# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bc8a23b6-6757-4b1e-9bc5-4840b5fe33ce/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 KB5(H2O3)4 / Aea2 (41) / materials id 706621](https://mdr.nims.go.jp/datasets/c925f29d-779b-4409-869d-070953f390e8) ## 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: "Aea2" number: 41 Hall_symbol: "A 2 -2ac"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.988357040000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.416578335000000, 4.532770715000000 ] # b - [ 0.000000000000000, -5.416578335000000, 4.532770715000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.486854800000000, 0.486854800000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.986854800000000, 0.986854800000000 ] mass: 39.098300 - symbol: B # 3 coordinates: [ 0.000000000000000, 0.896008500000000, 0.896008500000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.500000000000000, 0.396008500000000, 0.396008500000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.192184690000000, 0.706699650000000, 0.897994630000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.807815310000000, 0.897994630000000, 0.706699650000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.307815310000000, 0.206699650000000, 0.397994630000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.692184690000000, 0.397994630000000, 0.206699650000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.205899940000000, 0.050215000000000, 0.934642400000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.794100060000000, 0.934642400000000, 0.050215000000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.294100060000000, 0.550215000000000, 0.434642400000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.705899940000000, 0.434642400000000, 0.550215000000000 ] mass: 10.811000 - symbol: H # 13 coordinates: [ 0.988423570000000, 0.995305070000000, 0.517574810000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.011576430000000, 0.517574810000000, 0.995305070000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.511576430000000, 0.495305070000000, 0.017574810000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.488423570000000, 0.017574810000000, 0.495305070000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.978494130000000, 0.003635150000000, 0.289812030000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.021505870000000, 0.289812030000000, 0.003635150000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.521505870000000, 0.503635150000000, 0.789812030000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.478494130000000, 0.789812030000000, 0.503635150000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.153723960000000, 0.052045330000000, 0.396437890000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.846276040000000, 0.396437890000000, 0.052045330000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.346276040000000, 0.552045330000000, 0.896437890000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.653723960000000, 0.896437890000000, 0.552045330000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.251997550000000, 0.330284990000000, 0.941811410000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.748002450000000, 0.941811410000000, 0.330284990000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.248002450000000, 0.830284990000000, 0.441811410000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.751997550000000, 0.441811410000000, 0.830284990000000 ] mass: 1.007940 - symbol: O # 29 coordinates: [ 0.067753390000000, 0.712973430000000, 0.888014410000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.932246610000000, 0.888014410000000, 0.712973430000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.432246610000000, 0.212973430000000, 0.388014410000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.567753390000000, 0.388014410000000, 0.212973430000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.082079170000000, 0.064477180000000, 0.920033660000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.917920830000000, 0.920033660000000, 0.064477180000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.417920830000000, 0.564477180000000, 0.420033660000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.582079170000000, 0.420033660000000, 0.564477180000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.261478140000000, 0.872270060000000, 0.922989140000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.738521860000000, 0.922989140000000, 0.872270060000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.238521860000000, 0.372270060000000, 0.422989140000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.761478140000000, 0.422989140000000, 0.372270060000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.252040350000000, 0.535909620000000, 0.886311860000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.747959650000000, 0.886311860000000, 0.535909620000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.247959650000000, 0.035909620000000, 0.386311860000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.752040350000000, 0.386311860000000, 0.035909620000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.283627610000000, 0.201593340000000, 0.962442980000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.716372390000000, 0.962442980000000, 0.201593340000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.216372390000000, 0.701593340000000, 0.462442980000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.783627610000000, 0.462442980000000, 0.701593340000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.017356930000000, 0.064338460000000, 0.414324220000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.982643070000000, 0.414324220000000, 0.064338460000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.482643070000000, 0.564338460000000, 0.914324220000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.517356930000000, 0.914324220000000, 0.564338460000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.091005415674043, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.092309197629282, 0.110307807616517 ] # b* - [ 0.000000000000000, -0.092309197629282, 0.110307807616517 ] # c*unit_cell: lattice: - [ 10.988357040000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.833156669999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.065541430000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.486854800000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.986854800000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.986854800000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.486854800000000 ] mass: 39.098300 reduced_to: 2 - symbol: B # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.896008500000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.396008500000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.192184690000000, 0.904352510000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.807815310000000, 0.095647490000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.307815310000000, 0.904352510000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.692184690000000, 0.095647490000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.205899940000000, 0.557786300000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.794100060000000, 0.442213700000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.294100060000000, 0.057786300000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.705899940000000, 0.942213700000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.396008500000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.896008500000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 17 coordinates: [ 0.192184690000000, 0.404352510000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 18 coordinates: [ 0.807815310000000, 0.595647490000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 19 coordinates: [ 0.307815310000000, 0.404352510000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 20 coordinates: [ 0.692184690000000, 0.595647490000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 21 coordinates: [ 0.205899940000000, 0.057786300000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 22 coordinates: [ 0.794100060000000, 0.942213700000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 23 coordinates: [ 0.294100060000000, 0.557786300000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 24 coordinates: [ 0.705899940000000, 0.442213700000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 14 - symbol: H # 25 coordinates: [ 0.988423570000000, 0.738865130000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.011576430000000, 0.261134870000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.511576430000000, 0.238865130000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.488423570000000, 0.761134870000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.978494130000000, 0.856911560000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.021505870000000, 0.143088440000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.521505870000000, 0.856911560000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.478494130000000, 0.143088440000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.153723960000000, 0.827803720000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.846276040000000, 0.172196280000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 35 coordinates: [ 0.346276040000000, 0.827803720000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.653723960000000, 0.172196280000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 37 coordinates: [ 0.251997550000000, 0.694236790000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.748002450000000, 0.305763210000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 39 coordinates: [ 0.248002450000000, 0.194236790000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.751997550000000, 0.805763210000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 41 coordinates: [ 0.988423570000000, 0.238865130000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 42 coordinates: [ 0.011576430000000, 0.761134870000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 43 coordinates: [ 0.511576430000000, 0.738865130000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 44 coordinates: [ 0.488423570000000, 0.261134870000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 45 coordinates: [ 0.978494130000000, 0.356911560000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 46 coordinates: [ 0.021505870000000, 0.643088440000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 47 coordinates: [ 0.521505870000000, 0.356911560000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 48 coordinates: [ 0.478494130000000, 0.643088440000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 49 coordinates: [ 0.153723960000000, 0.327803720000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 50 coordinates: [ 0.846276040000000, 0.672196280000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 51 coordinates: [ 0.346276040000000, 0.327803720000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 52 coordinates: [ 0.653723960000000, 0.672196280000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 53 coordinates: [ 0.251997550000000, 0.194236790000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 54 coordinates: [ 0.748002450000000, 0.805763210000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 55 coordinates: [ 0.248002450000000, 0.694236790000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 56 coordinates: [ 0.751997550000000, 0.305763210000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 40 - symbol: O # 57 coordinates: [ 0.067753390000000, 0.912479510000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.932246610000000, 0.087520490000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.432246610000000, 0.912479510000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.567753390000000, 0.087520490000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.082079170000000, 0.572221760000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.917920830000000, 0.427778240000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.417920830000000, 0.072221760000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.582079170000000, 0.927778240000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.261478140000000, 0.974640460000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.738521860000000, 0.025359540000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.238521860000000, 0.974640460000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.761478140000000, 0.025359540000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.252040350000000, 0.824798880000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.747959650000000, 0.175201120000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.247959650000000, 0.824798880000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.752040350000000, 0.175201120000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.283627610000000, 0.619575180000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.716372390000000, 0.380424820000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.216372390000000, 0.119575180000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.783627610000000, 0.880424820000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.017356930000000, 0.825007120000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.982643070000000, 0.174992880000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.482643070000000, 0.825007120000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.517356930000000, 0.174992880000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.067753390000000, 0.412479510000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.932246610000000, 0.587520490000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 83 coordinates: [ 0.432246610000000, 0.412479510000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.567753390000000, 0.587520490000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 85 coordinates: [ 0.082079170000000, 0.072221760000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.917920830000000, 0.927778240000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 87 coordinates: [ 0.417920830000000, 0.572221760000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 88 coordinates: [ 0.582079170000000, 0.427778240000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 89 coordinates: [ 0.261478140000000, 0.474640460000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.738521860000000, 0.525359540000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 91 coordinates: [ 0.238521860000000, 0.474640460000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 92 coordinates: [ 0.761478140000000, 0.525359540000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 93 coordinates: [ 0.252040350000000, 0.324798880000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.747959650000000, 0.675201120000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 95 coordinates: [ 0.247959650000000, 0.324798880000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 96 coordinates: [ 0.752040350000000, 0.675201120000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 97 coordinates: [ 0.283627610000000, 0.119575180000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 98 coordinates: [ 0.716372390000000, 0.880424820000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 99 coordinates: [ 0.216372390000000, 0.619575180000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 100 coordinates: [ 0.783627610000000, 0.380424820000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 101 coordinates: [ 0.017356930000000, 0.325007120000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 102 coordinates: [ 0.982643070000000, 0.674992880000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 103 coordinates: [ 0.482643070000000, 0.325007120000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 104 coordinates: [ 0.517356930000000, 0.674992880000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 10.988357040000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.833156669999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.065541430000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.486854800000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.986854800000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.986854800000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.486854800000000 ] mass: 39.098300 reduced_to: 2 - symbol: B # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.896008500000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.396008500000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.192184690000000, 0.904352510000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.807815310000000, 0.095647490000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.307815310000000, 0.904352510000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.692184690000000, 0.095647490000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.205899940000000, 0.557786300000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.794100060000000, 0.442213700000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.294100060000000, 0.057786300000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.705899940000000, 0.942213700000000, 0.492428700000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.396008500000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.896008500000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 17 coordinates: [ 0.192184690000000, 0.404352510000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 18 coordinates: [ 0.807815310000000, 0.595647490000000, 0.302347140000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 19 coordinates: [ 0.307815310000000, 0.404352510000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 20 coordinates: [ 0.692184690000000, 0.595647490000000, 0.802347140000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 21 coordinates: [ 0.205899940000000, 0.057786300000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 22 coordinates: [ 0.794100060000000, 0.942213700000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 23 coordinates: [ 0.294100060000000, 0.557786300000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 24 coordinates: [ 0.705899940000000, 0.442213700000000, 0.992428700000000 ] mass: 10.811000 reduced_to: 14 - symbol: H # 25 coordinates: [ 0.988423570000000, 0.738865130000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.011576430000000, 0.261134870000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.511576430000000, 0.238865130000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.488423570000000, 0.761134870000000, 0.256439940000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.978494130000000, 0.856911560000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.021505870000000, 0.143088440000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.521505870000000, 0.856911560000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.478494130000000, 0.143088440000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.153723960000000, 0.827803720000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.846276040000000, 0.172196280000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 35 coordinates: [ 0.346276040000000, 0.827803720000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.653723960000000, 0.172196280000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 37 coordinates: [ 0.251997550000000, 0.694236790000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.748002450000000, 0.305763210000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 39 coordinates: [ 0.248002450000000, 0.194236790000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.751997550000000, 0.805763210000000, 0.636048200000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 41 coordinates: [ 0.988423570000000, 0.238865130000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 42 coordinates: [ 0.011576430000000, 0.761134870000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 43 coordinates: [ 0.511576430000000, 0.738865130000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 44 coordinates: [ 0.488423570000000, 0.261134870000000, 0.756439940000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 45 coordinates: [ 0.978494130000000, 0.356911560000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 46 coordinates: [ 0.021505870000000, 0.643088440000000, 0.646723590000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 47 coordinates: [ 0.521505870000000, 0.356911560000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 48 coordinates: [ 0.478494130000000, 0.643088440000000, 0.146723590000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 49 coordinates: [ 0.153723960000000, 0.327803720000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 50 coordinates: [ 0.846276040000000, 0.672196280000000, 0.724241610000000 ] mass: 1.007940 reduced_to: 34 - symbol: H # 51 coordinates: [ 0.346276040000000, 0.327803720000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 52 coordinates: [ 0.653723960000000, 0.672196280000000, 0.224241610000000 ] mass: 1.007940 reduced_to: 36 - symbol: H # 53 coordinates: [ 0.251997550000000, 0.194236790000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 54 coordinates: [ 0.748002450000000, 0.805763210000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 38 - symbol: H # 55 coordinates: [ 0.248002450000000, 0.694236790000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 56 coordinates: [ 0.751997550000000, 0.305763210000000, 0.136048200000000 ] mass: 1.007940 reduced_to: 40 - symbol: O # 57 coordinates: [ 0.067753390000000, 0.912479510000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.932246610000000, 0.087520490000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.432246610000000, 0.912479510000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.567753390000000, 0.087520490000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.082079170000000, 0.572221760000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.917920830000000, 0.427778240000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.417920830000000, 0.072221760000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.582079170000000, 0.927778240000000, 0.492255420000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.261478140000000, 0.974640460000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.738521860000000, 0.025359540000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.238521860000000, 0.974640460000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.761478140000000, 0.025359540000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.252040350000000, 0.824798880000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.747959650000000, 0.175201120000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.247959650000000, 0.824798880000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.752040350000000, 0.175201120000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.283627610000000, 0.619575180000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.716372390000000, 0.380424820000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.216372390000000, 0.119575180000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.783627610000000, 0.880424820000000, 0.582018160000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.017356930000000, 0.825007120000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.982643070000000, 0.174992880000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.482643070000000, 0.825007120000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.517356930000000, 0.174992880000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.067753390000000, 0.412479510000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.932246610000000, 0.587520490000000, 0.300493920000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 83 coordinates: [ 0.432246610000000, 0.412479510000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.567753390000000, 0.587520490000000, 0.800493920000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 85 coordinates: [ 0.082079170000000, 0.072221760000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.917920830000000, 0.927778240000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 87 coordinates: [ 0.417920830000000, 0.572221760000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 88 coordinates: [ 0.582079170000000, 0.427778240000000, 0.992255420000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 89 coordinates: [ 0.261478140000000, 0.474640460000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.738521860000000, 0.525359540000000, 0.397629600000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 91 coordinates: [ 0.238521860000000, 0.474640460000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 92 coordinates: [ 0.761478140000000, 0.525359540000000, 0.897629600000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 93 coordinates: [ 0.252040350000000, 0.324798880000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.747959650000000, 0.675201120000000, 0.211110740000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 95 coordinates: [ 0.247959650000000, 0.324798880000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 96 coordinates: [ 0.752040350000000, 0.675201120000000, 0.711110740000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 97 coordinates: [ 0.283627610000000, 0.119575180000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 98 coordinates: [ 0.716372390000000, 0.880424820000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 99 coordinates: [ 0.216372390000000, 0.619575180000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 100 coordinates: [ 0.783627610000000, 0.380424820000000, 0.082018160000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 101 coordinates: [ 0.017356930000000, 0.325007120000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 102 coordinates: [ 0.982643070000000, 0.674992880000000, 0.739331340000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 103 coordinates: [ 0.482643070000000, 0.325007120000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 104 coordinates: [ 0.517356930000000, 0.674992880000000, 0.239331340000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0350372900000000, -0.0019715100000000, 0.0001463600000000 ] - [ 0.0010051600000000, 0.0000519200000000, 0.0000713700000000 ] - [ -0.0004973800000000, -0.0000297500000000, 0.0000717300000000 ] - [ 0.0006157800000000, 0.0000251100000000, 0.0000716700000000 ] - [ -0.0041963800000000, 0.0015394500000000, -0.0003266900000000 ] - [ 0.0064972000000000, -0.0004497900000000, -0.0003209700000000 ] - [ -0.0003684400000000, -0.0002476000000000, 0.0032961300000000 ] - [ 0.0000695900000000, -0.0005676100000000, -0.0026407400000000 ] - [ 0.0059594000000000, -0.0035024100000000, -0.0043647200000000 ] - [ 0.0055292200000000, -0.0038055000000000, 0.0049725400000000 ] - [ -0.0009251700000000, -0.0004627200000000, -0.0002125500000000 ] - [ -0.0005864200000000, -0.0002586600000000, 0.0002784500000000 ] - [ 0.0114856200000000, 0.0019375100000000, 0.0003365100000000 ] - [ 0.0110556600000000, 0.0021076700000000, -0.0002617700000000 ] - [ -0.0015489300000000, 0.0000167200000000, -0.0003171600000000 ] - [ 0.0012686200000000, 0.0002187100000000, -0.0003158800000000 ] - [ -0.0010107700000000, 0.0006713300000000, 0.0001957900000000 ] - [ -0.0006001200000000, 0.0003499800000000, 0.0004388900000000 ] - [ 0.0015162000000000, 0.0008809000000000, 0.0010687100000000 ] - [ 0.0011188900000000, 0.0005601700000000, -0.0004325800000000 ] - [ -0.0013758700000000, 0.0003498800000000, 0.0001689300000000 ] - [ -0.0010295800000000, 0.0005529700000000, -0.0001035800000000 ] - [ 0.0009869300000000, -0.0001939800000000, -0.0000717100000000 ] - [ 0.0006624000000000, 0.0000083300000000, 0.0001408300000000 ] - [ -0.0005572800000000, -0.0002692700000000, 0.0005791700000000 ] - [ -0.0002361600000000, 0.0002298100000000, -0.0003469200000000 ] - [ 0.0006452400000000, -0.0007594200000000, 0.0002167400000000 ] - [ 0.0003209300000000, -0.0002555800000000, 0.0000138500000000 ] - [ -0.0007349700000000, 0.0008998200000000, 0.0001282500000000 ] - [ -0.0005051800000000, 0.0003561900000000, 0.0000478500000000 ] - [ 0.0009778100000000, 0.0007126800000000, -0.0006720400000000 ] - [ 0.0007439900000000, 0.0001705400000000, 0.0008439400000000 ] - [ -0.0019165500000000, -0.0010161400000000, -0.0012276100000000 ] - [ -0.0012133000000000, -0.0008089300000000, 0.0007148200000000 ] - [ 0.0022749700000000, -0.0002399300000000, -0.0001930100000000 ] - [ 0.0016020300000000, -0.0000362900000000, -0.0003162600000000 ] - [ 0.0002552200000000, -0.0009071200000000, 0.0000702300000000 ] - [ 0.0000792800000000, -0.0009617800000000, 0.0003486700000000 ] - [ 0.0002513600000000, 0.0026269900000000, 0.0017853600000000 ] - [ 0.0004140600000000, 0.0025557100000000, -0.0013589500000000 ] - [ -0.0010155300000000, -0.0007920000000000, 0.0003270900000000 ] - [ -0.0006908600000000, -0.0002777100000000, -0.0001001200000000 ] - [ 0.0003905700000000, -0.0003393900000000, 0.0001637500000000 ] - [ 0.0000645500000000, 0.0001712400000000, 0.0000692400000000 ] - [ -0.0005268000000000, 0.0003526400000000, -0.0001249200000000 ] - [ -0.0002934100000000, -0.0001890800000000, 0.0002925000000000 ] - [ 0.0002859400000000, 0.0003146600000000, 0.0000203800000000 ] - [ 0.0000497800000000, -0.0002315000000000, 0.0001459200000000 ] - [ -0.0013263000000000, 0.0002107900000000, -0.0000071700000000 ] - [ -0.0006422500000000, 0.0004133600000000, -0.0005019300000000 ] - [ 0.0011157900000000, -0.0000336800000000, -0.0002890400000000 ] - [ 0.0004454600000000, 0.0001682400000000, -0.0002214100000000 ] - [ 0.0000834100000000, 0.0004823100000000, 0.0000372200000000 ] - [ -0.0000919700000000, 0.0004206200000000, 0.0003812800000000 ] - [ -0.0001719400000000, -0.0009485600000000, -0.0003022900000000 ] - [ 0.0000074200000000, -0.0010021300000000, 0.0007188700000000 ] - [ 0.0025810700000000, -0.0003520500000000, -0.0012898200000000 ] - [ 0.0023212300000000, -0.0001264400000000, 0.0012700700000000 ] - [ -0.0045573300000000, 0.0000063100000000, 0.0002735700000000 ] - [ -0.0043211300000000, 0.0002245600000000, -0.0003080400000000 ] - [ 0.0008656600000000, 0.0004454600000000, 0.0001196200000000 ] - [ 0.0010644100000000, 0.0001460900000000, -0.0000745800000000 ] - [ -0.0059722700000000, 0.0003263700000000, 0.0005409100000000 ] - [ -0.0061694000000000, 0.0000284000000000, -0.0004971100000000 ] - [ 0.0005310600000000, -0.0006566000000000, -0.0009801200000000 ] - [ -0.0001565000000000, -0.0001146300000000, 0.0005008100000000 ] - [ 0.0040195100000000, 0.0002366300000000, -0.0006686500000000 ] - [ 0.0042748100000000, 0.0008207500000000, 0.0000530300000000 ] - [ -0.0011957100000000, 0.0010918500000000, -0.0011616300000000 ] - [ -0.0012690200000000, 0.0006675500000000, 0.0012111000000000 ] - [ 0.0004697400000000, 0.0020127800000000, 0.0017772800000000 ] - [ 0.0005170100000000, 0.0015754800000000, -0.0016980400000000 ] - [ -0.0003190700000000, 0.0006238100000000, 0.0005338700000000 ] - [ 0.0004039200000000, 0.0007723000000000, 0.0000514500000000 ] - [ 0.0018416500000000, 0.0000016600000000, 0.0003004300000000 ] - [ 0.0009331700000000, 0.0000627600000000, 0.0003373800000000 ] - [ 0.0021928300000000, 0.0003626600000000, -0.0007820700000000 ] - [ 0.0025423500000000, -0.0008968600000000, -0.0001658500000000 ] - [ -0.0013329500000000, 0.0004870900000000, -0.0001415200000000 ] - [ -0.0016913200000000, -0.0007785300000000, -0.0008044200000000 ] - [ 0.0009956900000000, -0.0002521000000000, 0.0000036800000000 ] - [ 0.0007518500000000, -0.0000361800000000, -0.0000410700000000 ] - [ -0.0011183900000000, -0.0003759800000000, -0.0002446200000000 ] - [ -0.0008826600000000, -0.0001542100000000, 0.0002056500000000 ] - [ 0.0016363300000000, -0.0001423900000000, 0.0001279500000000 ] - [ 0.0018280400000000, -0.0004438700000000, -0.0000840500000000 ] - [ -0.0006874300000000, 0.0002222100000000, 0.0001171200000000 ] - [ -0.0008946500000000, -0.0000797300000000, -0.0000728900000000 ] - [ 0.0005462200000000, -0.0003080600000000, -0.0000958700000000 ] - [ -0.0001346000000000, 0.0002359000000000, -0.0003812300000000 ] - [ -0.0005309700000000, -0.0005592500000000, -0.0005605800000000 ] - [ 0.0001430600000000, -0.0000143000000000, 0.0000810600000000 ] - [ -0.0001503000000000, -0.0003328300000000, 0.0001013000000000 ] - [ -0.0002209800000000, -0.0007494700000000, -0.0000379300000000 ] - [ -0.0002140000000000, -0.0017524200000000, -0.0011255500000000 ] - [ -0.0001531600000000, -0.0021643300000000, 0.0011845000000000 ] - [ -0.0003025000000000, -0.0004683900000000, 0.0007446900000000 ] - [ 0.0004186200000000, -0.0003141100000000, -0.0001560700000000 ] - [ 0.0003125100000000, 0.0005912200000000, 0.0006894000000000 ] - [ -0.0004181800000000, 0.0007418100000000, -0.0001052600000000 ] - [ 0.0009535800000000, 0.0006798700000000, -0.0006771200000000 ] - [ 0.0013068300000000, -0.0005868300000000, -0.0002631700000000 ] - [ -0.0005398300000000, 0.0008780700000000, -0.0004964100000000 ] - [ -0.0008985000000000, -0.0003802500000000, -0.0004442100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019708800000000, -0.0103372000000000, 0.0001194300000000 ] - [ -0.0000518000000000, -0.0003324800000000, 0.0000719900000000 ] - [ -0.0000299500000000, 0.0008759100000000, 0.0000722400000000 ] - [ -0.0000249200000000, 0.0003645600000000, 0.0000716600000000 ] - [ 0.0011845800000000, -0.0039846700000000, -0.0003256300000000 ] - [ 0.0004079400000000, -0.0014585800000000, -0.0003153300000000 ] - [ -0.0019168000000000, -0.0013431400000000, -0.0011018200000000 ] - [ -0.0014996400000000, -0.0016723900000000, 0.0017343600000000 ] - [ -0.0010464500000000, -0.0012214800000000, -0.0004092300000000 ] - [ -0.0014389400000000, -0.0015601900000000, 0.0010585000000000 ] - [ -0.0011130600000000, 0.0013437000000000, 0.0006617700000000 ] - [ -0.0008013200000000, 0.0015476800000000, -0.0005918700000000 ] - [ 0.0030190000000000, -0.0040029300000000, -0.0028290500000000 ] - [ 0.0027129200000000, -0.0037817900000000, 0.0028920800000000 ] - [ 0.0001567000000000, 0.0031509100000000, -0.0003202200000000 ] - [ 0.0001679300000000, 0.0007466700000000, -0.0003162000000000 ] - [ 0.0008301300000000, 0.0014242400000000, 0.0006417700000000 ] - [ 0.0012179000000000, 0.0011066900000000, -0.0000137500000000 ] - [ 0.0007686700000000, 0.0012396500000000, 0.0010926500000000 ] - [ 0.0003674500000000, 0.0009209000000000, -0.0004577300000000 ] - [ 0.0005480300000000, -0.0012364200000000, -0.0005069300000000 ] - [ 0.0008784400000000, -0.0010309100000000, 0.0005738000000000 ] - [ 0.0000286900000000, 0.0006866200000000, 0.0005381800000000 ] - [ -0.0003006200000000, 0.0008876100000000, -0.0004690200000000 ] - [ 0.0000047000000000, 0.0017366900000000, 0.0009450400000000 ] - [ 0.0003271600000000, 0.0022509700000000, -0.0007333200000000 ] - [ 0.0001276200000000, -0.0002995900000000, 0.0000972500000000 ] - [ -0.0001981600000000, 0.0002114200000000, 0.0001359700000000 ] - [ 0.0005170800000000, -0.0009004200000000, 0.0016942000000000 ] - [ 0.0007531700000000, -0.0014495500000000, -0.0015316000000000 ] - [ 0.0002481600000000, 0.0001581900000000, 0.0001330900000000 ] - [ 0.0000114800000000, -0.0003889100000000, 0.0000321700000000 ] - [ -0.0030450000000000, -0.0000882500000000, 0.0006405200000000 ] - [ -0.0023795500000000, 0.0001107500000000, -0.0011550400000000 ] - [ -0.0003395900000000, -0.0001686000000000, -0.0001448500000000 ] - [ -0.0010138700000000, 0.0000342500000000, -0.0003658500000000 ] - [ -0.0002754200000000, 0.0006015300000000, 0.0001889500000000 ] - [ -0.0004546000000000, 0.0005382300000000, 0.0002349600000000 ] - [ 0.0004545300000000, 0.0008999500000000, 0.0006999500000000 ] - [ 0.0006204900000000, 0.0008519900000000, -0.0002832200000000 ] - [ -0.0005337400000000, 0.0000505900000000, 0.0014616000000000 ] - [ -0.0002031100000000, 0.0005670000000000, -0.0012158600000000 ] - [ 0.0001820200000000, -0.0000953100000000, 0.0000588000000000 ] - [ -0.0001427700000000, 0.0004105500000000, 0.0001733400000000 ] - [ -0.0005433700000000, 0.0015017400000000, -0.0000374100000000 ] - [ -0.0003057100000000, 0.0009493500000000, 0.0002093800000000 ] - [ 0.0001374800000000, 0.0003987200000000, -0.0000285100000000 ] - [ -0.0000976300000000, -0.0001462900000000, 0.0001963900000000 ] - [ 0.0006458100000000, 0.0003122000000000, -0.0000485900000000 ] - [ 0.0013095900000000, 0.0005143600000000, -0.0004592200000000 ] - [ 0.0006537900000000, -0.0000824300000000, -0.0002582200000000 ] - [ -0.0000236900000000, 0.0001213300000000, -0.0002513700000000 ] - [ 0.0003564300000000, -0.0000889700000000, -0.0000641900000000 ] - [ 0.0001784400000000, -0.0001432500000000, 0.0004815800000000 ] - [ -0.0002082500000000, 0.0005110900000000, 0.0004820500000000 ] - [ -0.0000318000000000, 0.0004486100000000, -0.0000615000000000 ] - [ 0.0001929300000000, 0.0018311900000000, 0.0011890000000000 ] - [ -0.0000544300000000, 0.0020636600000000, -0.0012083800000000 ] - [ 0.0003190300000000, 0.0004738700000000, 0.0002898300000000 ] - [ 0.0005512900000000, 0.0006980900000000, -0.0003319800000000 ] - [ 0.0001324300000000, -0.0016336400000000, -0.0004583700000000 ] - [ 0.0003452400000000, -0.0019418400000000, 0.0005025000000000 ] - [ -0.0010907700000000, 0.0011118900000000, 0.0009171100000000 ] - [ -0.0013038000000000, 0.0008087600000000, -0.0008718900000000 ] - [ 0.0006664800000000, 0.0010862300000000, 0.0005476200000000 ] - [ -0.0000121900000000, 0.0016284400000000, -0.0010242600000000 ] - [ -0.0011035400000000, 0.0025093900000000, 0.0013390100000000 ] - [ -0.0004146500000000, 0.0030468600000000, -0.0018145400000000 ] - [ 0.0010944800000000, 0.0003168300000000, 0.0005800500000000 ] - [ 0.0010283000000000, -0.0000969500000000, -0.0005194200000000 ] - [ 0.0017942700000000, 0.0007490800000000, 0.0000808200000000 ] - [ 0.0018653000000000, 0.0003371200000000, -0.0000199200000000 ] - [ -0.0001454500000000, -0.0008057100000000, 0.0001109800000000 ] - [ 0.0005868200000000, -0.0006492500000000, 0.0004677400000000 ] - [ 0.0003033200000000, 0.0028415600000000, 0.0016546000000000 ] - [ -0.0004832500000000, 0.0029564100000000, -0.0010440200000000 ] - [ 0.0006209600000000, 0.0021781200000000, -0.0012829300000000 ] - [ 0.0009784000000000, 0.0009833900000000, 0.0002714500000000 ] - [ 0.0004662800000000, 0.0006712600000000, -0.0004344200000000 ] - [ 0.0001097100000000, -0.0005880500000000, -0.0005076400000000 ] - [ -0.0001777300000000, -0.0020098500000000, -0.0002949900000000 ] - [ -0.0004098300000000, -0.0017897000000000, 0.0002637600000000 ] - [ -0.0005206900000000, -0.0006128900000000, -0.0002535800000000 ] - [ -0.0002816600000000, -0.0003933700000000, 0.0002150800000000 ] - [ -0.0007161900000000, 0.0016945700000000, 0.0010060000000000 ] - [ -0.0005142300000000, 0.0013905500000000, -0.0009585500000000 ] - [ 0.0001601000000000, -0.0001998200000000, -0.0001598700000000 ] - [ -0.0000438300000000, -0.0005003300000000, 0.0002037500000000 ] - [ 0.0003281200000000, -0.0013360100000000, -0.0010321000000000 ] - [ -0.0003425000000000, -0.0007937100000000, 0.0005563800000000 ] - [ -0.0003575000000000, -0.0010845800000000, -0.0007780300000000 ] - [ 0.0003200200000000, -0.0005404400000000, 0.0002994800000000 ] - [ -0.0003951900000000, -0.0001746200000000, 0.0001207600000000 ] - [ -0.0004542100000000, -0.0005997900000000, -0.0000523500000000 ] - [ -0.0009748300000000, -0.0008655500000000, -0.0005939800000000 ] - [ -0.0009039700000000, -0.0012918700000000, 0.0006585500000000 ] - [ -0.0005293900000000, 0.0003609400000000, 0.0006372600000000 ] - [ 0.0001970900000000, 0.0005104200000000, -0.0000530100000000 ] - [ 0.0006262200000000, -0.0008171800000000, -0.0000810600000000 ] - [ -0.0000999800000000, -0.0006614200000000, 0.0006643500000000 ] - [ -0.0001223400000000, -0.0005369000000000, -0.0013076100000000 ] - [ 0.0002348900000000, -0.0017963200000000, 0.0003521200000000 ] - [ 0.0000301100000000, 0.0005367800000000, -0.0004105800000000 ] - [ -0.0003253600000000, -0.0007265700000000, -0.0005328700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0140600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014323200000000 ] - [ 0.0055244300000000, -0.0004578000000000, 0.0024371200000000 ] - [ -0.0055244300000000, 0.0004578000000000, 0.0024371200000000 ] - [ -0.0019512200000000, 0.0001333800000000, 0.0004696900000000 ] - [ 0.0019512200000000, -0.0001333800000000, 0.0004696900000000 ] - [ -0.0004168400000000, -0.0004147700000000, -0.0007178600000000 ] - [ 0.0004168400000000, 0.0004147700000000, -0.0007178600000000 ] - [ 0.0007475100000000, -0.0028510300000000, -0.0043444000000000 ] - [ -0.0007475100000000, 0.0028510300000000, -0.0043444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016937500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513200000000 ] - [ -0.0011281400000000, -0.0002587100000000, -0.0000657600000000 ] - [ 0.0011281400000000, 0.0002587100000000, -0.0000657600000000 ] - [ 0.0004629000000000, 0.0006397400000000, 0.0008364200000000 ] - [ -0.0004629000000000, -0.0006397400000000, 0.0008364200000000 ] - [ -0.0003931900000000, 0.0011345700000000, 0.0023254300000000 ] - [ 0.0003931900000000, -0.0011345700000000, 0.0023254300000000 ] - [ -0.0000426100000000, 0.0002526700000000, 0.0007287700000000 ] - [ 0.0000426100000000, -0.0002526700000000, 0.0007287700000000 ] - [ 0.0002009400000000, 0.0014982000000000, -0.0004352800000000 ] - [ -0.0002009400000000, -0.0014982000000000, -0.0004352800000000 ] - [ 0.0002836700000000, -0.0003952300000000, 0.0001309300000000 ] - [ -0.0002836700000000, 0.0003952300000000, 0.0001309300000000 ] - [ 0.0004973300000000, 0.0002756300000000, 0.0032241400000000 ] - [ -0.0004973300000000, -0.0002756300000000, 0.0032241400000000 ] - [ 0.0001235200000000, 0.0004027300000000, -0.0002507800000000 ] - [ -0.0001235200000000, -0.0004027300000000, -0.0002507800000000 ] - [ -0.0032883700000000, 0.0005875800000000, 0.0005648300000000 ] - [ 0.0032883700000000, -0.0005875800000000, 0.0005648300000000 ] - [ 0.0013958100000000, -0.0000610000000000, -0.0002950700000000 ] - [ -0.0013958100000000, 0.0000610000000000, -0.0002950700000000 ] - [ 0.0002906900000000, -0.0008177300000000, -0.0003284900000000 ] - [ -0.0002906900000000, 0.0008177300000000, -0.0003284900000000 ] - [ 0.0001922800000000, 0.0004486400000000, 0.0004692500000000 ] - [ -0.0001922800000000, -0.0004486400000000, 0.0004692500000000 ] - [ -0.0000293700000000, 0.0014893200000000, 0.0006711400000000 ] - [ 0.0000293700000000, -0.0014893200000000, 0.0006711400000000 ] - [ 0.0001526800000000, -0.0003984200000000, 0.0001842200000000 ] - [ -0.0001526800000000, 0.0003984200000000, 0.0001842200000000 ] - [ -0.0004519400000000, 0.0007887800000000, -0.0006332400000000 ] - [ 0.0004519400000000, -0.0007887800000000, -0.0006332400000000 ] - [ 0.0001018100000000, 0.0001979000000000, 0.0002512600000000 ] - [ -0.0001018100000000, -0.0001979000000000, 0.0002512600000000 ] - [ 0.0003934500000000, 0.0001373400000000, -0.0002363900000000 ] - [ -0.0003934500000000, -0.0001373400000000, -0.0002363900000000 ] - [ 0.0001194600000000, -0.0000702800000000, -0.0002694200000000 ] - [ -0.0001194600000000, 0.0000702800000000, -0.0002694200000000 ] - [ -0.0002150400000000, 0.0000430100000000, 0.0005774700000000 ] - [ 0.0002150400000000, -0.0000430100000000, 0.0005774700000000 ] - [ -0.0001570300000000, 0.0007003900000000, 0.0006789500000000 ] - [ 0.0001570300000000, -0.0007003900000000, 0.0006789500000000 ] - [ -0.0014685200000000, 0.0003631800000000, -0.0023402100000000 ] - [ 0.0014685200000000, -0.0003631800000000, -0.0023402100000000 ] - [ 0.0009246700000000, 0.0001052500000000, 0.0001680500000000 ] - [ -0.0009246700000000, -0.0001052500000000, 0.0001680500000000 ] - [ 0.0000519500000000, 0.0004056200000000, 0.0009335400000000 ] - [ -0.0000519500000000, -0.0004056200000000, 0.0009335400000000 ] - [ -0.0001429300000000, 0.0009225600000000, 0.0011063800000000 ] - [ 0.0001429300000000, -0.0009225600000000, 0.0011063800000000 ] - [ -0.0007433800000000, -0.0017219400000000, -0.0019802400000000 ] - [ 0.0007433800000000, 0.0017219400000000, -0.0019802400000000 ] - [ -0.0016929500000000, 0.0009857600000000, 0.0026041000000000 ] - [ 0.0016929500000000, -0.0009857600000000, 0.0026041000000000 ] - [ -0.0020300800000000, 0.0012275600000000, 0.0004314800000000 ] - [ 0.0020300800000000, -0.0012275600000000, 0.0004314800000000 ] - [ 0.0018134300000000, -0.0000134400000000, -0.0002719300000000 ] - [ -0.0018134300000000, 0.0000134400000000, -0.0002719300000000 ] - [ -0.0003053400000000, 0.0004914800000000, 0.0009316200000000 ] - [ 0.0003053400000000, -0.0004914800000000, 0.0009316200000000 ] - [ 0.0003099400000000, 0.0012026900000000, 0.0030104200000000 ] - [ -0.0003099400000000, -0.0012026900000000, 0.0030104200000000 ] - [ 0.0006114100000000, 0.0002186400000000, 0.0001062300000000 ] - [ -0.0006114100000000, -0.0002186400000000, 0.0001062300000000 ] - [ -0.0003558100000000, 0.0006585100000000, -0.0003684300000000 ] - [ 0.0003558100000000, -0.0006585100000000, -0.0003684300000000 ] - [ 0.0006274700000000, 0.0009588300000000, 0.0005227300000000 ] - [ -0.0006274700000000, -0.0009588300000000, 0.0005227300000000 ] - [ -0.0002926400000000, -0.0003218800000000, -0.0002303700000000 ] - [ 0.0002926400000000, 0.0003218800000000, -0.0002303700000000 ] - [ -0.0004769100000000, -0.0009639800000000, -0.0033911700000000 ] - [ 0.0004769100000000, 0.0009639800000000, -0.0033911700000000 ] - [ 0.0002417700000000, 0.0000323500000000, -0.0003055400000000 ] - [ -0.0002417700000000, -0.0000323500000000, -0.0003055400000000 ] - [ 0.0005850400000000, 0.0001028100000000, 0.0003487200000000 ] - [ -0.0005850400000000, -0.0001028100000000, 0.0003487200000000 ] - [ -0.0003645400000000, -0.0006320000000000, -0.0007828200000000 ] - [ 0.0003645400000000, 0.0006320000000000, -0.0007828200000000 ] - [ 0.0004628600000000, 0.0003127800000000, -0.0000747100000000 ] - [ -0.0004628600000000, -0.0003127800000000, -0.0000747100000000 ] - [ -0.0006225600000000, -0.0003446500000000, -0.0002355100000000 ] - [ 0.0006225600000000, 0.0003446500000000, -0.0002355100000000 ] - [ -0.0004766200000000, -0.0004816600000000, -0.0008589300000000 ] - [ 0.0004766200000000, 0.0004816600000000, -0.0008589300000000 ] - [ 0.0005654500000000, -0.0006269900000000, -0.0003979700000000 ] - [ -0.0005654500000000, 0.0006269900000000, -0.0003979700000000 ] - [ -0.0003670300000000, -0.0006464100000000, -0.0004131600000000 ] - [ 0.0003670300000000, 0.0006464100000000, -0.0004131600000000 ] - [ 0.0002367200000000, 0.0007550300000000, -0.0005340600000000 ] - [ -0.0002367200000000, -0.0007550300000000, -0.0005340600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0142147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008045100000000 ] - [ -0.0058785300000000, 0.0007581300000000, -0.0017988800000000 ] - [ 0.0058785300000000, -0.0007581300000000, -0.0017988800000000 ] - [ 0.0023502800000000, 0.0002025600000000, 0.0001915500000000 ] - [ -0.0023502800000000, -0.0002025600000000, 0.0001915500000000 ] - [ 0.0000863900000000, 0.0002130500000000, 0.0007856500000000 ] - [ -0.0000863900000000, -0.0002130500000000, 0.0007856500000000 ] - [ -0.0004550600000000, 0.0026418900000000, 0.0044088200000000 ] - [ 0.0004550600000000, -0.0026418900000000, 0.0044088200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007853000000000 ] - [ 0.0007283400000000, 0.0005782400000000, 0.0007030800000000 ] - [ -0.0007283400000000, -0.0005782400000000, 0.0007030800000000 ] - [ -0.0000650700000000, -0.0003220400000000, -0.0002051400000000 ] - [ 0.0000650700000000, 0.0003220400000000, -0.0002051400000000 ] - [ 0.0000872000000000, -0.0013335900000000, -0.0022534300000000 ] - [ -0.0000872000000000, 0.0013335900000000, -0.0022534300000000 ] - [ 0.0003712800000000, -0.0004562500000000, -0.0006608600000000 ] - [ -0.0003712800000000, 0.0004562500000000, -0.0006608600000000 ] - [ -0.0005253900000000, -0.0020145100000000, 0.0006671800000000 ] - [ 0.0005253900000000, 0.0020145100000000, 0.0006671800000000 ] - [ 0.0000419400000000, -0.0001142300000000, 0.0001025500000000 ] - [ -0.0000419400000000, 0.0001142300000000, 0.0001025500000000 ] - [ -0.0007294600000000, 0.0002472500000000, -0.0030707500000000 ] - [ 0.0007294600000000, -0.0002472500000000, -0.0030707500000000 ] - [ 0.0001137000000000, 0.0001446700000000, 0.0004142600000000 ] - [ -0.0001137000000000, -0.0001446700000000, 0.0004142600000000 ] - [ 0.0026298400000000, -0.0007982100000000, -0.0010750700000000 ] - [ -0.0026298400000000, 0.0007982100000000, -0.0010750700000000 ] - [ -0.0007155400000000, -0.0001412800000000, -0.0002151700000000 ] - [ 0.0007155400000000, 0.0001412800000000, -0.0002151700000000 ] - [ -0.0001135800000000, 0.0008729200000000, 0.0007437400000000 ] - [ 0.0001135800000000, -0.0008729200000000, 0.0007437400000000 ] - [ -0.0003643400000000, -0.0003976500000000, -0.0000585200000000 ] - [ 0.0003643400000000, 0.0003976500000000, -0.0000585200000000 ] - [ -0.0002935900000000, -0.0019788600000000, -0.0004416200000000 ] - [ 0.0002935900000000, 0.0019788600000000, -0.0004416200000000 ] - [ 0.0001726500000000, -0.0001097800000000, 0.0000478900000000 ] - [ -0.0001726500000000, 0.0001097800000000, 0.0000478900000000 ] - [ 0.0002155800000000, -0.0002442400000000, 0.0007958100000000 ] - [ -0.0002155800000000, 0.0002442400000000, 0.0007958100000000 ] - [ 0.0001334300000000, 0.0003476100000000, -0.0000831900000000 ] - [ -0.0001334300000000, -0.0003476100000000, -0.0000831900000000 ] - [ -0.0010622500000000, -0.0003397500000000, -0.0002753600000000 ] - [ 0.0010622500000000, 0.0003397500000000, -0.0002753600000000 ] - [ 0.0005555600000000, -0.0001325800000000, -0.0002398300000000 ] - [ -0.0005555600000000, 0.0001325800000000, -0.0002398300000000 ] - [ 0.0003932600000000, 0.0000221000000000, -0.0001545000000000 ] - [ -0.0003932600000000, -0.0000221000000000, -0.0001545000000000 ] - [ -0.0000198200000000, -0.0006419800000000, -0.0002589100000000 ] - [ 0.0000198200000000, 0.0006419800000000, -0.0002589100000000 ] - [ 0.0017131200000000, -0.0005935700000000, 0.0023806200000000 ] - [ -0.0017131200000000, 0.0005935700000000, 0.0023806200000000 ] - [ -0.0011565500000000, -0.0003298400000000, -0.0002137400000000 ] - [ 0.0011565500000000, 0.0003298400000000, -0.0002137400000000 ] - [ -0.0002565000000000, -0.0001063200000000, -0.0008881800000000 ] - [ 0.0002565000000000, 0.0001063200000000, -0.0008881800000000 ] - [ 0.0003596600000000, -0.0006202600000000, -0.0010614900000000 ] - [ -0.0003596600000000, 0.0006202600000000, -0.0010614900000000 ] - [ 0.0014084200000000, 0.0011792100000000, 0.0015007300000000 ] - [ -0.0014084200000000, -0.0011792100000000, 0.0015007300000000 ] - [ 0.0010576100000000, -0.0015393800000000, -0.0030885500000000 ] - [ -0.0010576100000000, 0.0015393800000000, -0.0030885500000000 ] - [ 0.0020793800000000, -0.0007965000000000, -0.0003556000000000 ] - [ -0.0020793800000000, 0.0007965000000000, -0.0003556000000000 ] - [ -0.0018885700000000, 0.0004312800000000, 0.0003258700000000 ] - [ 0.0018885700000000, -0.0004312800000000, 0.0003258700000000 ] - [ -0.0004213300000000, -0.0006424600000000, -0.0003453500000000 ] - [ 0.0004213300000000, 0.0006424600000000, -0.0003453500000000 ] - [ 0.0004415200000000, -0.0013397200000000, -0.0024129200000000 ] - [ -0.0004415200000000, 0.0013397200000000, -0.0024129200000000 ] - [ -0.0009696100000000, 0.0009617900000000, -0.0011590400000000 ] - [ 0.0009696100000000, -0.0009617900000000, -0.0011590400000000 ] - [ 0.0007089200000000, 0.0006032400000000, -0.0005721300000000 ] - [ -0.0007089200000000, -0.0006032400000000, -0.0005721300000000 ] - [ -0.0003904400000000, -0.0011815500000000, -0.0005636400000000 ] - [ 0.0003904400000000, 0.0011815500000000, -0.0005636400000000 ] - [ 0.0000562100000000, 0.0001016100000000, 0.0001926700000000 ] - [ -0.0000562100000000, -0.0001016100000000, 0.0001926700000000 ] - [ 0.0002603300000000, 0.0012593000000000, 0.0034323500000000 ] - [ -0.0002603300000000, -0.0012593000000000, 0.0034323500000000 ] - [ -0.0000373600000000, 0.0002693700000000, 0.0003501300000000 ] - [ 0.0000373600000000, -0.0002693700000000, 0.0003501300000000 ] - [ 0.0000913500000000, -0.0006469000000000, -0.0008281800000000 ] - [ -0.0000913500000000, 0.0006469000000000, -0.0008281800000000 ] - [ -0.0003123800000000, 0.0000895100000000, 0.0003063500000000 ] - [ 0.0003123800000000, -0.0000895100000000, 0.0003063500000000 ] - [ -0.0003979500000000, 0.0001047400000000, 0.0001356100000000 ] - [ 0.0003979500000000, -0.0001047400000000, 0.0001356100000000 ] - [ 0.0005559700000000, 0.0007706000000000, 0.0003040300000000 ] - [ -0.0005559700000000, -0.0007706000000000, 0.0003040300000000 ] - [ -0.0002589900000000, 0.0003215800000000, 0.0014363600000000 ] - [ 0.0002589900000000, -0.0003215800000000, 0.0014363600000000 ] - [ 0.0001610700000000, 0.0004754000000000, 0.0009813200000000 ] - [ -0.0001610700000000, -0.0004754000000000, 0.0009813200000000 ] - [ 0.0000068600000000, 0.0018995300000000, -0.0005237300000000 ] - [ -0.0000068600000000, -0.0018995300000000, -0.0005237300000000 ] - [ 0.0001194900000000, 0.0005070600000000, -0.0004102300000000 ] - [ -0.0001194900000000, -0.0005070600000000, -0.0004102300000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041968100000000, 0.0011852100000000, 0.0000768100000000 ] - [ 0.0064979000000000, -0.0004074100000000, 0.0000738000000000 ] - [ -0.0015494500000000, 0.0001573000000000, 0.0000712200000000 ] - [ 0.0012690800000000, -0.0001674900000000, 0.0000716100000000 ] - [ -0.3477396000000000, 0.0013660800000000, -0.0013942000000000 ] - [ 0.0046690700000000, 0.0000558200000000, -0.0003175200000000 ] - [ 0.0363373300000000, -0.0192048000000000, -0.0172433800000000 ] - [ 0.0364981100000000, -0.0191288700000000, 0.0175366800000000 ] - [ 0.0035330900000000, -0.0010883500000000, 0.0009994100000000 ] - [ 0.0031341400000000, -0.0014117200000000, -0.0003623200000000 ] - [ -0.0022430100000000, -0.0008494700000000, -0.0008734500000000 ] - [ -0.0019146200000000, -0.0006480700000000, 0.0009434000000000 ] - [ 0.0040072600000000, 0.0000964700000000, -0.0012414400000000 ] - [ 0.0036785900000000, 0.0003056100000000, 0.0013053200000000 ] - [ -0.0042922700000000, 0.0006114700000000, -0.0003158700000000 ] - [ 0.0024419300000000, -0.0001845500000000, -0.0003167000000000 ] - [ -0.0023809300000000, 0.0017556700000000, 0.0017817300000000 ] - [ -0.0019810500000000, 0.0014356800000000, -0.0011479000000000 ] - [ 0.0022534500000000, 0.0005552100000000, -0.0000374500000000 ] - [ 0.0018553200000000, 0.0002335900000000, 0.0006733800000000 ] - [ 0.0452697600000000, 0.0102643200000000, 0.0161623700000000 ] - [ 0.0451616600000000, 0.0101446400000000, -0.0156855600000000 ] - [ 0.0019745900000000, -0.0005487400000000, -0.0000063500000000 ] - [ 0.0016488200000000, -0.0003452600000000, 0.0000733800000000 ] - [ 0.0001024700000000, 0.0009134300000000, -0.0001355100000000 ] - [ 0.0004315500000000, 0.0014261800000000, 0.0003659700000000 ] - [ 0.0009791700000000, -0.0007610400000000, 0.0004758400000000 ] - [ 0.0006550200000000, -0.0002552200000000, -0.0002440300000000 ] - [ -0.0103010400000000, 0.0059398500000000, -0.0118930300000000 ] - [ -0.0100616100000000, 0.0054024900000000, 0.0120616200000000 ] - [ 0.0011613900000000, 0.0011372300000000, -0.0007387900000000 ] - [ 0.0009269300000000, 0.0005930700000000, 0.0009062500000000 ] - [ -0.0053229900000000, -0.0012426200000000, 0.0009454400000000 ] - [ -0.0046451200000000, -0.0010389400000000, -0.0014538500000000 ] - [ 0.0068752200000000, -0.0007159700000000, -0.0003039100000000 ] - [ 0.0062059600000000, -0.0005035400000000, -0.0002167500000000 ] - [ 0.0007124100000000, -0.0039235100000000, -0.0020688700000000 ] - [ 0.0005374500000000, -0.0039868000000000, 0.0024910500000000 ] - [ 0.0002457900000000, 0.0015984700000000, 0.0001123000000000 ] - [ 0.0004218400000000, 0.0015325300000000, 0.0003069400000000 ] - [ -0.0073985600000000, -0.0111867000000000, 0.0013179300000000 ] - [ -0.0070590700000000, -0.0106677300000000, -0.0010860600000000 ] - [ 0.0007825300000000, -0.0008915600000000, 0.0005868400000000 ] - [ 0.0004571300000000, -0.0003820600000000, -0.0003538800000000 ] - [ 0.0001319100000000, -0.0003784100000000, 0.0011371700000000 ] - [ 0.0003691000000000, -0.0009212800000000, -0.0009708400000000 ] - [ 0.0007035900000000, 0.0006209200000000, -0.0003631900000000 ] - [ 0.0004683400000000, 0.0000755800000000, 0.0005304900000000 ] - [ -0.0043063500000000, 0.0004514600000000, -0.0005623100000000 ] - [ -0.0036268400000000, 0.0006532200000000, 0.0000528200000000 ] - [ 0.0024540600000000, 0.0001994700000000, 0.0000054300000000 ] - [ 0.0017804200000000, 0.0004024600000000, -0.0005153700000000 ] - [ 0.0002781800000000, 0.0046245700000000, 0.0034351600000000 ] - [ 0.0001111400000000, 0.0045668500000000, -0.0030168600000000 ] - [ -0.0001111200000000, -0.0007379000000000, 0.0003877100000000 ] - [ 0.0000665000000000, -0.0007934900000000, 0.0000307600000000 ] - [ 0.0610181800000000, -0.0108774800000000, -0.0116373600000000 ] - [ 0.0596162800000000, -0.0092615600000000, 0.0103428200000000 ] - [ -0.0031764900000000, -0.0000226200000000, -0.0004500600000000 ] - [ -0.0029393100000000, 0.0001962800000000, 0.0004116700000000 ] - [ 0.0018904700000000, 0.0007982100000000, 0.0009935500000000 ] - [ 0.0020949300000000, 0.0004963000000000, -0.0009500200000000 ] - [ -0.0033991900000000, 0.0001517800000000, 0.0002811000000000 ] - [ -0.0036032700000000, -0.0001504500000000, -0.0002354900000000 ] - [ -0.0127300300000000, 0.0023361800000000, 0.0013433500000000 ] - [ -0.0134345600000000, 0.0028602600000000, -0.0018088400000000 ] - [ -0.0014782900000000, 0.0001302800000000, -0.0000123900000000 ] - [ -0.0008048300000000, 0.0006729200000000, -0.0004658700000000 ] - [ -0.0099843100000000, 0.0075967900000000, 0.0065530700000000 ] - [ -0.0101475600000000, 0.0071772300000000, -0.0064861500000000 ] - [ 0.0016614900000000, 0.0016635700000000, -0.0016793900000000 ] - [ 0.0017225700000000, 0.0012377200000000, 0.0017368700000000 ] - [ -0.0003481300000000, 0.0025893500000000, 0.0020969100000000 ] - [ 0.0003755300000000, 0.0027467700000000, -0.0015176600000000 ] - [ -0.0008106700000000, -0.0015538300000000, 0.0024521100000000 ] - [ -0.0015344500000000, -0.0013955500000000, -0.0018606500000000 ] - [ 0.0072843800000000, -0.0028736300000000, 0.0070927800000000 ] - [ 0.0076272900000000, -0.0041428000000000, -0.0080246900000000 ] - [ -0.0044488300000000, 0.0006584700000000, -0.0005147600000000 ] - [ -0.0048177200000000, -0.0006094500000000, -0.0004219600000000 ] - [ 0.0021682300000000, -0.0014942900000000, -0.0007931200000000 ] - [ 0.0019310900000000, -0.0012729000000000, 0.0007547500000000 ] - [ -0.0017924200000000, 0.0000215200000000, 0.0000215800000000 ] - [ -0.0015561000000000, 0.0002426900000000, -0.0000601500000000 ] - [ 0.0699742200000000, 0.0170307800000000, 0.0164724100000000 ] - [ 0.0678468800000000, 0.0147177100000000, -0.0141796800000000 ] - [ -0.0016548500000000, 0.0004380000000000, 0.0000659600000000 ] - [ -0.0018606600000000, 0.0001346500000000, -0.0000208200000000 ] - [ 0.0005672700000000, -0.0005615300000000, -0.0005757000000000 ] - [ -0.0001095500000000, -0.0000164500000000, 0.0000966300000000 ] - [ -0.0009556000000000, -0.0002797200000000, -0.0000296200000000 ] - [ -0.0002805400000000, 0.0002648400000000, -0.0004488600000000 ] - [ -0.0001746000000000, -0.0029440200000000, -0.0018413500000000 ] - [ -0.0002383200000000, -0.0033619100000000, 0.0019034800000000 ] - [ 0.0014144500000000, -0.0011931900000000, 0.0001269600000000 ] - [ 0.0014735800000000, -0.0016092700000000, -0.0000642600000000 ] - [ -0.0105892900000000, -0.0063317400000000, -0.0074551500000000 ] - [ -0.0099680200000000, -0.0061545800000000, 0.0080303700000000 ] - [ 0.0000863600000000, 0.0007865100000000, 0.0001694500000000 ] - [ -0.0006402800000000, 0.0009387800000000, 0.0004129700000000 ] - [ 0.0050258700000000, 0.0078688400000000, -0.0016847000000000 ] - [ 0.0053673200000000, 0.0065876900000000, 0.0007459300000000 ] - [ -0.0016344400000000, 0.0005453300000000, -0.0006579200000000 ] - [ -0.0019918400000000, -0.0007158800000000, -0.0002815300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015394100000000, -0.0039855400000000, 0.0000746300000000 ] - [ 0.0004498600000000, -0.0014593200000000, 0.0000728100000000 ] - [ 0.0000165200000000, 0.0031516600000000, 0.0000741000000000 ] - [ -0.0002186500000000, 0.0007477000000000, 0.0000713300000000 ] - [ 0.0013981600000000, -0.2944052100000000, 0.0006437200000000 ] - [ -0.0000552900000000, -0.0013620300000000, -0.0003177000000000 ] - [ -0.0404174300000000, -0.0030595700000000, -0.0049426300000000 ] - [ -0.0400773200000000, -0.0032986800000000, 0.0054390800000000 ] - [ -0.0003011400000000, -0.0018758600000000, 0.0002712900000000 ] - [ -0.0007011800000000, -0.0022002800000000, 0.0003620400000000 ] - [ -0.0002953000000000, 0.0021290200000000, 0.0015412400000000 ] - [ 0.0000237000000000, 0.0023304400000000, -0.0014721800000000 ] - [ -0.0001219500000000, -0.0021230200000000, 0.0000608400000000 ] - [ -0.0004511800000000, -0.0019152400000000, 0.0000042700000000 ] - [ 0.0006111500000000, 0.0034408200000000, -0.0003187100000000 ] - [ 0.0001846100000000, 0.0020555900000000, -0.0003165700000000 ] - [ 0.0000642000000000, 0.0021836100000000, 0.0017595200000000 ] - [ 0.0004567100000000, 0.0018692400000000, -0.0011291900000000 ] - [ 0.0010072000000000, 0.0026799700000000, 0.0016002400000000 ] - [ 0.0006004500000000, 0.0023589300000000, -0.0009641500000000 ] - [ 0.0299906900000000, -0.0120142900000000, -0.0088000800000000 ] - [ 0.0303490600000000, -0.0119011700000000, 0.0089549100000000 ] - [ -0.0003286500000000, 0.0021773700000000, 0.0012396100000000 ] - [ -0.0006629100000000, 0.0023801500000000, -0.0011719100000000 ] - [ 0.0006125100000000, 0.0014323900000000, -0.0001061000000000 ] - [ 0.0009404100000000, 0.0019416400000000, 0.0003397400000000 ] - [ 0.0003101400000000, -0.0004410500000000, 0.0002698300000000 ] - [ -0.0000143900000000, 0.0000679400000000, -0.0000379400000000 ] - [ -0.0026829700000000, 0.0039734700000000, -0.0081447200000000 ] - [ -0.0024168200000000, 0.0034140100000000, 0.0083305200000000 ] - [ -0.0001833800000000, -0.0003340700000000, 0.0007711700000000 ] - [ -0.0004183400000000, -0.0008789500000000, -0.0006028300000000 ] - [ -0.0031355100000000, -0.0007227400000000, -0.0003952100000000 ] - [ -0.0024646600000000, -0.0005228800000000, -0.0001130100000000 ] - [ -0.0040045300000000, -0.0011170800000000, -0.0005901600000000 ] - [ -0.0046772500000000, -0.0009093300000000, 0.0000740400000000 ] - [ -0.0005013100000000, 0.0030939600000000, 0.0020413000000000 ] - [ -0.0006780600000000, 0.0030270000000000, -0.0016189400000000 ] - [ 0.0004105400000000, -0.0005657200000000, -0.0007324100000000 ] - [ 0.0005856300000000, -0.0006214000000000, 0.0011500000000000 ] - [ 0.0009703900000000, 0.0087854800000000, -0.0038739800000000 ] - [ 0.0013323600000000, 0.0092688300000000, 0.0040513400000000 ] - [ 0.0000791300000000, 0.0003697900000000, 0.0000156800000000 ] - [ -0.0002454700000000, 0.0008748200000000, 0.0002162200000000 ] - [ -0.0012510400000000, 0.0016916600000000, -0.0020870900000000 ] - [ -0.0010050500000000, 0.0011466900000000, 0.0022418900000000 ] - [ 0.0002094300000000, 0.0005702600000000, -0.0000663700000000 ] - [ -0.0000248900000000, 0.0000261600000000, 0.0002351600000000 ] - [ 0.0030758400000000, 0.0007392400000000, -0.0008314000000000 ] - [ 0.0037343100000000, 0.0009386600000000, 0.0003186300000000 ] - [ 0.0009083500000000, 0.0001403300000000, -0.0001078100000000 ] - [ 0.0002339500000000, 0.0003446200000000, -0.0004026100000000 ] - [ 0.0005109000000000, 0.0025105200000000, 0.0019197500000000 ] - [ 0.0003392100000000, 0.0024670700000000, -0.0015081900000000 ] - [ -0.0004412000000000, 0.0002886900000000, -0.0000458500000000 ] - [ -0.0002659200000000, 0.0002263400000000, 0.0004683200000000 ] - [ -0.0133925100000000, 0.0731783200000000, 0.0265558800000000 ] - [ -0.0158830200000000, 0.0758901600000000, -0.0290596500000000 ] - [ 0.0002507100000000, 0.0008201300000000, 0.0001768600000000 ] - [ 0.0004890300000000, 0.0010409300000000, -0.0002134500000000 ] - [ -0.0000825800000000, -0.0019516800000000, -0.0015243800000000 ] - [ 0.0001285300000000, -0.0022551700000000, 0.0015749300000000 ] - [ 0.0001836200000000, 0.0010418700000000, 0.0004633900000000 ] - [ -0.0000196800000000, 0.0007404000000000, -0.0004186500000000 ] - [ 0.0033424800000000, 0.0170800100000000, 0.0148009200000000 ] - [ 0.0027194000000000, 0.0176385700000000, -0.0152909000000000 ] - [ -0.0002223300000000, 0.0014231700000000, -0.0004797300000000 ] - [ 0.0004524900000000, 0.0019668100000000, 0.0000034000000000 ] - [ 0.0128744200000000, -0.0051400400000000, -0.0025969500000000 ] - [ 0.0127303600000000, -0.0055513600000000, 0.0026499300000000 ] - [ 0.0018840600000000, 0.0013924400000000, 0.0004190300000000 ] - [ 0.0019501500000000, 0.0009757500000000, -0.0003563000000000 ] - [ -0.0002584300000000, -0.0026372300000000, -0.0013283500000000 ] - [ 0.0004700900000000, -0.0024778100000000, 0.0019083500000000 ] - [ -0.0002451400000000, 0.0022447500000000, 0.0009402300000000 ] - [ -0.0009692600000000, 0.0023931100000000, -0.0003543300000000 ] - [ 0.0021589100000000, -0.0014451100000000, 0.0039550400000000 ] - [ 0.0024998600000000, -0.0026975700000000, -0.0048910500000000 ] - [ 0.0028337500000000, 0.0008388200000000, -0.0005788300000000 ] - [ 0.0024652300000000, -0.0004225000000000, -0.0003623300000000 ] - [ 0.0000411800000000, -0.0021722500000000, -0.0007577800000000 ] - [ -0.0001927500000000, -0.0019541600000000, 0.0007207900000000 ] - [ -0.0007458600000000, -0.0014439500000000, -0.0004979800000000 ] - [ -0.0005043400000000, -0.0012247100000000, 0.0004598300000000 ] - [ 0.0201784800000000, 0.0708953500000000, 0.0272817200000000 ] - [ 0.0186288100000000, 0.0694451000000000, -0.0256603100000000 ] - [ 0.0003769600000000, -0.0008337500000000, -0.0004041000000000 ] - [ 0.0001756100000000, -0.0011343300000000, 0.0004480500000000 ] - [ 0.0003013600000000, -0.0022199800000000, -0.0017818700000000 ] - [ -0.0003720300000000, -0.0016779200000000, 0.0013058500000000 ] - [ -0.0004084900000000, -0.0023021100000000, -0.0012364900000000 ] - [ 0.0002719800000000, -0.0017574900000000, 0.0007577900000000 ] - [ -0.0000872200000000, -0.0016469000000000, -0.0011265800000000 ] - [ -0.0001475800000000, -0.0020757200000000, 0.0011940300000000 ] - [ -0.0025225800000000, -0.0010263000000000, 0.0000523900000000 ] - [ -0.0024480100000000, -0.0014458100000000, 0.0000119000000000 ] - [ -0.0101645800000000, -0.0028311800000000, -0.0008757500000000 ] - [ -0.0095322700000000, -0.0026775000000000, 0.0014781200000000 ] - [ 0.0012673200000000, -0.0016793100000000, 0.0001249900000000 ] - [ 0.0005459100000000, -0.0015274300000000, 0.0004552900000000 ] - [ -0.0016916600000000, -0.0050818600000000, 0.0023874600000000 ] - [ -0.0013518500000000, -0.0063503100000000, -0.0033040100000000 ] - [ -0.0002619200000000, 0.0003843900000000, -0.0005776700000000 ] - [ -0.0006196600000000, -0.0008792800000000, -0.0003642000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0083289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2964259300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021844400000000 ] - [ -0.0361815600000000, -0.0046742700000000, -0.0062341000000000 ] - [ 0.0361815600000000, 0.0046742700000000, -0.0062341000000000 ] - [ 0.0008070100000000, 0.0011521500000000, 0.0033080400000000 ] - [ -0.0008070100000000, -0.0011521500000000, 0.0033080400000000 ] - [ -0.0001262400000000, 0.0011230800000000, 0.0017695400000000 ] - [ 0.0001262400000000, -0.0011230800000000, 0.0017695400000000 ] - [ -0.0012978300000000, 0.0015735600000000, 0.0034449000000000 ] - [ 0.0012978300000000, -0.0015735600000000, 0.0034449000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024642100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011206400000000 ] - [ -0.0001365100000000, 0.0017678800000000, 0.0021380900000000 ] - [ 0.0001365100000000, -0.0017678800000000, 0.0021380900000000 ] - [ -0.0000335600000000, -0.0000163100000000, -0.0008248700000000 ] - [ 0.0000335600000000, 0.0000163100000000, -0.0008248700000000 ] - [ 0.0349157200000000, -0.0110832800000000, -0.0065400300000000 ] - [ -0.0349157200000000, 0.0110832800000000, -0.0065400300000000 ] - [ 0.0001749600000000, -0.0001428100000000, -0.0009917000000000 ] - [ -0.0001749600000000, 0.0001428100000000, -0.0009917000000000 ] - [ -0.0008619700000000, -0.0023358300000000, 0.0006173100000000 ] - [ 0.0008619700000000, 0.0023358300000000, 0.0006173100000000 ] - [ 0.0002682000000000, -0.0001719200000000, 0.0003590500000000 ] - [ -0.0002682000000000, 0.0001719200000000, 0.0003590500000000 ] - [ 0.0012019300000000, -0.0058867300000000, 0.0087036100000000 ] - [ -0.0012019300000000, 0.0058867300000000, 0.0087036100000000 ] - [ 0.0000321600000000, 0.0001050600000000, 0.0004474900000000 ] - [ -0.0000321600000000, -0.0001050600000000, 0.0004474900000000 ] - [ 0.0027227500000000, -0.0007260600000000, 0.0003885200000000 ] - [ -0.0027227500000000, 0.0007260600000000, 0.0003885200000000 ] - [ -0.0033591900000000, -0.0001462300000000, -0.0015976400000000 ] - [ 0.0033591900000000, 0.0001462300000000, -0.0015976400000000 ] - [ -0.0004289700000000, 0.0024914800000000, 0.0017792900000000 ] - [ 0.0004289700000000, -0.0024914800000000, 0.0017792900000000 ] - [ -0.0004101900000000, -0.0006804200000000, -0.0002384800000000 ] - [ 0.0004101900000000, 0.0006804200000000, -0.0002384800000000 ] - [ -0.0038743100000000, -0.0093716000000000, 0.0017649200000000 ] - [ 0.0038743100000000, 0.0093716000000000, 0.0017649200000000 ] - [ 0.0000261900000000, 0.0000854400000000, -0.0001447800000000 ] - [ -0.0000261900000000, -0.0000854400000000, -0.0001447800000000 ] - [ 0.0006401000000000, -0.0002969600000000, 0.0016885000000000 ] - [ -0.0006401000000000, 0.0002969600000000, 0.0016885000000000 ] - [ 0.0002938500000000, 0.0005260700000000, -0.0002501300000000 ] - [ -0.0002938500000000, -0.0005260700000000, -0.0002501300000000 ] - [ -0.0029592800000000, -0.0001331200000000, -0.0005476400000000 ] - [ 0.0029592800000000, 0.0001331200000000, -0.0005476400000000 ] - [ 0.0010700400000000, 0.0001099600000000, -0.0000483600000000 ] - [ -0.0010700400000000, -0.0001099600000000, -0.0000483600000000 ] - [ 0.0005791300000000, 0.0030477400000000, 0.0028776500000000 ] - [ -0.0005791300000000, -0.0030477400000000, 0.0028776500000000 ] - [ -0.0000081100000000, -0.0008378800000000, -0.0003530600000000 ] - [ 0.0000081100000000, 0.0008378800000000, -0.0003530600000000 ] - [ -0.0135904800000000, 0.0262007900000000, 0.0702622400000000 ] - [ 0.0135904800000000, -0.0262007900000000, 0.0702622400000000 ] - [ -0.0006163700000000, -0.0004676000000000, -0.0012935600000000 ] - [ 0.0006163700000000, 0.0004676000000000, -0.0012935600000000 ] - [ -0.0001439600000000, -0.0005806200000000, -0.0017929500000000 ] - [ 0.0001439600000000, 0.0005806200000000, -0.0017929500000000 ] - [ 0.0010626600000000, -0.0003700900000000, -0.0013526100000000 ] - [ -0.0010626600000000, 0.0003700900000000, -0.0013526100000000 ] - [ 0.0016848700000000, 0.0150310700000000, 0.0171011500000000 ] - [ -0.0016848700000000, -0.0150310700000000, 0.0171011500000000 ] - [ -0.0000972800000000, -0.0013805800000000, -0.0032142100000000 ] - [ 0.0000972800000000, 0.0013805800000000, -0.0032142100000000 ] - [ 0.0116429700000000, -0.0024601800000000, -0.0036166800000000 ] - [ -0.0116429700000000, 0.0024601800000000, -0.0036166800000000 ] - [ -0.0023681800000000, 0.0005006800000000, -0.0011022000000000 ] - [ 0.0023681800000000, -0.0005006800000000, -0.0011022000000000 ] - [ -0.0003110500000000, -0.0018593400000000, -0.0012342400000000 ] - [ 0.0003110500000000, 0.0018593400000000, -0.0012342400000000 ] - [ 0.0025258600000000, 0.0002105400000000, -0.0019351900000000 ] - [ -0.0025258600000000, -0.0002105400000000, -0.0019351900000000 ] - [ -0.0021277500000000, 0.0042926400000000, -0.0055452100000000 ] - [ 0.0021277500000000, -0.0042926400000000, -0.0055452100000000 ] - [ 0.0024879700000000, 0.0005781100000000, -0.0000076800000000 ] - [ -0.0024879700000000, -0.0005781100000000, -0.0000076800000000 ] - [ 0.0001132000000000, -0.0016891800000000, -0.0012500200000000 ] - [ -0.0001132000000000, 0.0016891800000000, -0.0012500200000000 ] - [ 0.0000754800000000, 0.0002006200000000, 0.0004569600000000 ] - [ -0.0000754800000000, -0.0002006200000000, 0.0004569600000000 ] - [ 0.0213327500000000, 0.0279495600000000, 0.0735276500000000 ] - [ -0.0213327500000000, -0.0279495600000000, 0.0735276500000000 ] - [ 0.0000545300000000, 0.0003072900000000, 0.0006001400000000 ] - [ -0.0000545300000000, -0.0003072900000000, 0.0006001400000000 ] - [ 0.0002056600000000, -0.0016784000000000, -0.0019464200000000 ] - [ -0.0002056600000000, 0.0016784000000000, -0.0019464200000000 ] - [ -0.0002559200000000, -0.0001632500000000, 0.0007392200000000 ] - [ 0.0002559200000000, 0.0001632500000000, 0.0007392200000000 ] - [ -0.0001094000000000, -0.0018440900000000, -0.0013185500000000 ] - [ 0.0001094000000000, 0.0018440900000000, -0.0013185500000000 ] - [ 0.0016196200000000, 0.0005759100000000, 0.0008375200000000 ] - [ -0.0016196200000000, -0.0005759100000000, 0.0008375200000000 ] - [ -0.0105566200000000, -0.0005671300000000, -0.0050917800000000 ] - [ 0.0105566200000000, 0.0005671300000000, -0.0050917800000000 ] - [ 0.0001947700000000, 0.0004180800000000, 0.0012526200000000 ] - [ -0.0001947700000000, -0.0004180800000000, 0.0012526200000000 ] - [ 0.0024525200000000, 0.0060391600000000, -0.0017778300000000 ] - [ -0.0024525200000000, -0.0060391600000000, -0.0017778300000000 ] - [ -0.0003763600000000, 0.0003162200000000, -0.0006224300000000 ] - [ 0.0003763600000000, -0.0003162200000000, -0.0006224300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0082270400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2955453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028203600000000 ] - [ 0.0357787700000000, 0.0048800100000000, 0.0067916400000000 ] - [ -0.0357787700000000, -0.0048800100000000, 0.0067916400000000 ] - [ -0.0003985700000000, -0.0008326000000000, -0.0026772700000000 ] - [ 0.0003985700000000, 0.0008326000000000, -0.0026772700000000 ] - [ -0.0001978300000000, -0.0013239500000000, -0.0016973100000000 ] - [ 0.0001978300000000, 0.0013239500000000, -0.0016973100000000 ] - [ 0.0016381200000000, -0.0017810900000000, -0.0033799200000000 ] - [ -0.0016381200000000, 0.0017810900000000, -0.0033799200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030920200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004867000000000 ] - [ -0.0002546700000000, -0.0014494800000000, -0.0015063700000000 ] - [ 0.0002546700000000, 0.0014494800000000, -0.0015063700000000 ] - [ 0.0004335300000000, 0.0003353200000000, 0.0014609600000000 ] - [ -0.0004335300000000, -0.0003353200000000, 0.0014609600000000 ] - [ -0.0352072800000000, 0.0109946200000000, 0.0066898200000000 ] - [ 0.0352072800000000, -0.0109946200000000, 0.0066898200000000 ] - [ 0.0001538100000000, -0.0000610300000000, 0.0010567400000000 ] - [ -0.0001538100000000, 0.0000610300000000, 0.0010567400000000 ] - [ 0.0005280700000000, 0.0018138600000000, -0.0003872700000000 ] - [ -0.0005280700000000, -0.0018138600000000, -0.0003872700000000 ] - [ 0.0000553300000000, -0.0003338200000000, -0.0001280100000000 ] - [ -0.0000553300000000, 0.0003338200000000, -0.0001280100000000 ] - [ -0.0014777500000000, 0.0063714700000000, -0.0085144400000000 ] - [ 0.0014777500000000, -0.0063714700000000, -0.0085144400000000 ] - [ 0.0002012600000000, 0.0004376300000000, -0.0002755800000000 ] - [ -0.0002012600000000, -0.0004376300000000, -0.0002755800000000 ] - [ -0.0033798200000000, 0.0005190300000000, -0.0008972600000000 ] - [ 0.0033798200000000, -0.0005190300000000, -0.0008972600000000 ] - [ 0.0040274100000000, -0.0000625300000000, 0.0010813900000000 ] - [ -0.0040274100000000, 0.0000625300000000, 0.0010813900000000 ] - [ 0.0006048600000000, -0.0024261500000000, -0.0013552700000000 ] - [ -0.0006048600000000, 0.0024261500000000, -0.0013552700000000 ] - [ 0.0002336900000000, 0.0007485300000000, 0.0006647500000000 ] - [ -0.0002336900000000, -0.0007485300000000, 0.0006647500000000 ] - [ 0.0035254100000000, 0.0088570300000000, -0.0015284900000000 ] - [ -0.0035254100000000, -0.0088570300000000, -0.0015284900000000 ] - [ 0.0002991600000000, -0.0005930200000000, 0.0003772600000000 ] - [ -0.0002991600000000, 0.0005930200000000, 0.0003772600000000 ] - [ -0.0008775400000000, 0.0008412500000000, -0.0015197300000000 ] - [ 0.0008775400000000, -0.0008412500000000, -0.0015197300000000 ] - [ -0.0000584400000000, 0.0000196700000000, 0.0004164900000000 ] - [ 0.0000584400000000, -0.0000196700000000, 0.0004164900000000 ] - [ 0.0022828600000000, -0.0000691000000000, 0.0000400700000000 ] - [ -0.0022828600000000, 0.0000691000000000, 0.0000400700000000 ] - [ -0.0003962800000000, -0.0003135300000000, -0.0004621000000000 ] - [ 0.0003962800000000, 0.0003135300000000, -0.0004621000000000 ] - [ -0.0004076100000000, -0.0029980600000000, -0.0024669600000000 ] - [ 0.0004076100000000, 0.0029980600000000, -0.0024669600000000 ] - [ -0.0001690200000000, 0.0008914700000000, 0.0007687100000000 ] - [ 0.0001690200000000, -0.0008914700000000, 0.0007687100000000 ] - [ 0.0156521000000000, -0.0286022200000000, -0.0720239700000000 ] - [ -0.0156521000000000, 0.0286022200000000, -0.0720239700000000 ] - [ 0.0003740500000000, 0.0002484300000000, 0.0012579500000000 ] - [ -0.0003740500000000, -0.0002484300000000, 0.0012579500000000 ] - [ -0.0000631800000000, 0.0008815800000000, 0.0018336300000000 ] - [ 0.0000631800000000, -0.0008815800000000, 0.0018336300000000 ] - [ -0.0008659100000000, 0.0006702600000000, 0.0013963600000000 ] - [ 0.0008659100000000, -0.0006702600000000, 0.0013963600000000 ] - [ -0.0010620200000000, -0.0155671800000000, -0.0175758300000000 ] - [ 0.0010620200000000, 0.0155671800000000, -0.0175758300000000 ] - [ -0.0005869000000000, 0.0008395100000000, 0.0027382700000000 ] - [ 0.0005869000000000, -0.0008395100000000, 0.0027382700000000 ] - [ -0.0114916600000000, 0.0028646600000000, 0.0036715700000000 ] - [ 0.0114916600000000, -0.0028646600000000, 0.0036715700000000 ] - [ 0.0022928300000000, -0.0000755300000000, 0.0011674100000000 ] - [ -0.0022928300000000, 0.0000755300000000, 0.0011674100000000 ] - [ -0.0004167000000000, 0.0017022800000000, 0.0018132100000000 ] - [ 0.0004167000000000, -0.0017022800000000, 0.0018132100000000 ] - [ -0.0018131100000000, -0.0003696400000000, 0.0025217600000000 ] - [ 0.0018131100000000, 0.0003696400000000, 0.0025217600000000 ] - [ 0.0017869000000000, -0.0030034900000000, 0.0046132000000000 ] - [ -0.0017869000000000, 0.0030034900000000, 0.0046132000000000 ] - [ -0.0021176300000000, 0.0006863200000000, -0.0009363100000000 ] - [ 0.0021176300000000, -0.0006863200000000, -0.0009363100000000 ] - [ 0.0001188200000000, 0.0014622200000000, 0.0012105900000000 ] - [ -0.0001188200000000, -0.0014622200000000, 0.0012105900000000 ] - [ -0.0003127500000000, -0.0004205000000000, -0.0004953700000000 ] - [ 0.0003127500000000, 0.0004205000000000, -0.0004953700000000 ] - [ -0.0192368600000000, -0.0257699300000000, -0.0716546600000000 ] - [ 0.0192368600000000, 0.0257699300000000, -0.0716546600000000 ] - [ 0.0001499200000000, -0.0000055300000000, -0.0005543700000000 ] - [ -0.0001499200000000, 0.0000055300000000, -0.0005543700000000 ] - [ 0.0004686700000000, 0.0011337900000000, 0.0014673700000000 ] - [ -0.0004686700000000, -0.0011337900000000, 0.0014673700000000 ] - [ -0.0004200200000000, -0.0003798900000000, -0.0012167600000000 ] - [ 0.0004200200000000, 0.0003798900000000, -0.0012167600000000 ] - [ 0.0001715800000000, 0.0022674300000000, 0.0013860400000000 ] - [ -0.0001715800000000, -0.0022674300000000, 0.0013860400000000 ] - [ -0.0016831800000000, -0.0001595700000000, -0.0007782500000000 ] - [ 0.0016831800000000, 0.0001595700000000, -0.0007782500000000 ] - [ 0.0099232500000000, 0.0004150800000000, 0.0056897700000000 ] - [ -0.0099232500000000, -0.0004150800000000, 0.0056897700000000 ] - [ 0.0005322200000000, -0.0005672400000000, -0.0006644200000000 ] - [ -0.0005322200000000, 0.0005672400000000, -0.0006644200000000 ] - [ -0.0027937800000000, -0.0047596600000000, 0.0008314000000000 ] - [ 0.0027937800000000, 0.0047596600000000, 0.0008314000000000 ] - [ 0.0007342800000000, 0.0009442700000000, -0.0003185600000000 ] - [ -0.0007342800000000, -0.0009442700000000, -0.0003185600000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001410000000000, -0.0017039400000000, 0.0057609700000000 ] - [ 0.0057486000000000, 0.0012495500000000, 0.0022341700000000 ] - [ -0.0008006800000000, 0.0010235000000000, -0.0008545900000000 ] - [ 0.0013122600000000, -0.0005666700000000, -0.0001921400000000 ] - [ 0.0360978500000000, -0.0401203000000000, -0.0362167400000000 ] - [ 0.0033181400000000, 0.0005013400000000, -0.0009213200000000 ] - [ -0.5572338700000000, 0.0435244600000000, 0.0095267400000000 ] - [ 0.0101957700000000, -0.0016510500000000, 0.0019837800000000 ] - [ 0.0004724000000000, -0.0000260900000000, 0.0003310700000000 ] - [ 0.0032426200000000, -0.0004143100000000, 0.0003020300000000 ] - [ -0.0082863400000000, -0.0034053600000000, -0.0042487200000000 ] - [ 0.0005675300000000, 0.0001302200000000, 0.0003809100000000 ] - [ -0.0013032600000000, 0.0033672300000000, -0.0019568700000000 ] - [ 0.0054328800000000, -0.0007392000000000, 0.0016897900000000 ] - [ -0.0021721800000000, 0.0002611500000000, -0.0002571000000000 ] - [ 0.0020427700000000, -0.0008054300000000, -0.0000807400000000 ] - [ -0.0034983200000000, 0.0001332800000000, 0.0002332000000000 ] - [ 0.0004637400000000, 0.0002539800000000, 0.0001808300000000 ] - [ -0.0000349400000000, -0.0004024900000000, 0.0003753400000000 ] - [ 0.0045525000000000, 0.0013217600000000, -0.0008295900000000 ] - [ -0.0327645100000000, 0.0159419100000000, 0.0132946100000000 ] - [ 0.0105570600000000, 0.0004845100000000, -0.0010420700000000 ] - [ -0.0009365700000000, -0.0013211500000000, 0.0010912600000000 ] - [ 0.0021740700000000, 0.0002871400000000, -0.0000942600000000 ] - [ 0.0000022300000000, 0.0005844100000000, -0.0000865300000000 ] - [ -0.0003704100000000, -0.0004558900000000, -0.0000918300000000 ] - [ 0.0006188300000000, -0.0003454300000000, 0.0002844000000000 ] - [ 0.0003078400000000, -0.0001173700000000, -0.0000451300000000 ] - [ -0.0009042400000000, 0.0014579800000000, -0.0034170200000000 ] - [ 0.0002381700000000, -0.0008006200000000, -0.0011154000000000 ] - [ 0.0018803500000000, 0.0019787900000000, -0.0023659400000000 ] - [ 0.0006073000000000, 0.0005862100000000, -0.0000419800000000 ] - [ -0.0046715600000000, -0.0003182800000000, -0.0004537000000000 ] - [ 0.0007837400000000, -0.0001815000000000, -0.0003893000000000 ] - [ 0.0255825100000000, -0.0202031900000000, -0.0192281500000000 ] - [ 0.0037168200000000, -0.0000631200000000, -0.0005240900000000 ] - [ 0.0016598600000000, -0.0178442600000000, -0.0089888800000000 ] - [ 0.0002803800000000, -0.0012799400000000, 0.0009229400000000 ] - [ -0.0003191500000000, 0.0008185200000000, -0.0001655500000000 ] - [ 0.0012665100000000, 0.0004150300000000, 0.0003206900000000 ] - [ -0.0011854400000000, -0.0034073100000000, 0.0007247000000000 ] - [ 0.0075836800000000, 0.0205028800000000, 0.0065304500000000 ] - [ 0.0013682100000000, -0.0028203100000000, 0.0011348000000000 ] - [ -0.0000040100000000, 0.0004362000000000, 0.0000148200000000 ] - [ 0.0000158900000000, 0.0001416200000000, 0.0006582400000000 ] - [ -0.0030693500000000, 0.0012787100000000, 0.0036267200000000 ] - [ 0.0005180000000000, 0.0004759900000000, -0.0001341100000000 ] - [ 0.0001689700000000, -0.0003027400000000, 0.0004382000000000 ] - [ -0.0031187400000000, -0.0002705700000000, -0.0001271200000000 ] - [ 0.0056055900000000, 0.0007419300000000, 0.0001147900000000 ] - [ 0.0008650200000000, 0.0001173300000000, -0.0001213700000000 ] - [ 0.0015646200000000, 0.0001045300000000, -0.0003487200000000 ] - [ -0.0014480000000000, 0.0021376200000000, 0.0014243500000000 ] - [ 0.0001677200000000, 0.0012742100000000, -0.0007104300000000 ] - [ -0.0006832000000000, -0.0007662600000000, 0.0003163900000000 ] - [ 0.0003000000000000, -0.0003005600000000, 0.0001960700000000 ] - [ 0.2687751800000000, -0.0152979900000000, 0.0039556900000000 ] - [ -0.0126380400000000, 0.0116489700000000, 0.0008384800000000 ] - [ -0.0011904800000000, -0.0002462700000000, -0.0003449900000000 ] - [ -0.0026976100000000, -0.0003768600000000, 0.0002710600000000 ] - [ 0.0049990300000000, -0.0002413200000000, -0.0007012300000000 ] - [ 0.0005204700000000, 0.0000869800000000, -0.0005967700000000 ] - [ -0.0004572200000000, -0.0006489200000000, 0.0009893100000000 ] - [ -0.0045117700000000, -0.0006341400000000, 0.0007059200000000 ] - [ 0.1309811000000000, 0.0609294600000000, 0.0723132700000000 ] - [ -0.0050952200000000, 0.0003635600000000, -0.0003282800000000 ] - [ 0.0006688200000000, -0.0012996400000000, 0.0004521400000000 ] - [ -0.0018167900000000, 0.0006549300000000, -0.0007971600000000 ] - [ 0.1172815800000000, -0.0624526700000000, -0.0616513200000000 ] - [ -0.0055236300000000, 0.0022517700000000, -0.0021876900000000 ] - [ 0.0025253000000000, 0.0013423400000000, -0.0009658000000000 ] - [ -0.0011930600000000, -0.0000785400000000, 0.0005871200000000 ] - [ -0.0001771300000000, 0.0131441300000000, 0.0086259700000000 ] - [ -0.0001907500000000, 0.0007406500000000, -0.0001809000000000 ] - [ 0.0036015800000000, -0.0014223500000000, 0.0005853600000000 ] - [ -0.0037599500000000, 0.0006489400000000, -0.0017766100000000 ] - [ 0.0022151500000000, -0.0005412800000000, 0.0012845600000000 ] - [ 0.0002492600000000, 0.0004085600000000, 0.0001984400000000 ] - [ -0.0063316800000000, 0.0023981500000000, 0.0010966500000000 ] - [ -0.0030881900000000, -0.0015126100000000, -0.0001169400000000 ] - [ 0.0023812100000000, -0.0001448500000000, -0.0000900300000000 ] - [ 0.0003156500000000, -0.0006394900000000, 0.0003364100000000 ] - [ -0.0004964500000000, -0.0000087200000000, -0.0001883400000000 ] - [ -0.0031736300000000, 0.0010724100000000, -0.0000861000000000 ] - [ 0.0229711600000000, 0.0079871500000000, 0.0102975200000000 ] - [ -0.0129375900000000, 0.0020646800000000, 0.0100814900000000 ] - [ -0.0002661200000000, 0.0012290300000000, -0.0003492100000000 ] - [ -0.0021435500000000, 0.0000696400000000, -0.0002264400000000 ] - [ 0.0020425100000000, 0.0013505700000000, 0.0016428900000000 ] - [ -0.0007979100000000, 0.0001558400000000, -0.0002435200000000 ] - [ 0.0002764600000000, 0.0001163900000000, -0.0003543200000000 ] - [ -0.0012409900000000, -0.0002923600000000, 0.0000887500000000 ] - [ 0.0009685100000000, -0.0015783700000000, -0.0008889100000000 ] - [ -0.0011389900000000, -0.0009266500000000, 0.0004475200000000 ] - [ 0.0016449600000000, 0.0002103900000000, 0.0001532800000000 ] - [ -0.0046730200000000, -0.0017031600000000, 0.0007312400000000 ] - [ 0.0017342800000000, -0.0082253500000000, -0.0080143000000000 ] - [ -0.0040733700000000, -0.0020046300000000, 0.0023758400000000 ] - [ 0.0017156800000000, 0.0002362500000000, 0.0000035800000000 ] - [ -0.0011412400000000, 0.0004540600000000, 0.0002221200000000 ] - [ 0.0015537000000000, 0.0024117300000000, -0.0011489400000000 ] - [ -0.0029324000000000, -0.0126938100000000, -0.0051952300000000 ] - [ -0.0005524900000000, 0.0005106500000000, -0.0005051800000000 ] - [ -0.0015169900000000, -0.0004158500000000, -0.0003892600000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001577100000000, 0.0017117800000000, -0.0056416900000000 ] - [ -0.0057400000000000, -0.0012366500000000, -0.0020683100000000 ] - [ 0.0008099100000000, -0.0010250000000000, 0.0010022800000000 ] - [ -0.0013225700000000, 0.0005687300000000, 0.0003353300000000 ] - [ -0.0367421700000000, 0.0403772000000000, 0.0357464000000000 ] - [ -0.0033475100000000, -0.0005012600000000, 0.0002839900000000 ] - [ 0.5759154900000000, -0.0450535400000000, -0.0094275900000000 ] - [ -0.0098327900000000, 0.0013449900000000, -0.0013588500000000 ] - [ -0.0000999900000000, 0.0003448800000000, 0.0003114500000000 ] - [ -0.0036527000000000, 0.0000994800000000, 0.0003304400000000 ] - [ 0.0080089200000000, 0.0032241500000000, 0.0043474500000000 ] - [ -0.0002366200000000, 0.0000722200000000, -0.0003154200000000 ] - [ 0.0015870900000000, -0.0035888900000000, 0.0020491900000000 ] - [ -0.0057725600000000, 0.0009484500000000, -0.0016311700000000 ] - [ 0.0021878800000000, -0.0002598700000000, -0.0003749700000000 ] - [ -0.0020643700000000, 0.0008020800000000, -0.0005479100000000 ] - [ 0.0031188700000000, 0.0001906000000000, 0.0004046200000000 ] - [ -0.0000592200000000, -0.0005764300000000, 0.0004540800000000 ] - [ 0.0004199900000000, 0.0007268700000000, 0.0002561400000000 ] - [ -0.0049633800000000, -0.0016533000000000, 0.0014722000000000 ] - [ 0.0327024200000000, -0.0162636500000000, -0.0133311000000000 ] - [ -0.0102714900000000, -0.0002806700000000, 0.0011156400000000 ] - [ 0.0012449200000000, 0.0011336100000000, -0.0010266900000000 ] - [ -0.0025109500000000, -0.0000878900000000, 0.0001660600000000 ] - [ -0.0003264100000000, -0.0010950400000000, 0.0003190300000000 ] - [ 0.0007006200000000, 0.0009712800000000, 0.0003262400000000 ] - [ -0.0002966400000000, -0.0001588600000000, -0.0000528200000000 ] - [ -0.0006370600000000, 0.0006259800000000, 0.0002796300000000 ] - [ 0.0006761100000000, -0.0009212600000000, 0.0036015800000000 ] - [ -0.0000121500000000, 0.0002661300000000, 0.0013076500000000 ] - [ -0.0016491700000000, -0.0014254400000000, 0.0025157700000000 ] - [ -0.0008464500000000, -0.0011314100000000, 0.0002018900000000 ] - [ 0.0040169800000000, 0.0001162800000000, -0.0000604400000000 ] - [ -0.0001120700000000, 0.0003856400000000, -0.0001202600000000 ] - [ -0.0244629800000000, 0.0196834000000000, 0.0184852400000000 ] - [ -0.0044023800000000, 0.0002672100000000, 0.0000142100000000 ] - [ -0.0014607500000000, 0.0180267600000000, 0.0094797600000000 ] - [ -0.0004581400000000, 0.0012271900000000, -0.0005069000000000 ] - [ 0.0001382700000000, -0.0007679700000000, 0.0005827400000000 ] - [ -0.0010914600000000, -0.0004773500000000, 0.0000982800000000 ] - [ 0.0008643800000000, 0.0029121700000000, -0.0004958100000000 ] - [ -0.0073144600000000, -0.0201524100000000, -0.0063328500000000 ] - [ -0.0010538800000000, 0.0022922800000000, -0.0008967500000000 ] - [ -0.0003254400000000, 0.0000771300000000, 0.0002199900000000 ] - [ -0.0002505500000000, 0.0004034300000000, -0.0004925100000000 ] - [ 0.0033343200000000, -0.0018329200000000, -0.0034902700000000 ] - [ -0.0002848900000000, 0.0000683600000000, 0.0003034800000000 ] - [ -0.0004075800000000, -0.0002445000000000, -0.0002720100000000 ] - [ 0.0024579900000000, 0.0000673100000000, -0.0003837300000000 ] - [ -0.0049548000000000, -0.0005409900000000, -0.0006264100000000 ] - [ -0.0001985200000000, -0.0003208200000000, -0.0003888700000000 ] - [ -0.0022470100000000, 0.0000977400000000, -0.0001604400000000 ] - [ 0.0016331700000000, -0.0020771100000000, -0.0010011200000000 ] - [ -0.0003453500000000, -0.0013436700000000, 0.0011366700000000 ] - [ 0.0005035800000000, 0.0008294100000000, 0.0000981900000000 ] - [ -0.0001237700000000, 0.0002442200000000, 0.0002228200000000 ] - [ -0.2897160800000000, 0.0169847600000000, -0.0040092500000000 ] - [ 0.0124611700000000, -0.0114280600000000, -0.0008692500000000 ] - [ 0.0009738800000000, 0.0000304900000000, 0.0003075800000000 ] - [ 0.0029480200000000, 0.0005954600000000, -0.0003105300000000 ] - [ -0.0052387200000000, 0.0005445900000000, 0.0007486100000000 ] - [ -0.0003223800000000, -0.0003912100000000, 0.0006445200000000 ] - [ 0.0006905700000000, 0.0009496600000000, -0.0009436400000000 ] - [ 0.0043209600000000, 0.0003254700000000, -0.0006489400000000 ] - [ -0.1288317300000000, -0.0583457500000000, -0.0692104900000000 ] - [ 0.0044304200000000, 0.0001749100000000, -0.0001478300000000 ] - [ -0.0013382400000000, 0.0007625000000000, -0.0009493900000000 ] - [ 0.0024973300000000, -0.0001155900000000, 0.0003240200000000 ] - [ -0.1166504900000000, 0.0599573800000000, 0.0588957800000000 ] - [ 0.0054762200000000, -0.0026858400000000, 0.0022567900000000 ] - [ -0.0025884100000000, -0.0009222500000000, 0.0010367700000000 ] - [ 0.0012597500000000, -0.0003464900000000, -0.0005242100000000 ] - [ -0.0005510300000000, -0.0134137100000000, -0.0081159400000000 ] - [ 0.0009171900000000, -0.0005912100000000, 0.0007658800000000 ] - [ -0.0028677400000000, 0.0012879700000000, -0.0000215100000000 ] - [ 0.0030448100000000, -0.0004976200000000, 0.0023686600000000 ] - [ -0.0025850900000000, 0.0018107600000000, -0.0022312200000000 ] - [ 0.0001096300000000, -0.0016825200000000, -0.0011541400000000 ] - [ 0.0066727000000000, -0.0011027700000000, -0.0020136000000000 ] - [ 0.0027400700000000, 0.0002417200000000, -0.0008203700000000 ] - [ -0.0021581100000000, -0.0000781500000000, 0.0000514700000000 ] - [ -0.0005606200000000, 0.0008626900000000, -0.0003754500000000 ] - [ 0.0002716200000000, -0.0002127800000000, 0.0001523700000000 ] - [ 0.0034226400000000, -0.0008382700000000, 0.0000425800000000 ] - [ -0.0232288100000000, -0.0078232500000000, -0.0103950200000000 ] - [ 0.0132100300000000, -0.0023710000000000, -0.0100345400000000 ] - [ 0.0004869300000000, -0.0009280200000000, 0.0003916000000000 ] - [ 0.0019487000000000, -0.0003717700000000, 0.0002695100000000 ] - [ -0.0013757000000000, -0.0019093400000000, -0.0021383800000000 ] - [ 0.0001213000000000, 0.0003899400000000, -0.0002339800000000 ] - [ -0.0009495100000000, -0.0006669300000000, -0.0001227200000000 ] - [ 0.0019217100000000, 0.0008431400000000, -0.0005723700000000 ] - [ -0.0009078600000000, 0.0020065500000000, 0.0009551700000000 ] - [ 0.0010787000000000, 0.0005127500000000, -0.0003879400000000 ] - [ -0.0017100500000000, 0.0002143300000000, -0.0000864300000000 ] - [ 0.0047517200000000, 0.0012919200000000, -0.0006708800000000 ] - [ -0.0024718500000000, 0.0081450100000000, 0.0086689300000000 ] - [ 0.0048108200000000, 0.0021654300000000, -0.0018067900000000 ] - [ -0.0009849100000000, -0.0004012600000000, 0.0005827300000000 ] - [ 0.0004169500000000, -0.0003026300000000, 0.0003591000000000 ] - [ -0.0019178400000000, -0.0011546400000000, 0.0002119700000000 ] - [ 0.0032865600000000, 0.0114888300000000, 0.0042856100000000 ] - [ 0.0009150900000000, 0.0007498200000000, -0.0004359500000000 ] - [ 0.0011693100000000, -0.0008451000000000, -0.0005524600000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004082600000000, -0.0015172700000000, -0.0005274800000000 ] - [ 0.0036510400000000, -0.0013923700000000, 0.0000388800000000 ] - [ 0.0005066300000000, 0.0012641900000000, -0.0003450200000000 ] - [ -0.0007176400000000, 0.0010809400000000, 0.0005513400000000 ] - [ -0.0192068900000000, -0.0033090300000000, -0.0050821200000000 ] - [ 0.0012562500000000, -0.0020440500000000, 0.0006691100000000 ] - [ 0.0394068700000000, -0.3493431500000000, -0.2163612200000000 ] - [ -0.0012906000000000, 0.0006846000000000, -0.0000369200000000 ] - [ 0.0003879700000000, -0.0014239400000000, 0.0033152600000000 ] - [ 0.0000612000000000, -0.0006525600000000, 0.0010341500000000 ] - [ 0.0034304400000000, 0.0049856700000000, 0.0051286300000000 ] - [ 0.0002775400000000, 0.0006656100000000, -0.0001407700000000 ] - [ 0.0045188900000000, -0.0076460400000000, -0.0043447500000000 ] - [ -0.0014054100000000, -0.0008687600000000, 0.0007136800000000 ] - [ 0.0015889700000000, 0.0020261200000000, 0.0012887600000000 ] - [ -0.0003866400000000, 0.0025183000000000, -0.0004916000000000 ] - [ -0.0002304300000000, 0.0033761500000000, 0.0026703900000000 ] - [ 0.0006123800000000, -0.0002282000000000, 0.0005012500000000 ] - [ 0.0007728600000000, 0.0042049500000000, 0.0019872800000000 ] - [ -0.0016821500000000, 0.0006497400000000, -0.0003847100000000 ] - [ -0.0033766500000000, 0.0327729500000000, 0.0334041200000000 ] - [ -0.0017880700000000, -0.0003846500000000, 0.0003270300000000 ] - [ -0.0006195300000000, 0.0032413000000000, -0.0004979400000000 ] - [ -0.0004644500000000, 0.0010854800000000, -0.0008205500000000 ] - [ -0.0000743500000000, -0.0007194100000000, 0.0002918200000000 ] - [ 0.0004416800000000, 0.0015007700000000, 0.0003173700000000 ] - [ 0.0003914300000000, -0.0000162800000000, 0.0002762500000000 ] - [ -0.0000728000000000, -0.0004318800000000, 0.0003019900000000 ] - [ 0.0000550300000000, -0.0007163700000000, 0.0007492500000000 ] - [ -0.0014980400000000, 0.0014842100000000, 0.0032254800000000 ] - [ -0.0011333300000000, -0.0017375100000000, 0.0026583800000000 ] - [ 0.0003540500000000, -0.0003835300000000, -0.0004691300000000 ] - [ -0.0005673500000000, -0.0008034100000000, 0.0001023400000000 ] - [ -0.0009043800000000, 0.0001215200000000, -0.0002269900000000 ] - [ -0.0258962600000000, 0.0009965400000000, -0.0016464700000000 ] - [ 0.0002428000000000, 0.0000242200000000, -0.0003753200000000 ] - [ -0.0027516100000000, 0.0128290900000000, 0.0079152600000000 ] - [ -0.0001473200000000, 0.0006695800000000, -0.0001303900000000 ] - [ 0.0003737200000000, 0.0033056400000000, 0.0000952500000000 ] - [ -0.0003043800000000, -0.0007471300000000, 0.0005791100000000 ] - [ -0.0007178800000000, 0.0005900500000000, -0.0002365800000000 ] - [ 0.0056282700000000, -0.0046526900000000, -0.0007257500000000 ] - [ -0.0006538800000000, 0.0019578800000000, -0.0004473200000000 ] - [ -0.0001351800000000, 0.0014149300000000, 0.0001621200000000 ] - [ -0.0003790600000000, 0.0008649100000000, -0.0004673000000000 ] - [ 0.0012514600000000, 0.0009470500000000, 0.0009166400000000 ] - [ 0.0003655800000000, 0.0007742400000000, -0.0003007800000000 ] - [ -0.0003883200000000, -0.0004777800000000, -0.0003788500000000 ] - [ -0.0003172700000000, 0.0007738300000000, -0.0004208800000000 ] - [ 0.0021343400000000, -0.0000303800000000, -0.0002488300000000 ] - [ 0.0007892800000000, 0.0004728000000000, -0.0000236300000000 ] - [ -0.0007280400000000, 0.0000727000000000, -0.0002088700000000 ] - [ -0.0007628400000000, 0.0033921400000000, 0.0033292200000000 ] - [ -0.0001339100000000, -0.0008165200000000, 0.0006221400000000 ] - [ -0.0004299000000000, -0.0015205000000000, -0.0012144700000000 ] - [ 0.0000656000000000, 0.0005872100000000, -0.0000273700000000 ] - [ -0.0105031200000000, 0.0586366100000000, 0.0129474100000000 ] - [ -0.0001997500000000, 0.0027215900000000, 0.0017359200000000 ] - [ -0.0005558800000000, 0.0010111700000000, -0.0009836300000000 ] - [ -0.0001644800000000, 0.0005510800000000, -0.0006656900000000 ] - [ -0.0026742600000000, -0.0016644100000000, -0.0018196300000000 ] - [ -0.0003302900000000, -0.0010412600000000, 0.0002266000000000 ] - [ -0.0021768600000000, 0.0019776400000000, 0.0006897400000000 ] - [ 0.0003874400000000, 0.0014845200000000, -0.0017718700000000 ] - [ 0.0626973200000000, 0.1132259100000000, 0.0758669300000000 ] - [ 0.0001325900000000, 0.0003791800000000, 0.0000195700000000 ] - [ -0.0002547900000000, 0.0034878300000000, -0.0011149400000000 ] - [ 0.0006998700000000, 0.0011431800000000, -0.0009775300000000 ] - [ -0.0718816800000000, 0.1478127300000000, 0.0988017900000000 ] - [ 0.0000359900000000, -0.0008171200000000, 0.0004132300000000 ] - [ 0.0001074800000000, 0.0027203500000000, -0.0013645100000000 ] - [ 0.0007439300000000, -0.0003625300000000, -0.0001695000000000 ] - [ -0.0003259200000000, -0.0086558500000000, -0.0056124700000000 ] - [ 0.0003380800000000, -0.0006741800000000, 0.0005725100000000 ] - [ -0.0025617900000000, -0.0009097600000000, 0.0066796000000000 ] - [ 0.0000743600000000, 0.0009152300000000, 0.0000291800000000 ] - [ -0.0003254100000000, 0.0017704600000000, -0.0010411200000000 ] - [ 0.0015419900000000, -0.0022086000000000, -0.0024515600000000 ] - [ 0.0147254900000000, 0.0011641500000000, 0.0007377300000000 ] - [ -0.0011835500000000, -0.0014310600000000, 0.0001469200000000 ] - [ -0.0000104600000000, -0.0018698700000000, -0.0009729500000000 ] - [ -0.0006371600000000, 0.0001263400000000, -0.0004095000000000 ] - [ -0.0004466000000000, -0.0019407600000000, -0.0004100300000000 ] - [ 0.0009861600000000, -0.0016716500000000, 0.0006278800000000 ] - [ 0.0127169500000000, -0.0024196200000000, -0.0028968700000000 ] - [ 0.0032453900000000, 0.0011516200000000, -0.0010889500000000 ] - [ 0.0008887300000000, -0.0011283500000000, 0.0002806600000000 ] - [ 0.0003236700000000, -0.0011858300000000, 0.0006527500000000 ] - [ -0.0000974000000000, -0.0039307800000000, -0.0035299400000000 ] - [ -0.0002758400000000, 0.0000082000000000, -0.0002613900000000 ] - [ -0.0000355800000000, -0.0029871800000000, -0.0010515700000000 ] - [ 0.0007049600000000, -0.0005868400000000, 0.0005996600000000 ] - [ 0.0006555800000000, -0.0036490700000000, -0.0020268900000000 ] - [ 0.0000300300000000, 0.0002535800000000, -0.0001900300000000 ] - [ -0.0009424000000000, -0.0032546100000000, -0.0007405600000000 ] - [ -0.0005758200000000, -0.0001013800000000, -0.0000171700000000 ] - [ -0.0032093400000000, -0.0079601300000000, -0.0072151000000000 ] - [ 0.0010252400000000, 0.0011605000000000, -0.0003670800000000 ] - [ 0.0009899600000000, -0.0011831400000000, 0.0018673500000000 ] - [ -0.0000504300000000, -0.0007938900000000, 0.0007925700000000 ] - [ 0.0002322700000000, -0.0005838800000000, -0.0000065700000000 ] - [ -0.0026765800000000, 0.0020985300000000, -0.0000930100000000 ] - [ -0.0003445600000000, -0.0000940400000000, -0.0005517000000000 ] - [ 0.0001650500000000, -0.0001664800000000, -0.0004767100000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004075100000000, 0.0014995200000000, 0.0006879300000000 ] - [ -0.0036570400000000, 0.0013901600000000, 0.0001081800000000 ] - [ -0.0005142300000000, -0.0012675500000000, 0.0004923600000000 ] - [ 0.0007228500000000, -0.0010806100000000, -0.0004103600000000 ] - [ 0.0191263100000000, 0.0030488100000000, 0.0044724600000000 ] - [ -0.0012455600000000, 0.0020321100000000, -0.0013152900000000 ] - [ -0.0491575800000000, 0.3516141100000000, 0.2181904800000000 ] - [ 0.0017059500000000, -0.0010171600000000, 0.0006804500000000 ] - [ 0.0000154800000000, 0.0017356300000000, -0.0026927400000000 ] - [ -0.0004528500000000, 0.0003310000000000, -0.0004011600000000 ] - [ -0.0037816700000000, -0.0052003000000000, -0.0050764000000000 ] - [ 0.0000448500000000, -0.0004630900000000, 0.0002088200000000 ] - [ -0.0041289800000000, 0.0073397700000000, 0.0043541800000000 ] - [ 0.0010908700000000, 0.0010693500000000, -0.0006413300000000 ] - [ -0.0016011500000000, -0.0020266500000000, -0.0019286100000000 ] - [ 0.0004012500000000, -0.0025206700000000, -0.0001403100000000 ] - [ -0.0001727100000000, -0.0030634700000000, -0.0020450000000000 ] - [ -0.0002169300000000, -0.0000857700000000, 0.0001286800000000 ] - [ -0.0003570900000000, -0.0038854800000000, -0.0013500600000000 ] - [ 0.0012920300000000, -0.0009673600000000, 0.0010194600000000 ] - [ 0.0031730700000000, -0.0329649900000000, -0.0328843700000000 ] - [ 0.0021632900000000, 0.0005855100000000, -0.0002548800000000 ] - [ 0.0009654700000000, -0.0034553700000000, 0.0005705100000000 ] - [ 0.0001432500000000, -0.0008850900000000, 0.0008918200000000 ] - [ -0.0002501400000000, 0.0002184900000000, -0.0000601500000000 ] - [ -0.0001181500000000, -0.0009964400000000, -0.0000872900000000 ] - [ -0.0000653200000000, -0.0004937300000000, -0.0000447200000000 ] - [ -0.0002528500000000, 0.0009420500000000, -0.0000697900000000 ] - [ -0.0002933400000000, 0.0012688700000000, -0.0005964600000000 ] - [ 0.0017352200000000, -0.0020321300000000, -0.0030620800000000 ] - [ 0.0013640000000000, 0.0022879400000000, -0.0025039500000000 ] - [ -0.0005845900000000, -0.0001610200000000, 0.0006387200000000 ] - [ -0.0001138700000000, 0.0006036500000000, -0.0006157300000000 ] - [ 0.0015776700000000, 0.0000796900000000, -0.0002835000000000 ] - [ 0.0267974200000000, -0.0012183500000000, 0.0009970300000000 ] - [ -0.0009051600000000, 0.0001773300000000, -0.0001346100000000 ] - [ 0.0029771100000000, -0.0127640400000000, -0.0075949000000000 ] - [ -0.0000291600000000, -0.0007346500000000, 0.0005528800000000 ] - [ -0.0005428300000000, -0.0032129600000000, 0.0003319700000000 ] - [ 0.0004839200000000, 0.0006951600000000, -0.0001610700000000 ] - [ 0.0003832200000000, -0.0011083600000000, 0.0004735500000000 ] - [ -0.0053458300000000, 0.0052148700000000, 0.0009540200000000 ] - [ 0.0009796800000000, -0.0024728200000000, 0.0006808700000000 ] - [ -0.0001872000000000, -0.0009096200000000, 0.0000697900000000 ] - [ 0.0001418300000000, -0.0003190900000000, 0.0006331900000000 ] - [ -0.0010227300000000, -0.0014958800000000, -0.0007596600000000 ] - [ -0.0001297900000000, -0.0002300700000000, 0.0004691400000000 ] - [ 0.0001561600000000, -0.0000639100000000, 0.0005509200000000 ] - [ -0.0003698600000000, -0.0009737900000000, -0.0000877500000000 ] - [ -0.0014770100000000, 0.0002359900000000, -0.0002603700000000 ] - [ -0.0001137600000000, -0.0006775800000000, -0.0004873800000000 ] - [ 0.0000578500000000, 0.0001309700000000, -0.0003013500000000 ] - [ 0.0009442000000000, -0.0033286500000000, -0.0029204300000000 ] - [ -0.0000427900000000, 0.0007660400000000, -0.0002077100000000 ] - [ 0.0002551200000000, 0.0015959100000000, 0.0016448500000000 ] - [ 0.0001116100000000, -0.0006501100000000, 0.0004481700000000 ] - [ 0.0122636500000000, -0.0590070500000000, -0.0130516800000000 ] - [ -0.0000493300000000, -0.0024476900000000, -0.0017773200000000 ] - [ 0.0003181100000000, -0.0012271900000000, 0.0009521000000000 ] - [ 0.0003950300000000, -0.0003300600000000, 0.0006323100000000 ] - [ 0.0024817200000000, 0.0019697300000000, 0.0018718400000000 ] - [ 0.0005410400000000, 0.0007403100000000, -0.0001806700000000 ] - [ 0.0023495100000000, -0.0016582300000000, -0.0006340000000000 ] - [ -0.0006037400000000, -0.0017839900000000, 0.0018185900000000 ] - [ -0.0587311600000000, -0.1119834800000000, -0.0724188000000000 ] - [ -0.0008181400000000, 0.0001736400000000, -0.0005065700000000 ] - [ -0.0004207400000000, -0.0039951500000000, 0.0006521700000000 ] - [ -0.0000294300000000, -0.0005978400000000, 0.0004988400000000 ] - [ 0.0763424500000000, -0.1508860300000000, -0.1042808000000000 ] - [ -0.0001140100000000, 0.0004050900000000, -0.0003572600000000 ] - [ -0.0001667300000000, -0.0023076600000000, 0.0014354700000000 ] - [ -0.0006820000000000, -0.0000565300000000, 0.0002357100000000 ] - [ -0.0003925100000000, 0.0084762800000000, 0.0062218400000000 ] - [ 0.0003880800000000, 0.0008318200000000, 0.0000078200000000 ] - [ 0.0032379000000000, 0.0007446800000000, -0.0059846700000000 ] - [ -0.0008115500000000, -0.0007634500000000, 0.0005471500000000 ] - [ -0.0000260300000000, -0.0005166300000000, 0.0001071100000000 ] - [ -0.0011849900000000, 0.0009516300000000, 0.0015143300000000 ] - [ -0.0144112800000000, 0.0001061000000000, -0.0016604900000000 ] - [ 0.0008159500000000, 0.0001704800000000, -0.0010906400000000 ] - [ 0.0002529400000000, 0.0016529200000000, 0.0009376000000000 ] - [ 0.0004045300000000, 0.0000876500000000, 0.0003755500000000 ] - [ 0.0001975700000000, 0.0017211200000000, 0.0003706200000000 ] - [ -0.0007571600000000, 0.0018918400000000, -0.0006659300000000 ] - [ -0.0129223800000000, 0.0027924600000000, 0.0029723200000000 ] - [ -0.0031238700000000, -0.0014349600000000, 0.0012073100000000 ] - [ -0.0006959900000000, 0.0014320500000000, -0.0002380600000000 ] - [ -0.0005365900000000, 0.0008869600000000, -0.0006113100000000 ] - [ 0.0007786500000000, 0.0033980100000000, 0.0030630800000000 ] - [ -0.0004000400000000, 0.0005339400000000, -0.0002140500000000 ] - [ -0.0006461600000000, 0.0024484400000000, 0.0005685500000000 ] - [ -0.0000304600000000, 0.0011314700000000, -0.0010791400000000 ] - [ -0.0005950900000000, 0.0040859100000000, 0.0020998600000000 ] - [ -0.0000940200000000, -0.0006811500000000, 0.0002572500000000 ] - [ 0.0008781100000000, 0.0036586500000000, 0.0007971500000000 ] - [ 0.0006461400000000, -0.0003252700000000, 0.0000822100000000 ] - [ 0.0024728200000000, 0.0078931400000000, 0.0078495300000000 ] - [ -0.0003148800000000, -0.0010183400000000, 0.0009579800000000 ] - [ -0.0002709000000000, 0.0010365000000000, -0.0013020700000000 ] - [ -0.0006781600000000, 0.0009513400000000, -0.0002128800000000 ] - [ -0.0005764900000000, 0.0018512100000000, -0.0009373400000000 ] - [ 0.0030580200000000, -0.0033977400000000, -0.0008458100000000 ] - [ 0.0007000100000000, 0.0013579800000000, -0.0003894100000000 ] - [ -0.0005253900000000, -0.0010990800000000, -0.0004663800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0029481800000000, -0.0014121300000000, 0.0021858000000000 ] - [ 0.0046697300000000, -0.0007301500000000, 0.0002081700000000 ] - [ -0.0001223100000000, 0.0003296400000000, -0.0003159100000000 ] - [ -0.0007504300000000, 0.0007756800000000, 0.0005933900000000 ] - [ -0.0174078300000000, -0.0051940300000000, -0.0069562200000000 ] - [ -0.0006646100000000, -0.0000445200000000, 0.0026724000000000 ] - [ 0.0041777500000000, -0.2169377600000000, -0.3548740900000000 ] - [ -0.0014522100000000, 0.0001989800000000, -0.0002699900000000 ] - [ 0.0002106100000000, 0.0031628000000000, 0.0077811900000000 ] - [ -0.0002080800000000, -0.0008755000000000, 0.0012606100000000 ] - [ 0.0037390600000000, 0.0044025900000000, 0.0049387600000000 ] - [ 0.0003875400000000, 0.0003499100000000, 0.0000237100000000 ] - [ -0.0034684000000000, -0.0027298600000000, 0.0060414200000000 ] - [ -0.0014895800000000, -0.0006564200000000, 0.0005053800000000 ] - [ 0.0014640200000000, 0.0014445500000000, 0.0015081700000000 ] - [ 0.0003569300000000, 0.0012821900000000, -0.0014603600000000 ] - [ -0.0002854000000000, 0.0025187400000000, 0.0032731300000000 ] - [ 0.0003344800000000, -0.0003465200000000, 0.0006723700000000 ] - [ 0.0001426800000000, 0.0018310300000000, -0.0004829700000000 ] - [ -0.0013454100000000, 0.0005450800000000, -0.0003661300000000 ] - [ -0.0070140500000000, 0.0359010900000000, 0.0378512200000000 ] - [ -0.0009238000000000, -0.0001373500000000, 0.0008794300000000 ] - [ 0.0014297000000000, -0.0004595200000000, -0.0023504500000000 ] - [ -0.0002696300000000, 0.0008496700000000, -0.0006219300000000 ] - [ -0.0002877000000000, -0.0009184200000000, 0.0005227600000000 ] - [ 0.0004538700000000, 0.0011936900000000, 0.0004194800000000 ] - [ 0.0004054300000000, -0.0002588700000000, 0.0004983800000000 ] - [ -0.0000450600000000, 0.0000270200000000, 0.0005101200000000 ] - [ -0.0008897200000000, -0.0002301800000000, 0.0007726100000000 ] - [ -0.0016642400000000, 0.0016514900000000, 0.0035728500000000 ] - [ -0.0008478500000000, -0.0009774100000000, 0.0021480700000000 ] - [ -0.0004964200000000, -0.0008820200000000, -0.0011268600000000 ] - [ -0.0010617400000000, -0.0006211400000000, 0.0013762100000000 ] - [ -0.0007978000000000, 0.0000819600000000, -0.0001855900000000 ] - [ -0.0232775200000000, -0.0011789100000000, -0.0025259500000000 ] - [ -0.0002005200000000, 0.0000460500000000, -0.0003347300000000 ] - [ -0.0016996100000000, 0.0136416500000000, 0.0104486400000000 ] - [ -0.0001173600000000, 0.0004935600000000, -0.0000918700000000 ] - [ -0.0004332000000000, -0.0012667000000000, -0.0024268000000000 ] - [ -0.0002645300000000, -0.0002997800000000, 0.0003283300000000 ] - [ -0.0001445800000000, 0.0003963500000000, -0.0005812000000000 ] - [ 0.0023314800000000, -0.0019446500000000, -0.0018248300000000 ] - [ -0.0005876600000000, 0.0017820100000000, -0.0006595800000000 ] - [ -0.0001139400000000, 0.0009486400000000, -0.0000315100000000 ] - [ -0.0001508500000000, 0.0005293600000000, -0.0002290400000000 ] - [ 0.0011613000000000, 0.0005282900000000, 0.0002792900000000 ] - [ 0.0003437400000000, 0.0006135200000000, -0.0001128500000000 ] - [ -0.0000317000000000, -0.0004337800000000, 0.0000086900000000 ] - [ 0.0000806100000000, 0.0001523800000000, -0.0007065200000000 ] - [ 0.0012391200000000, 0.0000018800000000, -0.0002637600000000 ] - [ 0.0008524000000000, 0.0003557100000000, 0.0001611400000000 ] - [ -0.0004578500000000, 0.0000898300000000, -0.0002010300000000 ] - [ -0.0006272000000000, 0.0045353200000000, 0.0026331900000000 ] - [ -0.0001886800000000, -0.0005348400000000, 0.0005370600000000 ] - [ 0.0000870700000000, -0.0015568200000000, 0.0007113300000000 ] - [ 0.0000608800000000, 0.0002913000000000, 0.0001417300000000 ] - [ 0.0105469200000000, 0.0128890200000000, 0.0554235300000000 ] - [ 0.0023482400000000, -0.0008547900000000, 0.0016458000000000 ] - [ -0.0004380600000000, -0.0004305200000000, -0.0023284900000000 ] - [ 0.0004174000000000, 0.0005929900000000, -0.0013165200000000 ] - [ -0.0027065300000000, -0.0013887600000000, -0.0016409800000000 ] - [ -0.0003617700000000, -0.0006732400000000, -0.0000118300000000 ] - [ 0.0023734800000000, 0.0006044100000000, -0.0012185700000000 ] - [ 0.0009116300000000, 0.0007099100000000, -0.0015244500000000 ] - [ 0.0728843700000000, 0.0743685600000000, 0.1298890100000000 ] - [ -0.0000875700000000, 0.0003535700000000, 0.0000090200000000 ] - [ 0.0009064400000000, -0.0009724500000000, -0.0060225600000000 ] - [ 0.0004903200000000, 0.0011155300000000, -0.0010598500000000 ] - [ -0.0703022600000000, 0.0996039400000000, 0.1394643600000000 ] - [ 0.0004725900000000, -0.0007679500000000, 0.0006284200000000 ] - [ -0.0011253800000000, 0.0004516700000000, -0.0049613900000000 ] - [ 0.0008161500000000, -0.0000730400000000, -0.0003606500000000 ] - [ -0.0002915800000000, -0.0099754800000000, -0.0073696200000000 ] - [ 0.0003571200000000, -0.0004160500000000, 0.0005100900000000 ] - [ 0.0018495100000000, 0.0039154400000000, -0.0004827300000000 ] - [ 0.0000101000000000, 0.0004767400000000, 0.0003555600000000 ] - [ 0.0005518800000000, 0.0013690800000000, -0.0018519000000000 ] - [ 0.0014812200000000, -0.0020288600000000, -0.0029409000000000 ] - [ 0.0139045200000000, 0.0012156900000000, 0.0009653100000000 ] - [ -0.0006078400000000, -0.0010003900000000, 0.0007772900000000 ] - [ 0.0000342500000000, -0.0013880500000000, -0.0011739300000000 ] - [ -0.0004813800000000, 0.0003844400000000, -0.0006500600000000 ] - [ -0.0001526500000000, -0.0010064500000000, 0.0003607100000000 ] - [ 0.0006760500000000, -0.0014111300000000, 0.0008200300000000 ] - [ 0.0153706800000000, -0.0035162200000000, -0.0017974800000000 ] - [ -0.0006551900000000, 0.0020882300000000, 0.0029979500000000 ] - [ -0.0005257000000000, -0.0000757900000000, 0.0008628800000000 ] - [ -0.0000034300000000, -0.0007848600000000, 0.0005778600000000 ] - [ -0.0002103400000000, -0.0035807800000000, -0.0038721500000000 ] - [ -0.0002523400000000, 0.0002405900000000, -0.0004514600000000 ] - [ -0.0003545800000000, -0.0006938400000000, 0.0008635100000000 ] - [ 0.0006769900000000, -0.0004202800000000, 0.0005231300000000 ] - [ 0.0006324000000000, -0.0033539800000000, -0.0024387700000000 ] - [ -0.0000380600000000, 0.0001528500000000, -0.0002202500000000 ] - [ -0.0001229600000000, 0.0000857700000000, 0.0013385700000000 ] - [ -0.0001637600000000, -0.0003014300000000, 0.0001149400000000 ] - [ -0.0034649700000000, -0.0077424300000000, -0.0110487800000000 ] - [ 0.0004312400000000, 0.0006359200000000, -0.0003057900000000 ] - [ -0.0004103000000000, 0.0016683100000000, 0.0008897200000000 ] - [ -0.0001121700000000, -0.0004785100000000, 0.0005715200000000 ] - [ -0.0003878100000000, -0.0000267200000000, 0.0002514400000000 ] - [ -0.0014747000000000, 0.0003556700000000, 0.0003979000000000 ] - [ -0.0003685000000000, 0.0001915200000000, -0.0008469800000000 ] - [ -0.0001327800000000, -0.0004325800000000, -0.0008073000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0029884500000000, 0.0014248600000000, -0.0020505000000000 ] - [ -0.0046669700000000, 0.0007377200000000, -0.0000699600000000 ] - [ 0.0001209600000000, -0.0003262900000000, 0.0004533900000000 ] - [ 0.0007507300000000, -0.0007752900000000, -0.0004483400000000 ] - [ 0.0173711800000000, 0.0051879900000000, 0.0060684100000000 ] - [ 0.0006967800000000, 0.0000457900000000, -0.0033128200000000 ] - [ -0.0147887700000000, 0.2176251300000000, 0.3545262200000000 ] - [ 0.0018909800000000, -0.0005181800000000, 0.0009099400000000 ] - [ 0.0002287700000000, -0.0028467500000000, -0.0071673000000000 ] - [ -0.0001789600000000, 0.0005605100000000, -0.0006315900000000 ] - [ -0.0040596500000000, -0.0046081100000000, -0.0048627800000000 ] - [ -0.0000597100000000, -0.0001479600000000, 0.0000480700000000 ] - [ 0.0038685900000000, 0.0025375100000000, -0.0060110600000000 ] - [ 0.0011795600000000, 0.0008550800000000, -0.0004287500000000 ] - [ -0.0014651800000000, -0.0014436500000000, -0.0021361900000000 ] - [ -0.0003538700000000, -0.0012820400000000, 0.0008256800000000 ] - [ -0.0001142800000000, -0.0021959500000000, -0.0026394000000000 ] - [ 0.0000621000000000, 0.0000257700000000, -0.0000376400000000 ] - [ 0.0002616800000000, -0.0015051400000000, 0.0011231300000000 ] - [ 0.0009562800000000, -0.0008595400000000, 0.0009966200000000 ] - [ 0.0068435100000000, -0.0356276700000000, -0.0376856000000000 ] - [ 0.0012721300000000, 0.0003428000000000, -0.0008189500000000 ] - [ -0.0010960300000000, 0.0002541600000000, 0.0023984500000000 ] - [ -0.0000535700000000, -0.0006454600000000, 0.0006875600000000 ] - [ -0.0000396000000000, 0.0004036500000000, -0.0002896400000000 ] - [ -0.0001287200000000, -0.0006831100000000, -0.0001877600000000 ] - [ -0.0000804000000000, -0.0002453500000000, -0.0002682900000000 ] - [ -0.0002752800000000, 0.0004727300000000, -0.0002801500000000 ] - [ 0.0006427400000000, 0.0007826600000000, -0.0006181400000000 ] - [ 0.0019004800000000, -0.0021972300000000, -0.0034096600000000 ] - [ 0.0010854300000000, 0.0015264800000000, -0.0019856700000000 ] - [ 0.0002673800000000, 0.0003426900000000, 0.0013073100000000 ] - [ 0.0003656100000000, 0.0004131100000000, -0.0018802700000000 ] - [ 0.0014697700000000, 0.0001208200000000, -0.0003252800000000 ] - [ 0.0241449300000000, 0.0008610000000000, 0.0020067200000000 ] - [ -0.0004629700000000, 0.0001567700000000, -0.0001758900000000 ] - [ 0.0019146900000000, -0.0135315400000000, -0.0099344800000000 ] - [ -0.0000589100000000, -0.0005561000000000, 0.0005142900000000 ] - [ 0.0002613500000000, 0.0013529500000000, 0.0028900100000000 ] - [ 0.0004450600000000, 0.0002366900000000, 0.0000957300000000 ] - [ -0.0001858100000000, -0.0009151200000000, 0.0008180700000000 ] - [ -0.0019688900000000, 0.0025334300000000, 0.0021139600000000 ] - [ 0.0009074600000000, -0.0023035100000000, 0.0008935500000000 ] - [ -0.0002118000000000, -0.0004400500000000, 0.0002650300000000 ] - [ -0.0000848400000000, 0.0000172400000000, 0.0003991900000000 ] - [ -0.0009346900000000, -0.0010747000000000, -0.0000959300000000 ] - [ -0.0001074200000000, -0.0000675900000000, 0.0002784900000000 ] - [ -0.0002037800000000, -0.0001136100000000, 0.0001560500000000 ] - [ -0.0007643600000000, -0.0003537300000000, 0.0001997300000000 ] - [ -0.0005437600000000, 0.0002029900000000, -0.0002443300000000 ] - [ -0.0001791200000000, -0.0005584900000000, -0.0006721300000000 ] - [ -0.0002100900000000, 0.0001127400000000, -0.0003093300000000 ] - [ 0.0007986000000000, -0.0044793300000000, -0.0021876200000000 ] - [ 0.0000113000000000, 0.0004786900000000, -0.0001211400000000 ] - [ -0.0002643500000000, 0.0015927000000000, -0.0002976500000000 ] - [ 0.0001168100000000, -0.0003479100000000, 0.0002757400000000 ] - [ -0.0086446600000000, -0.0133346000000000, -0.0552384600000000 ] - [ -0.0026515000000000, 0.0011468300000000, -0.0016805700000000 ] - [ 0.0001737100000000, 0.0002107600000000, 0.0022942100000000 ] - [ -0.0001943000000000, -0.0003801500000000, 0.0012855000000000 ] - [ 0.0025030900000000, 0.0016899200000000, 0.0016752500000000 ] - [ 0.0005673300000000, 0.0003716500000000, 0.0000532200000000 ] - [ -0.0022074400000000, -0.0003044800000000, 0.0012650100000000 ] - [ -0.0011356400000000, -0.0010080400000000, 0.0015655600000000 ] - [ -0.0677837900000000, -0.0702623500000000, -0.1269525000000000 ] - [ -0.0005994700000000, 0.0001859400000000, -0.0004830000000000 ] - [ -0.0016028800000000, 0.0004220200000000, 0.0055761500000000 ] - [ 0.0001825200000000, -0.0005727200000000, 0.0005819500000000 ] - [ 0.0742459800000000, -0.1044500600000000, -0.1421529400000000 ] - [ -0.0005556600000000, 0.0003529400000000, -0.0005741700000000 ] - [ 0.0010579600000000, -0.0000151200000000, 0.0050103000000000 ] - [ -0.0007553700000000, -0.0003526200000000, 0.0004302200000000 ] - [ -0.0004296000000000, 0.0097457400000000, 0.0078817300000000 ] - [ 0.0003684700000000, 0.0005713900000000, 0.0000700300000000 ] - [ -0.0011531700000000, -0.0041389800000000, 0.0010729800000000 ] - [ -0.0007460800000000, -0.0003168100000000, 0.0002151300000000 ] - [ -0.0008902600000000, -0.0001048000000000, 0.0009153100000000 ] - [ -0.0011231700000000, 0.0007643700000000, 0.0020046900000000 ] - [ -0.0135907400000000, 0.0000671700000000, -0.0019020000000000 ] - [ 0.0002439500000000, -0.0002652700000000, -0.0017281200000000 ] - [ 0.0002036400000000, 0.0011651600000000, 0.0011344800000000 ] - [ 0.0002461300000000, -0.0001607200000000, 0.0006107800000000 ] - [ -0.0000867200000000, 0.0007847100000000, -0.0003998500000000 ] - [ -0.0004459500000000, 0.0016335000000000, -0.0008580400000000 ] - [ -0.0155564800000000, 0.0038391000000000, 0.0018952700000000 ] - [ 0.0008382900000000, -0.0023841700000000, -0.0028955300000000 ] - [ 0.0007275400000000, 0.0003785900000000, -0.0008126200000000 ] - [ -0.0002053900000000, 0.0004831100000000, -0.0005322200000000 ] - [ 0.0008865000000000, 0.0030291800000000, 0.0033857100000000 ] - [ -0.0004237300000000, 0.0003047500000000, -0.0000285500000000 ] - [ -0.0003195600000000, 0.0001479000000000, -0.0013386500000000 ] - [ -0.0000038700000000, 0.0009615900000000, -0.0009986700000000 ] - [ -0.0005669800000000, 0.0037770900000000, 0.0025042900000000 ] - [ -0.0000291800000000, -0.0005740000000000, 0.0002858500000000 ] - [ 0.0000580100000000, 0.0003153300000000, -0.0012898300000000 ] - [ 0.0002118300000000, -0.0001211900000000, -0.0000511800000000 ] - [ 0.0027313300000000, 0.0076345000000000, 0.0117128600000000 ] - [ 0.0002863000000000, -0.0004885600000000, 0.0008973600000000 ] - [ 0.0011344000000000, -0.0018016000000000, -0.0002929900000000 ] - [ -0.0006160500000000, 0.0006304100000000, 0.0000140400000000 ] - [ 0.0000390000000000, 0.0012927700000000, -0.0011985900000000 ] - [ 0.0018109200000000, -0.0016701300000000, -0.0013713700000000 ] - [ 0.0007254700000000, 0.0010674200000000, -0.0000930100000000 ] - [ -0.0002293400000000, -0.0008227800000000, -0.0001321300000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007526900000000, -0.0009555700000000, -0.0001806200000000 ] - [ 0.0008225000000000, 0.0001370300000000, 0.0002792500000000 ] - [ -0.0011969000000000, 0.0007120900000000, -0.0001680700000000 ] - [ 0.0113171000000000, -0.0028832800000000, -0.0005311800000000 ] - [ -0.0020759200000000, -0.0001319500000000, -0.0002786500000000 ] - [ 0.0018054000000000, 0.0004977900000000, -0.0003278300000000 ] - [ -0.0083450200000000, 0.0037683300000000, 0.0042188300000000 ] - [ 0.0006027600000000, -0.0000422300000000, 0.0000930900000000 ] - [ -0.0009008900000000, 0.0009461800000000, -0.0009465200000000 ] - [ 0.0021401600000000, 0.0001452400000000, 0.0002080000000000 ] - [ -0.5624390300000000, -0.0107074100000000, -0.0634111100000000 ] - [ 0.0110145400000000, -0.0000322400000000, -0.0016298500000000 ] - [ -0.0001265400000000, 0.0001003700000000, -0.0001907200000000 ] - [ 0.0029742800000000, -0.0005142100000000, 0.0007925400000000 ] - [ 0.0448732900000000, 0.0301298300000000, 0.0346428500000000 ] - [ 0.0038302300000000, 0.0002840900000000, 0.0011553800000000 ] - [ -0.0327707600000000, -0.0030493200000000, -0.0065346000000000 ] - [ 0.0106053300000000, -0.0021312800000000, 0.0014087300000000 ] - [ -0.0012712900000000, -0.0041574100000000, 0.0039718700000000 ] - [ 0.0053994600000000, 0.0010850200000000, -0.0010124200000000 ] - [ -0.0032851700000000, 0.0003244000000000, 0.0001909300000000 ] - [ 0.0009723900000000, -0.0002861000000000, 0.0001024800000000 ] - [ -0.0006454600000000, 0.0008137000000000, 0.0015195500000000 ] - [ 0.0034866800000000, 0.0004623700000000, 0.0002856500000000 ] - [ 0.0002623300000000, -0.0033488300000000, 0.0026889600000000 ] - [ 0.0003489900000000, 0.0022094300000000, 0.0005383700000000 ] - [ 0.0006255300000000, -0.0009278200000000, 0.0003743700000000 ] - [ 0.0002567200000000, 0.0009871300000000, -0.0004313000000000 ] - [ 0.0003797600000000, -0.0002894900000000, 0.0011052300000000 ] - [ -0.0004956100000000, -0.0000179900000000, 0.0006573900000000 ] - [ 0.0011556100000000, 0.0011287500000000, -0.0005852400000000 ] - [ 0.0000756100000000, -0.0002384600000000, 0.0001971000000000 ] - [ -0.0042157500000000, -0.0008384900000000, 0.0004171300000000 ] - [ 0.0008908200000000, 0.0002881500000000, -0.0001018000000000 ] - [ 0.0025086200000000, 0.0014993100000000, 0.0008224900000000 ] - [ 0.0013801200000000, 0.0001067000000000, -0.0003482100000000 ] - [ -0.0075428100000000, 0.0128625700000000, 0.0053239700000000 ] - [ 0.0001144400000000, 0.0012135000000000, -0.0006862600000000 ] - [ -0.0004695400000000, -0.0007443600000000, 0.0000783300000000 ] - [ 0.0007713000000000, -0.0007381200000000, 0.0003423300000000 ] - [ 0.0000974600000000, 0.0009095100000000, -0.0000602400000000 ] - [ -0.0023907100000000, -0.0032952000000000, -0.0005801000000000 ] - [ 0.0015116400000000, -0.0005272000000000, 0.0008839500000000 ] - [ 0.0003602500000000, -0.0006277700000000, -0.0000230800000000 ] - [ 0.0002587500000000, 0.0036494800000000, -0.0028037900000000 ] - [ 0.0085582200000000, -0.0112922600000000, -0.0187655700000000 ] - [ 0.0007654300000000, 0.0006378400000000, -0.0004881700000000 ] - [ 0.0002532500000000, -0.0000296800000000, -0.0002604500000000 ] - [ -0.0055134000000000, 0.0007368000000000, -0.0009430800000000 ] - [ 0.0056754700000000, 0.0000543100000000, -0.0004262700000000 ] - [ 0.0023258100000000, -0.0009552700000000, -0.0009501800000000 ] - [ 0.0043471900000000, 0.0000301600000000, -0.0004312800000000 ] - [ -0.0000082800000000, -0.0019513900000000, -0.0008124500000000 ] - [ 0.0003880500000000, -0.0012109800000000, 0.0008717300000000 ] - [ -0.0008487000000000, 0.0006936700000000, 0.0001133400000000 ] - [ 0.0004524500000000, 0.0003800700000000, 0.0002094300000000 ] - [ 0.0047877200000000, 0.0007689800000000, -0.0002478200000000 ] - [ 0.0000998400000000, -0.0006526700000000, 0.0003197800000000 ] - [ -0.0002224800000000, -0.0008956600000000, 0.0002196200000000 ] - [ -0.0016464600000000, 0.0000849600000000, 0.0001085700000000 ] - [ 0.2674788000000000, -0.0228484900000000, 0.0042679200000000 ] - [ -0.0144940900000000, -0.0081415900000000, 0.0001148500000000 ] - [ -0.0002572700000000, 0.0002826800000000, 0.0001476400000000 ] - [ -0.0024724400000000, -0.0004217100000000, 0.0000455100000000 ] - [ 0.0017652200000000, -0.0022665800000000, -0.0023994000000000 ] - [ -0.0008997300000000, 0.0003599100000000, -0.0002305900000000 ] - [ 0.0002988000000000, -0.0004224100000000, 0.0001262600000000 ] - [ -0.0008030300000000, 0.0004035400000000, -0.0004049500000000 ] - [ 0.0044794900000000, -0.0141849700000000, -0.0075871300000000 ] - [ -0.0010737200000000, -0.0008069300000000, 0.0003600700000000 ] - [ 0.0027615700000000, 0.0000298600000000, 0.0005145300000000 ] - [ -0.0010448700000000, -0.0008466300000000, 0.0002353100000000 ] - [ 0.1656628600000000, 0.0872830600000000, 0.1078847100000000 ] - [ -0.0043043000000000, -0.0013712400000000, 0.0028382500000000 ] - [ 0.0010577500000000, 0.0001060900000000, 0.0004185000000000 ] - [ -0.0019259100000000, 0.0014164300000000, -0.0002964400000000 ] - [ 0.0011446000000000, 0.0031595100000000, -0.0025901600000000 ] - [ 0.0002207400000000, -0.0020053700000000, -0.0011082100000000 ] - [ -0.0021299700000000, -0.0001925400000000, -0.0010383000000000 ] - [ -0.0013747500000000, -0.0002084300000000, -0.0003800000000000 ] - [ 0.0182408100000000, -0.0120445900000000, -0.0097932200000000 ] - [ -0.0140375000000000, 0.0010429400000000, -0.0094728300000000 ] - [ -0.0013114900000000, 0.0010277000000000, -0.0020619400000000 ] - [ -0.0041135300000000, -0.0003496300000000, -0.0002784500000000 ] - [ 0.0022399300000000, 0.0001251400000000, 0.0000382900000000 ] - [ 0.0001759000000000, 0.0006625000000000, -0.0006515500000000 ] - [ -0.0003799300000000, 0.0002337100000000, -0.0002452400000000 ] - [ -0.0033357200000000, -0.0001023700000000, -0.0003798500000000 ] - [ 0.1054035100000000, -0.0598259600000000, -0.0552032700000000 ] - [ -0.0055462100000000, 0.0005585300000000, 0.0000010400000000 ] - [ 0.0009051300000000, 0.0001516500000000, -0.0019999100000000 ] - [ -0.0017990000000000, -0.0001064900000000, 0.0000855100000000 ] - [ 0.0023046900000000, 0.0062286800000000, 0.0064775400000000 ] - [ -0.0060189100000000, 0.0025345100000000, -0.0019066100000000 ] - [ 0.0040107000000000, 0.0024743100000000, -0.0006706300000000 ] - [ -0.0048207900000000, -0.0008166100000000, 0.0011702200000000 ] - [ 0.0001965900000000, 0.0011906800000000, 0.0010342100000000 ] - [ -0.0003156700000000, 0.0007434200000000, -0.0000592500000000 ] - [ 0.0022195700000000, -0.0012808600000000, 0.0001047000000000 ] - [ -0.0018242200000000, -0.0002245100000000, -0.0005016200000000 ] - [ 0.0019880200000000, -0.0021168300000000, 0.0015755000000000 ] - [ -0.0046946600000000, 0.0065503900000000, 0.0108777600000000 ] - [ -0.0012038100000000, 0.0012299200000000, 0.0000605000000000 ] - [ -0.0037052800000000, -0.0013855400000000, 0.0008963700000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007590300000000, 0.0009579600000000, 0.0003229000000000 ] - [ -0.0008269700000000, -0.0001354500000000, -0.0001351200000000 ] - [ 0.0012089300000000, -0.0007150200000000, 0.0003128000000000 ] - [ -0.0112246700000000, 0.0028483900000000, 0.0006708000000000 ] - [ 0.0020814200000000, 0.0001385400000000, -0.0003500400000000 ] - [ -0.0018180100000000, -0.0004947300000000, -0.0003066800000000 ] - [ 0.0079513500000000, -0.0034448600000000, -0.0035798600000000 ] - [ -0.0002005100000000, -0.0002760900000000, 0.0005411700000000 ] - [ 0.0012796300000000, -0.0006400800000000, 0.0015785400000000 ] - [ -0.0025453100000000, -0.0004634400000000, 0.0004243100000000 ] - [ 0.5801989900000000, 0.0054070000000000, 0.0601439400000000 ] - [ -0.0107145600000000, 0.0002355500000000, 0.0017000300000000 ] - [ 0.0004424200000000, -0.0002984100000000, 0.0002597900000000 ] - [ -0.0033075600000000, 0.0007211100000000, -0.0007281900000000 ] - [ -0.0455610900000000, -0.0302129700000000, -0.0354840800000000 ] - [ -0.0038552700000000, -0.0002885400000000, -0.0017808900000000 ] - [ 0.0326970900000000, 0.0035011300000000, 0.0073244500000000 ] - [ -0.0102223700000000, 0.0018196800000000, -0.0007865300000000 ] - [ 0.0016182200000000, 0.0044896300000000, -0.0033655200000000 ] - [ -0.0058067500000000, -0.0014113000000000, 0.0016559000000000 ] - [ 0.0029711600000000, -0.0005185100000000, -0.0001132100000000 ] - [ -0.0006438200000000, 0.0004906300000000, -0.0000344100000000 ] - [ 0.0009472600000000, -0.0010220700000000, -0.0014528200000000 ] - [ -0.0038237100000000, -0.0002649500000000, -0.0002143100000000 ] - [ -0.0005834500000000, 0.0028497700000000, -0.0024637400000000 ] - [ -0.0000248000000000, -0.0017158200000000, -0.0003069500000000 ] - [ -0.0003022800000000, 0.0004216000000000, -0.0001422600000000 ] - [ -0.0005852000000000, -0.0004722600000000, 0.0006638600000000 ] - [ -0.0006158700000000, 0.0008346500000000, -0.0009386200000000 ] - [ 0.0007344700000000, -0.0005274100000000, -0.0004918800000000 ] - [ -0.0009210400000000, -0.0005819900000000, 0.0007530200000000 ] - [ -0.0003134200000000, -0.0003071300000000, -0.0000305600000000 ] - [ 0.0035570000000000, 0.0006303100000000, -0.0009233300000000 ] - [ -0.0002163400000000, -0.0000853200000000, -0.0004083200000000 ] - [ -0.0018379200000000, -0.0017117100000000, -0.0013350000000000 ] - [ -0.0020600800000000, 0.0000960300000000, -0.0001608700000000 ] - [ 0.0078834400000000, -0.0126704700000000, -0.0048397800000000 ] - [ -0.0002920700000000, -0.0012817100000000, 0.0011112500000000 ] - [ 0.0002926900000000, 0.0008176200000000, 0.0003447200000000 ] - [ -0.0005954300000000, 0.0006829600000000, 0.0000757500000000 ] - [ -0.0004232300000000, -0.0014188400000000, 0.0002919700000000 ] - [ 0.0027341400000000, 0.0038295000000000, 0.0008135500000000 ] - [ -0.0011902700000000, 0.0000199300000000, -0.0006494300000000 ] - [ -0.0006893800000000, 0.0011375800000000, 0.0002576100000000 ] - [ -0.0004891900000000, -0.0031195700000000, 0.0029841200000000 ] - [ -0.0083970500000000, 0.0108152100000000, 0.0190417100000000 ] - [ -0.0005326700000000, -0.0000940700000000, 0.0006567300000000 ] - [ -0.0004957300000000, -0.0005213700000000, 0.0004188100000000 ] - [ 0.0048662400000000, -0.0009279800000000, 0.0004223900000000 ] - [ -0.0050244400000000, 0.0001479000000000, -0.0000853600000000 ] - [ -0.0016911000000000, 0.0007593900000000, 0.0004447300000000 ] - [ -0.0050259300000000, 0.0001736600000000, -0.0000787600000000 ] - [ 0.0001819100000000, 0.0020381600000000, 0.0012457800000000 ] - [ -0.0005656200000000, 0.0011553400000000, -0.0004540400000000 ] - [ 0.0006671100000000, -0.0006445500000000, 0.0003137400000000 ] - [ -0.0002764500000000, -0.0004407100000000, 0.0002099000000000 ] - [ -0.0045612600000000, -0.0009997200000000, 0.0002071600000000 ] - [ -0.0003407000000000, 0.0008712800000000, -0.0003581000000000 ] - [ -0.0000025800000000, 0.0006748600000000, -0.0002554100000000 ] - [ 0.0018903300000000, 0.0001341100000000, -0.0001460100000000 ] - [ -0.2888530100000000, 0.0255725000000000, -0.0046099900000000 ] - [ 0.0147535500000000, 0.0078255500000000, -0.0000711300000000 ] - [ 0.0004718400000000, 0.0000159800000000, -0.0001043800000000 ] - [ 0.0022749300000000, 0.0001161900000000, 0.0000009300000000 ] - [ -0.0010934100000000, 0.0017159300000000, 0.0019145000000000 ] - [ 0.0002238700000000, 0.0001831800000000, -0.0002471800000000 ] - [ -0.0009709600000000, -0.0001186200000000, -0.0006036900000000 ] - [ 0.0014802700000000, 0.0001382300000000, -0.0000704900000000 ] - [ -0.0044256000000000, 0.0145817500000000, 0.0076323000000000 ] - [ 0.0010127900000000, 0.0003891300000000, -0.0002986100000000 ] - [ -0.0028225500000000, 0.0004079700000000, -0.0004541000000000 ] - [ 0.0011090400000000, 0.0004253900000000, -0.0001704700000000 ] - [ -0.1630594500000000, -0.0829868700000000, -0.1017870100000000 ] - [ 0.0050335800000000, 0.0015356400000000, -0.0022628200000000 ] - [ -0.0003294300000000, -0.0002717400000000, 0.0001599500000000 ] - [ 0.0012024600000000, -0.0012689500000000, 0.0008809600000000 ] - [ -0.0015091400000000, -0.0018999000000000, 0.0016539800000000 ] - [ 0.0001334800000000, 0.0007504700000000, 0.0001689200000000 ] - [ 0.0024898900000000, 0.0014543700000000, 0.0000943800000000 ] - [ 0.0010250200000000, -0.0010555200000000, -0.0005623300000000 ] - [ -0.0180780400000000, 0.0119401500000000, 0.0098627000000000 ] - [ 0.0138313300000000, -0.0008341500000000, 0.0094102700000000 ] - [ 0.0011040100000000, -0.0012437100000000, 0.0020203400000000 ] - [ 0.0043616000000000, 0.0005744200000000, 0.0002292900000000 ] - [ -0.0024543700000000, 0.0001726900000000, 0.0000026700000000 ] - [ 0.0000256200000000, -0.0009669600000000, 0.0006953400000000 ] - [ 0.0006080500000000, 0.0000701900000000, 0.0002898500000000 ] - [ 0.0031421300000000, -0.0001980200000000, 0.0004234700000000 ] - [ -0.1047367000000000, 0.0573392000000000, 0.0528800900000000 ] - [ 0.0048712000000000, -0.0000174500000000, -0.0004713600000000 ] - [ -0.0015746400000000, -0.0006980000000000, 0.0015384700000000 ] - [ 0.0024789300000000, 0.0006569900000000, -0.0005693900000000 ] - [ -0.0022478300000000, -0.0059075800000000, -0.0065150100000000 ] - [ 0.0059625900000000, -0.0029581800000000, 0.0019764100000000 ] - [ -0.0040645200000000, -0.0020776200000000, 0.0007566400000000 ] - [ 0.0048992400000000, 0.0003974800000000, -0.0011111000000000 ] - [ -0.0009233000000000, -0.0013669500000000, -0.0004665900000000 ] - [ 0.0010436400000000, -0.0005930200000000, 0.0006419700000000 ] - [ -0.0014896900000000, 0.0011361600000000, 0.0004620500000000 ] - [ 0.0011004100000000, 0.0003796900000000, 0.0010848600000000 ] - [ -0.0023589400000000, 0.0033868600000000, -0.0025203100000000 ] - [ 0.0050654300000000, -0.0078498600000000, -0.0118554200000000 ] - [ 0.0015766100000000, 0.0000357100000000, -0.0009968400000000 ] - [ 0.0033513700000000, 0.0001188400000000, -0.0018234500000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003647100000000, 0.0014471600000000, -0.0002421100000000 ] - [ 0.0000940600000000, 0.0007871000000000, 0.0004260200000000 ] - [ 0.0004513100000000, -0.0011317300000000, 0.0013047200000000 ] - [ -0.0020282500000000, -0.0038839100000000, -0.0026743600000000 ] - [ -0.0007513000000000, 0.0022288700000000, 0.0009067600000000 ] - [ 0.0004542400000000, 0.0022785200000000, -0.0003576200000000 ] - [ -0.0035233700000000, 0.0052548200000000, 0.0048261000000000 ] - [ 0.0002261900000000, 0.0004057000000000, 0.0000671400000000 ] - [ 0.0014383800000000, 0.0035142500000000, -0.0000414000000000 ] - [ -0.0003846500000000, 0.0008271700000000, -0.0004315900000000 ] - [ -0.0124569900000000, -0.3448743900000000, -0.2134165800000000 ] - [ 0.0000372200000000, 0.0006326700000000, 0.0001146200000000 ] - [ -0.0000277000000000, 0.0036596600000000, 0.0015533500000000 ] - [ 0.0004564900000000, 0.0008711800000000, -0.0006115900000000 ] - [ 0.0101897200000000, -0.0118453800000000, -0.0113515400000000 ] - [ -0.0001998100000000, -0.0020114600000000, 0.0013604500000000 ] - [ 0.0159504400000000, 0.0329775700000000, 0.0358394100000000 ] - [ 0.0005949900000000, -0.0006484000000000, 0.0005580000000000 ] - [ -0.0032595200000000, -0.0072818000000000, -0.0022973100000000 ] - [ 0.0006435200000000, -0.0011283800000000, 0.0010718900000000 ] - [ 0.0002571200000000, 0.0030628100000000, 0.0025281500000000 ] - [ -0.0002268900000000, 0.0004925500000000, 0.0000158700000000 ] - [ -0.0007507400000000, -0.0012412700000000, 0.0033650000000000 ] - [ -0.0005265800000000, -0.0008641700000000, 0.0009140100000000 ] - [ -0.0009154900000000, -0.0008565500000000, -0.0002588300000000 ] - [ 0.0014794900000000, 0.0029827200000000, 0.0009477100000000 ] - [ -0.0002119300000000, 0.0010610000000000, -0.0003460400000000 ] - [ 0.0003664400000000, 0.0001103300000000, -0.0004830500000000 ] - [ -0.0002786600000000, 0.0006311800000000, -0.0002719700000000 ] - [ -0.0001370600000000, 0.0003823700000000, 0.0009342200000000 ] - [ 0.0008588600000000, 0.0011468700000000, -0.0006156800000000 ] - [ -0.0001772200000000, 0.0001768400000000, 0.0001314000000000 ] - [ -0.0011710700000000, 0.0004444400000000, -0.0010511300000000 ] - [ 0.0014866200000000, 0.0002428800000000, -0.0002094200000000 ] - [ 0.0025875500000000, 0.0008971900000000, 0.0004486600000000 ] - [ -0.0005767900000000, 0.0001868600000000, -0.0002368200000000 ] - [ 0.0161003000000000, 0.0197655800000000, 0.0190957800000000 ] - [ -0.0000353300000000, 0.0000438600000000, 0.0002137900000000 ] - [ -0.0000156400000000, 0.0022618300000000, 0.0003311600000000 ] - [ 0.0001530900000000, 0.0000739500000000, 0.0001078500000000 ] - [ 0.0000669500000000, 0.0005840200000000, -0.0000243000000000 ] - [ -0.0004404200000000, 0.0008848500000000, 0.0006079000000000 ] - [ 0.0013133400000000, -0.0006839100000000, 0.0009715000000000 ] - [ -0.0003968900000000, 0.0001921700000000, -0.0000226400000000 ] - [ 0.0008495800000000, -0.0002619900000000, 0.0001761500000000 ] - [ -0.0033150500000000, -0.0007490200000000, -0.0005657400000000 ] - [ -0.0004698700000000, -0.0004977000000000, 0.0012388600000000 ] - [ -0.0005046600000000, -0.0009168800000000, 0.0002157300000000 ] - [ 0.0014544500000000, 0.0006548800000000, -0.0017558100000000 ] - [ -0.0011694600000000, -0.0000711200000000, -0.0003723000000000 ] - [ -0.0044102800000000, 0.0016958500000000, 0.0007531900000000 ] - [ -0.0001023400000000, -0.0000007800000000, -0.0002823000000000 ] - [ -0.0004605200000000, 0.0047317400000000, 0.0030240100000000 ] - [ -0.0001102600000000, -0.0002022600000000, 0.0002961900000000 ] - [ -0.0000821600000000, -0.0020468200000000, -0.0010050700000000 ] - [ 0.0000578500000000, 0.0000382800000000, 0.0002816800000000 ] - [ 0.0022168400000000, -0.0020457900000000, -0.0013940600000000 ] - [ 0.0000913900000000, -0.0009332300000000, 0.0001046900000000 ] - [ -0.0011560700000000, -0.0012811100000000, -0.0000254000000000 ] - [ 0.0000288300000000, -0.0013965300000000, 0.0004994400000000 ] - [ -0.0269458700000000, 0.0597790400000000, 0.0145993900000000 ] - [ 0.0035696600000000, 0.0042871400000000, 0.0017624300000000 ] - [ 0.0002232300000000, -0.0013204100000000, -0.0002687500000000 ] - [ -0.0005671100000000, -0.0011034100000000, 0.0006787800000000 ] - [ 0.0003732700000000, -0.0038885800000000, -0.0035092100000000 ] - [ -0.0003358500000000, -0.0001737100000000, -0.0000705200000000 ] - [ -0.0006663400000000, -0.0029482600000000, -0.0008604700000000 ] - [ 0.0002894900000000, -0.0005794500000000, 0.0005100400000000 ] - [ 0.0004125200000000, -0.0070094000000000, -0.0045748500000000 ] - [ 0.0001387600000000, -0.0005344000000000, 0.0001524700000000 ] - [ -0.0002545100000000, -0.0010971800000000, 0.0014395000000000 ] - [ -0.0006671900000000, -0.0007207100000000, 0.0002425200000000 ] - [ 0.0699161100000000, 0.1229663200000000, 0.0863826100000000 ] - [ 0.0006776000000000, 0.0000283000000000, 0.0001299600000000 ] - [ 0.0008572500000000, -0.0030490300000000, -0.0003001900000000 ] - [ -0.0003125500000000, -0.0002939300000000, 0.0005697100000000 ] - [ 0.0006669100000000, 0.0004174700000000, 0.0002246200000000 ] - [ -0.0008787600000000, -0.0027756500000000, -0.0012815400000000 ] - [ -0.0020193500000000, -0.0002128100000000, -0.0010927200000000 ] - [ 0.0000441500000000, -0.0009610100000000, -0.0004591800000000 ] - [ -0.0165272500000000, 0.0014951400000000, -0.0010068500000000 ] - [ -0.0008531200000000, 0.0019887200000000, 0.0004337200000000 ] - [ 0.0012269500000000, 0.0021683000000000, -0.0002236100000000 ] - [ -0.0004264700000000, 0.0014058500000000, -0.0010315500000000 ] - [ -0.0002101800000000, -0.0013221700000000, -0.0011704300000000 ] - [ 0.0005490400000000, -0.0007233200000000, -0.0000248300000000 ] - [ 0.0007238400000000, 0.0010724200000000, -0.0010038500000000 ] - [ 0.0002019600000000, 0.0007644300000000, -0.0011067200000000 ] - [ -0.0567142600000000, 0.1288393300000000, 0.0768537900000000 ] - [ -0.0002755300000000, 0.0004694100000000, -0.0002921800000000 ] - [ -0.0002795700000000, 0.0027085100000000, -0.0015665000000000 ] - [ 0.0000751800000000, 0.0013213200000000, -0.0011721700000000 ] - [ 0.0034563000000000, -0.0110748400000000, -0.0076044500000000 ] - [ -0.0003389800000000, 0.0001725800000000, -0.0001667300000000 ] - [ 0.0016261800000000, -0.0000104100000000, 0.0049638500000000 ] - [ 0.0008210200000000, 0.0001932000000000, -0.0000882100000000 ] - [ -0.0005128700000000, -0.0042364800000000, -0.0023731400000000 ] - [ 0.0003971300000000, 0.0000244700000000, 0.0001861000000000 ] - [ 0.0005273300000000, 0.0024859700000000, -0.0014980600000000 ] - [ -0.0006427600000000, 0.0004201400000000, -0.0001631600000000 ] - [ -0.0015260000000000, 0.0003922300000000, -0.0001181200000000 ] - [ 0.0020062100000000, -0.0002970900000000, 0.0000201400000000 ] - [ 0.0032505300000000, -0.0001888400000000, -0.0010826300000000 ] - [ -0.0003436900000000, 0.0003456100000000, 0.0000742200000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003563000000000, -0.0014451100000000, 0.0003856900000000 ] - [ -0.0000911300000000, -0.0007881000000000, -0.0002833600000000 ] - [ -0.0004516800000000, 0.0011366300000000, -0.0011636400000000 ] - [ 0.0020166200000000, 0.0039016700000000, 0.0028192500000000 ] - [ 0.0007449700000000, -0.0022302100000000, -0.0015394100000000 ] - [ -0.0004385700000000, -0.0022785100000000, -0.0002761500000000 ] - [ 0.0031055000000000, -0.0049302700000000, -0.0041839000000000 ] - [ 0.0001674200000000, -0.0007230500000000, 0.0005656700000000 ] - [ -0.0010161800000000, -0.0031820500000000, 0.0006721500000000 ] - [ -0.0000086900000000, -0.0011431800000000, 0.0010637100000000 ] - [ 0.0036494600000000, 0.3482378900000000, 0.2158864200000000 ] - [ 0.0003040200000000, -0.0004266300000000, -0.0000509200000000 ] - [ 0.0003709200000000, -0.0038619800000000, -0.0014859700000000 ] - [ -0.0007786400000000, -0.0006718700000000, 0.0006826800000000 ] - [ -0.0102180200000000, 0.0120689900000000, 0.0107261900000000 ] - [ 0.0002028400000000, 0.0020266100000000, -0.0019935200000000 ] - [ -0.0162543100000000, -0.0327607000000000, -0.0356894800000000 ] - [ -0.0001707900000000, 0.0003220700000000, 0.0000770400000000 ] - [ 0.0036969100000000, 0.0077033700000000, 0.0029702300000000 ] - [ -0.0010432700000000, 0.0008097600000000, -0.0004400900000000 ] - [ -0.0005860300000000, -0.0032619900000000, -0.0024556500000000 ] - [ 0.0005500600000000, -0.0002930600000000, 0.0000545900000000 ] - [ 0.0010857500000000, 0.0010409200000000, -0.0033007800000000 ] - [ 0.0002019500000000, 0.0010709400000000, -0.0008477200000000 ] - [ 0.0005849500000000, 0.0003334800000000, 0.0004927700000000 ] - [ -0.0011555500000000, -0.0024746600000000, -0.0007167000000000 ] - [ 0.0005377800000000, -0.0015663400000000, 0.0005767800000000 ] - [ -0.0006880400000000, 0.0003899300000000, 0.0007137200000000 ] - [ 0.0000426300000000, -0.0000847300000000, 0.0004377500000000 ] - [ 0.0003720100000000, -0.0009263900000000, -0.0007661800000000 ] - [ -0.0006241700000000, -0.0006044100000000, 0.0007864200000000 ] - [ -0.0000544300000000, -0.0007211700000000, 0.0000392300000000 ] - [ 0.0004821500000000, -0.0006458100000000, 0.0005343200000000 ] - [ -0.0008162600000000, -0.0000391700000000, -0.0003002500000000 ] - [ -0.0018964200000000, -0.0011133400000000, -0.0009577900000000 ] - [ -0.0000921700000000, 0.0000167200000000, -0.0002732200000000 ] - [ -0.0158292300000000, -0.0195372000000000, -0.0181014500000000 ] - [ -0.0001420500000000, -0.0000963500000000, 0.0002020600000000 ] - [ -0.0001614100000000, -0.0022187200000000, 0.0000865400000000 ] - [ 0.0000241200000000, -0.0001397900000000, 0.0003146200000000 ] - [ -0.0003930700000000, -0.0010926300000000, 0.0002570600000000 ] - [ 0.0007571900000000, -0.0003869300000000, -0.0003710500000000 ] - [ -0.0009943600000000, 0.0001685200000000, -0.0007414400000000 ] - [ 0.0000743400000000, 0.0003187400000000, 0.0002564700000000 ] - [ -0.0010921400000000, 0.0008204800000000, -0.0000150200000000 ] - [ 0.0035597800000000, 0.0001307900000000, 0.0007008000000000 ] - [ 0.0007061100000000, 0.0010459200000000, -0.0010729400000000 ] - [ 0.0002677300000000, 0.0003690700000000, -0.0000485600000000 ] - [ -0.0021642000000000, -0.0008597800000000, 0.0012626200000000 ] - [ 0.0018510700000000, 0.0002730000000000, -0.0001387700000000 ] - [ 0.0050832200000000, -0.0018829300000000, -0.0012645300000000 ] - [ -0.0005657500000000, 0.0002035100000000, -0.0002273600000000 ] - [ 0.0006325000000000, -0.0046542800000000, -0.0025934500000000 ] - [ -0.0000667100000000, 0.0001363400000000, 0.0001263500000000 ] - [ -0.0000964000000000, 0.0020874200000000, 0.0014176800000000 ] - [ 0.0001193600000000, -0.0000929600000000, 0.0001365100000000 ] - [ -0.0019701600000000, 0.0018309400000000, 0.0013541600000000 ] - [ -0.0003246000000000, 0.0011519300000000, -0.0001427900000000 ] - [ 0.0009041300000000, 0.0010617400000000, -0.0000120000000000 ] - [ 0.0002024000000000, 0.0016124500000000, -0.0005352900000000 ] - [ 0.0281324200000000, -0.0600799600000000, -0.0144488800000000 ] - [ -0.0033856600000000, -0.0046405800000000, -0.0017218300000000 ] - [ -0.0000318700000000, 0.0016223600000000, 0.0003140500000000 ] - [ 0.0003554300000000, 0.0008057600000000, -0.0006378800000000 ] - [ 0.0003049300000000, 0.0033388800000000, 0.0030258600000000 ] - [ -0.0003388000000000, 0.0007181600000000, -0.0004077900000000 ] - [ -0.0000159600000000, 0.0023983200000000, 0.0003866600000000 ] - [ 0.0003851700000000, 0.0011234800000000, -0.0009879900000000 ] - [ -0.0003532900000000, 0.0074289000000000, 0.0046045800000000 ] - [ -0.0002039800000000, 0.0001079300000000, -0.0000859700000000 ] - [ 0.0001884200000000, 0.0015091300000000, -0.0013580400000000 ] - [ 0.0007310000000000, 0.0002941300000000, -0.0001760200000000 ] - [ -0.0673034000000000, -0.1223442300000000, -0.0827523300000000 ] - [ 0.0000419100000000, 0.0001186000000000, 0.0004604500000000 ] - [ -0.0001327200000000, 0.0029062000000000, 0.0008846100000000 ] - [ -0.0004161200000000, 0.0004543000000000, 0.0000091900000000 ] - [ -0.0010137000000000, 0.0008502500000000, -0.0011633400000000 ] - [ 0.0012387500000000, 0.0015111000000000, 0.0003397500000000 ] - [ 0.0023724400000000, 0.0014853800000000, 0.0001487800000000 ] - [ -0.0004070200000000, -0.0003035800000000, -0.0004860100000000 ] - [ 0.0167926700000000, -0.0017496900000000, 0.0009646700000000 ] - [ 0.0005608000000000, -0.0017633100000000, -0.0005256600000000 ] - [ -0.0014807600000000, -0.0024138900000000, 0.0001821400000000 ] - [ 0.0006645900000000, -0.0011879000000000, 0.0009969500000000 ] - [ 0.0000089700000000, 0.0016231100000000, 0.0012145000000000 ] - [ -0.0003398900000000, 0.0004241400000000, 0.0000692200000000 ] - [ -0.0005199100000000, -0.0007739200000000, 0.0010492900000000 ] - [ -0.0004100000000000, -0.0010694900000000, 0.0011514800000000 ] - [ 0.0610977100000000, -0.1332373000000000, -0.0828358400000000 ] - [ -0.0004063200000000, 0.0000733800000000, -0.0001842700000000 ] - [ -0.0003949100000000, -0.0032836800000000, 0.0010875400000000 ] - [ 0.0006010100000000, -0.0007799600000000, 0.0006967400000000 ] - [ -0.0034248100000000, 0.0113876000000000, 0.0076363400000000 ] - [ 0.0002627500000000, -0.0005829000000000, 0.0002256100000000 ] - [ -0.0017175300000000, 0.0004257600000000, -0.0049826200000000 ] - [ -0.0007617900000000, -0.0006106600000000, 0.0001530700000000 ] - [ -0.0002099900000000, 0.0040653800000000, 0.0029464600000000 ] - [ 0.0003312000000000, 0.0001350500000000, 0.0003939200000000 ] - [ 0.0001990800000000, -0.0026295500000000, 0.0020827300000000 ] - [ -0.0000842500000000, -0.0002715600000000, 0.0007467000000000 ] - [ 0.0011878500000000, 0.0008606400000000, -0.0008241500000000 ] - [ -0.0016612700000000, -0.0009254500000000, -0.0009293400000000 ] - [ -0.0028960600000000, 0.0014438500000000, 0.0001424200000000 ] - [ -0.0000168600000000, -0.0015997400000000, -0.0010158500000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002455000000000, 0.0006251200000000, -0.0006811300000000 ] - [ 0.0001071700000000, 0.0005037500000000, 0.0007672200000000 ] - [ 0.0001293900000000, -0.0005418200000000, 0.0023640800000000 ] - [ -0.0003074200000000, -0.0028590600000000, -0.0043071000000000 ] - [ -0.0009104100000000, 0.0015066000000000, 0.0014172300000000 ] - [ 0.0000412900000000, 0.0012047400000000, -0.0013401900000000 ] - [ -0.0045044600000000, 0.0052667900000000, 0.0052208500000000 ] - [ -0.0001502700000000, 0.0000158400000000, 0.0003035400000000 ] - [ -0.0008549800000000, -0.0003736900000000, -0.0020477600000000 ] - [ -0.0003288600000000, 0.0006971200000000, -0.0003373200000000 ] - [ -0.0670469000000000, -0.2141857100000000, -0.3621902900000000 ] - [ 0.0018482200000000, 0.0000152000000000, -0.0004477300000000 ] - [ 0.0003917500000000, 0.0014165300000000, -0.0008530500000000 ] - [ 0.0005973700000000, 0.0007474800000000, -0.0006496900000000 ] - [ 0.0158965700000000, -0.0088830300000000, -0.0068047000000000 ] - [ 0.0012892100000000, 0.0000307600000000, 0.0030962200000000 ] - [ 0.0131485300000000, 0.0330580700000000, 0.0380356200000000 ] - [ 0.0012863100000000, -0.0004541100000000, 0.0011714600000000 ] - [ 0.0022286000000000, -0.0041980200000000, 0.0063537200000000 ] - [ 0.0014654700000000, -0.0008358500000000, 0.0007817400000000 ] - [ -0.0000126900000000, 0.0023918600000000, 0.0030427000000000 ] - [ 0.0000942900000000, 0.0001197800000000, 0.0003755600000000 ] - [ -0.0013032200000000, 0.0032321200000000, 0.0077808800000000 ] - [ 0.0000906100000000, -0.0007796400000000, 0.0010504700000000 ] - [ 0.0003096300000000, -0.0007811200000000, 0.0001548900000000 ] - [ 0.0015249500000000, 0.0034244500000000, 0.0009999900000000 ] - [ -0.0001347300000000, 0.0008830100000000, -0.0003174600000000 ] - [ -0.0001083900000000, -0.0000842200000000, -0.0003471400000000 ] - [ 0.0000465300000000, 0.0001386300000000, 0.0006273900000000 ] - [ -0.0002058400000000, 0.0003122000000000, 0.0011238100000000 ] - [ 0.0010254300000000, 0.0012792800000000, -0.0008276700000000 ] - [ -0.0001523400000000, -0.0001422600000000, -0.0002704200000000 ] - [ -0.0002392200000000, -0.0007055900000000, -0.0001182400000000 ] - [ 0.0015335700000000, 0.0002296700000000, -0.0001726000000000 ] - [ 0.0028421800000000, 0.0011883500000000, 0.0008301000000000 ] - [ -0.0000343800000000, 0.0001611000000000, -0.0002788500000000 ] - [ 0.0098211400000000, 0.0184533700000000, 0.0194633700000000 ] - [ -0.0001058000000000, 0.0003160700000000, -0.0001009800000000 ] - [ -0.0002667200000000, -0.0010807800000000, -0.0013340000000000 ] - [ 0.0002315600000000, 0.0001600600000000, 0.0000079300000000 ] - [ -0.0001187400000000, -0.0004332100000000, 0.0002471300000000 ] - [ -0.0006851000000000, 0.0007189600000000, 0.0006405700000000 ] - [ 0.0013659500000000, -0.0005908200000000, 0.0010781200000000 ] - [ 0.0002000700000000, -0.0004140400000000, -0.0001146100000000 ] - [ -0.0007259000000000, 0.0003526400000000, -0.0010350400000000 ] - [ -0.0037848700000000, -0.0016987500000000, -0.0044791100000000 ] - [ -0.0004298400000000, -0.0005066500000000, 0.0014096300000000 ] - [ -0.0005362500000000, -0.0005409900000000, 0.0010275500000000 ] - [ -0.0022617300000000, -0.0014483000000000, 0.0002150700000000 ] - [ -0.0008135000000000, -0.0000870100000000, -0.0004237700000000 ] - [ -0.0044924900000000, 0.0011508000000000, 0.0012493500000000 ] - [ -0.0005276900000000, 0.0000232100000000, -0.0002897600000000 ] - [ -0.0004158900000000, 0.0043776100000000, 0.0027006100000000 ] - [ -0.0000223400000000, -0.0003304300000000, 0.0004281100000000 ] - [ -0.0004281300000000, -0.0018523300000000, 0.0015814500000000 ] - [ 0.0000881300000000, -0.0000828400000000, 0.0004202900000000 ] - [ 0.0026588600000000, -0.0017998300000000, -0.0014342300000000 ] - [ 0.0003232200000000, -0.0001605500000000, -0.0001916400000000 ] - [ 0.0002296200000000, -0.0002584800000000, 0.0006480300000000 ] - [ 0.0001125000000000, -0.0010476100000000, 0.0005353800000000 ] - [ 0.0001731400000000, 0.0155797300000000, 0.0585134800000000 ] - [ -0.0025092300000000, -0.0004641100000000, 0.0016902600000000 ] - [ 0.0000520600000000, -0.0005276000000000, 0.0006009200000000 ] - [ -0.0005544200000000, -0.0010036900000000, 0.0009904100000000 ] - [ 0.0005331400000000, -0.0038042800000000, -0.0041098300000000 ] - [ -0.0003498600000000, 0.0002008700000000, -0.0004285900000000 ] - [ -0.0004127000000000, -0.0006450500000000, 0.0009647400000000 ] - [ 0.0001894300000000, -0.0004571900000000, 0.0005069600000000 ] - [ 0.0017008000000000, -0.0101511500000000, -0.0065200900000000 ] - [ -0.0000613800000000, -0.0004866700000000, 0.0002214600000000 ] - [ 0.0007193200000000, 0.0020587100000000, 0.0004442800000000 ] - [ -0.0006867200000000, -0.0006168400000000, 0.0001254700000000 ] - [ 0.0949769500000000, 0.0931310100000000, 0.1458669000000000 ] - [ -0.0002829700000000, -0.0002384300000000, 0.0010104000000000 ] - [ 0.0005783800000000, -0.0002926800000000, 0.0016848400000000 ] - [ -0.0004549900000000, -0.0002158800000000, 0.0006884700000000 ] - [ -0.0004825400000000, 0.0011449000000000, -0.0007208700000000 ] - [ -0.0008851500000000, -0.0029301100000000, -0.0014133900000000 ] - [ -0.0022912900000000, -0.0004276900000000, -0.0012187200000000 ] - [ -0.0005086900000000, -0.0003975100000000, -0.0002090200000000 ] - [ -0.0153526100000000, -0.0011548200000000, -0.0014893000000000 ] - [ 0.0011435000000000, 0.0020019200000000, 0.0031034700000000 ] - [ -0.0019678900000000, 0.0007282600000000, -0.0019261500000000 ] - [ -0.0012293800000000, 0.0007945600000000, -0.0010724000000000 ] - [ 0.0000092300000000, -0.0009625800000000, -0.0014423800000000 ] - [ 0.0004081500000000, -0.0001866000000000, -0.0007135600000000 ] - [ 0.0008050600000000, -0.0003035200000000, -0.0023970700000000 ] - [ -0.0006112800000000, 0.0006044600000000, -0.0016824200000000 ] - [ -0.0514552000000000, 0.0759151800000000, 0.1200859400000000 ] - [ -0.0008818500000000, 0.0004692800000000, -0.0002206200000000 ] - [ -0.0008183600000000, -0.0007537200000000, -0.0058379400000000 ] - [ -0.0001479000000000, 0.0011551300000000, -0.0011305000000000 ] - [ 0.0043102200000000, -0.0074407900000000, -0.0110313800000000 ] - [ -0.0001605400000000, 0.0000682400000000, -0.0003529200000000 ] - [ 0.0000922200000000, 0.0036723200000000, -0.0005567100000000 ] - [ 0.0003260200000000, -0.0000343300000000, 0.0001921800000000 ] - [ -0.0004892600000000, -0.0035383100000000, -0.0024916300000000 ] - [ 0.0003547000000000, 0.0002190800000000, -0.0000462200000000 ] - [ 0.0019519300000000, 0.0001280700000000, -0.0054152400000000 ] - [ -0.0008447800000000, 0.0005043900000000, -0.0004570700000000 ] - [ 0.0009117600000000, 0.0011015900000000, -0.0002383200000000 ] - [ 0.0017122500000000, 0.0006310800000000, 0.0023498800000000 ] - [ 0.0032281200000000, -0.0000630500000000, -0.0011747900000000 ] - [ 0.0004891000000000, 0.0001433500000000, -0.0004984800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002449700000000, -0.0006293400000000, 0.0008231600000000 ] - [ -0.0001050300000000, -0.0005038900000000, -0.0006232400000000 ] - [ -0.0001436900000000, 0.0005389500000000, -0.0022155400000000 ] - [ 0.0002912700000000, 0.0028622800000000, 0.0044465800000000 ] - [ 0.0009049800000000, -0.0015059100000000, -0.0020493000000000 ] - [ -0.0000371300000000, -0.0012055400000000, 0.0007080000000000 ] - [ 0.0040904800000000, -0.0049370400000000, -0.0045796800000000 ] - [ 0.0005458700000000, -0.0003331800000000, 0.0003280600000000 ] - [ 0.0012629500000000, 0.0006955200000000, 0.0027012300000000 ] - [ -0.0000673700000000, -0.0010143900000000, 0.0009717300000000 ] - [ 0.0564559800000000, 0.2151341700000000, 0.3627215200000000 ] - [ -0.0014822400000000, 0.0001801900000000, 0.0005104700000000 ] - [ -0.0000592900000000, -0.0016214600000000, 0.0009150600000000 ] - [ -0.0009221800000000, -0.0005466700000000, 0.0007190900000000 ] - [ -0.0159498300000000, 0.0088708400000000, 0.0064242100000000 ] - [ -0.0012567100000000, -0.0000267700000000, -0.0037282800000000 ] - [ -0.0134771500000000, -0.0332318500000000, -0.0375015700000000 ] - [ -0.0008714700000000, 0.0001270400000000, -0.0005269100000000 ] - [ -0.0017774100000000, 0.0044997200000000, -0.0056989200000000 ] - [ -0.0018545600000000, 0.0005183100000000, -0.0001521600000000 ] - [ -0.0003174100000000, -0.0025914400000000, -0.0029692700000000 ] - [ 0.0002310100000000, 0.0000817700000000, -0.0003054400000000 ] - [ 0.0016693400000000, -0.0034352400000000, -0.0077052800000000 ] - [ -0.0004078100000000, 0.0009821000000000, -0.0009795600000000 ] - [ -0.0006369800000000, 0.0002679800000000, 0.0000885000000000 ] - [ -0.0011994200000000, -0.0029158600000000, -0.0007664200000000 ] - [ 0.0004600600000000, -0.0013902400000000, 0.0005501700000000 ] - [ -0.0002171700000000, 0.0005924600000000, 0.0005821500000000 ] - [ -0.0002811100000000, 0.0004056500000000, -0.0004573500000000 ] - [ 0.0004404300000000, -0.0008562100000000, -0.0009541300000000 ] - [ -0.0007921700000000, -0.0007363800000000, 0.0009935300000000 ] - [ -0.0000826200000000, -0.0004036000000000, 0.0004358600000000 ] - [ -0.0004468500000000, 0.0005049200000000, -0.0003870200000000 ] - [ -0.0008603200000000, -0.0000261500000000, -0.0003364100000000 ] - [ -0.0021581900000000, -0.0014011200000000, -0.0013497300000000 ] - [ -0.0006337800000000, 0.0000421000000000, -0.0002316900000000 ] - [ -0.0093727900000000, -0.0178968600000000, -0.0190349000000000 ] - [ -0.0000713200000000, -0.0003682200000000, 0.0005147600000000 ] - [ 0.0000864900000000, 0.0011215100000000, 0.0017367700000000 ] - [ -0.0000539100000000, -0.0002192700000000, 0.0004101500000000 ] - [ -0.0002064800000000, -0.0000755800000000, -0.0000132000000000 ] - [ 0.0010085100000000, -0.0002077400000000, -0.0004115400000000 ] - [ -0.0010438400000000, 0.0000848400000000, -0.0008511300000000 ] - [ -0.0005201700000000, 0.0009147800000000, 0.0003440000000000 ] - [ 0.0004871500000000, 0.0002035500000000, 0.0011833800000000 ] - [ 0.0039907900000000, 0.0011689200000000, 0.0045911600000000 ] - [ 0.0006658400000000, 0.0010494300000000, -0.0012387500000000 ] - [ 0.0003075600000000, 0.0000003800000000, -0.0008534900000000 ] - [ 0.0015525700000000, 0.0012347200000000, -0.0007261200000000 ] - [ 0.0014800000000000, 0.0002875800000000, -0.0000894200000000 ] - [ 0.0051590100000000, -0.0013544300000000, -0.0017422800000000 ] - [ -0.0001364000000000, 0.0001790600000000, -0.0002194700000000 ] - [ 0.0005896800000000, -0.0043055800000000, -0.0022780500000000 ] - [ -0.0001543700000000, 0.0002675100000000, -0.0000060300000000 ] - [ 0.0002562900000000, 0.0019373600000000, -0.0011648400000000 ] - [ 0.0000894900000000, 0.0000237700000000, 0.0000008300000000 ] - [ -0.0024167600000000, 0.0015786800000000, 0.0013970200000000 ] - [ -0.0005572500000000, 0.0003799200000000, 0.0001541100000000 ] - [ -0.0004717800000000, 0.0000385400000000, -0.0006901500000000 ] - [ 0.0001225600000000, 0.0012659800000000, -0.0005737900000000 ] - [ 0.0013726200000000, -0.0153817400000000, -0.0585824400000000 ] - [ 0.0026318100000000, 0.0001020700000000, -0.0016477200000000 ] - [ 0.0001499200000000, 0.0008289300000000, -0.0005539900000000 ] - [ 0.0003473600000000, 0.0007042200000000, -0.0009465900000000 ] - [ 0.0001447300000000, 0.0032579400000000, 0.0036288800000000 ] - [ -0.0003260000000000, 0.0003424000000000, -0.0000487700000000 ] - [ -0.0002617600000000, 0.0001034400000000, -0.0014460000000000 ] - [ 0.0004852200000000, 0.0010008400000000, -0.0009851600000000 ] - [ -0.0016519400000000, 0.0105559400000000, 0.0065901700000000 ] - [ -0.0000050300000000, 0.0000607600000000, -0.0001539800000000 ] - [ -0.0007859700000000, -0.0016570100000000, -0.0003914600000000 ] - [ 0.0007505500000000, 0.0001933900000000, -0.0000617400000000 ] - [ -0.0906129100000000, -0.0890914000000000, -0.1423706500000000 ] - [ 0.0009952500000000, 0.0003859400000000, -0.0004136200000000 ] - [ 0.0001503700000000, 0.0001484600000000, -0.0010898200000000 ] - [ -0.0002749100000000, 0.0003716800000000, -0.0001045700000000 ] - [ 0.0001314600000000, 0.0001219500000000, -0.0002313400000000 ] - [ 0.0012428900000000, 0.0016654100000000, 0.0004680800000000 ] - [ 0.0026486800000000, 0.0016946900000000, 0.0002832300000000 ] - [ 0.0001458800000000, -0.0008605900000000, -0.0007311500000000 ] - [ 0.0156027800000000, 0.0009147700000000, 0.0014004600000000 ] - [ -0.0013956700000000, -0.0017815700000000, -0.0031901400000000 ] - [ 0.0017029300000000, -0.0009482400000000, 0.0018862800000000 ] - [ 0.0014532800000000, -0.0005802000000000, 0.0010403400000000 ] - [ -0.0002104700000000, 0.0012633600000000, 0.0014854700000000 ] - [ -0.0002014300000000, -0.0001132400000000, 0.0007556100000000 ] - [ -0.0006288300000000, 0.0006042800000000, 0.0024411300000000 ] - [ 0.0003923200000000, -0.0009029600000000, 0.0017214000000000 ] - [ 0.0554234500000000, -0.0815958400000000, -0.1237790100000000 ] - [ 0.0001972700000000, 0.0000814200000000, -0.0002634000000000 ] - [ 0.0001237300000000, 0.0002226300000000, 0.0053413600000000 ] - [ 0.0008220500000000, -0.0006119400000000, 0.0006538900000000 ] - [ -0.0042671500000000, 0.0078246400000000, 0.0109810900000000 ] - [ 0.0000834000000000, -0.0004805200000000, 0.0004100200000000 ] - [ -0.0001596300000000, -0.0032122600000000, 0.0006051000000000 ] - [ -0.0002605600000000, -0.0003866600000000, -0.0001231400000000 ] - [ -0.0002348400000000, 0.0033742400000000, 0.0030683900000000 ] - [ 0.0003731600000000, -0.0000629900000000, 0.0006269200000000 ] - [ -0.0012361800000000, -0.0002904100000000, 0.0060243900000000 ] - [ 0.0001143700000000, -0.0003504800000000, 0.0010357300000000 ] - [ -0.0012516600000000, 0.0001593900000000, -0.0006949200000000 ] - [ -0.0013452000000000, -0.0018925000000000, -0.0032545700000000 ] - [ -0.0028698300000000, 0.0013252400000000, 0.0002268600000000 ] - [ -0.0008557800000000, -0.0014080300000000, -0.0004510600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003967000000000, 0.0001596300000000, 0.0004275300000000 ] - [ 0.0002281400000000, -0.0000185400000000, 0.0000808000000000 ] - [ -0.0008549600000000, -0.0003640900000000, 0.0002063300000000 ] - [ 0.0004835800000000, 0.0000345500000000, -0.0000484700000000 ] - [ 0.0002671100000000, 0.0007747700000000, -0.0010055100000000 ] - [ 0.0006236400000000, 0.0000875100000000, -0.0001767000000000 ] - [ -0.0000409300000000, 0.0002486100000000, 0.0001935100000000 ] - [ -0.0003330200000000, 0.0001199200000000, 0.0000258800000000 ] - [ 0.0014136500000000, 0.0009977600000000, 0.0010837000000000 ] - [ -0.0000346000000000, -0.0001846500000000, 0.0003656900000000 ] - [ 0.0002576000000000, -0.0008543000000000, 0.0005107500000000 ] - [ 0.0003516900000000, 0.0014188500000000, -0.0013281000000000 ] - [ 0.0006260400000000, 0.0002755300000000, 0.0003339000000000 ] - [ 0.0002624300000000, -0.0004258600000000, 0.0000901600000000 ] - [ -0.0072259300000000, 0.0011607800000000, -0.0040117500000000 ] - [ 0.0008197600000000, -0.0001493800000000, -0.0004248900000000 ] - [ -0.0012260200000000, -0.0003934400000000, 0.0003367800000000 ] - [ 0.0076512800000000, 0.0052761300000000, -0.0018138000000000 ] - [ 0.0006570200000000, -0.0000707600000000, 0.0000724700000000 ] - [ 0.0002760000000000, -0.0002484500000000, 0.0004312600000000 ] - [ 0.0000876400000000, 0.0001291300000000, 0.0000785500000000 ] - [ -0.0023875800000000, -0.0004964900000000, 0.0008781300000000 ] - [ 0.0015177700000000, -0.0012609800000000, -0.0011767500000000 ] - [ 0.0003637800000000, 0.0003357400000000, 0.0003940800000000 ] - [ -0.0706668000000000, -0.1021056300000000, 0.0046342500000000 ] - [ 0.0001740900000000, 0.0005654400000000, 0.0002303800000000 ] - [ 0.0001932800000000, -0.0001905000000000, 0.0001206400000000 ] - [ 0.0000510600000000, -0.0001247500000000, -0.0000018400000000 ] - [ -0.0063908500000000, -0.0151852900000000, -0.0008201800000000 ] - [ 0.0000873400000000, 0.0000294400000000, 0.0001297600000000 ] - [ 0.0001993000000000, 0.0002921000000000, 0.0000160700000000 ] - [ -0.0000392500000000, -0.0002160000000000, 0.0001452700000000 ] - [ -0.0000659800000000, 0.0092233100000000, -0.0013982500000000 ] - [ 0.0000018200000000, 0.0002382500000000, -0.0002361500000000 ] - [ 0.0007059500000000, -0.0001111000000000, -0.0002564800000000 ] - [ -0.0002397400000000, 0.0001371300000000, -0.0002801100000000 ] - [ 0.0001354700000000, -0.0000615100000000, 0.0002715700000000 ] - [ -0.0001394400000000, 0.0003845500000000, -0.0000240800000000 ] - [ -0.0000750600000000, 0.0001243000000000, 0.0002410800000000 ] - [ 0.0001302600000000, -0.0001482500000000, 0.0000807600000000 ] - [ -0.0001368700000000, -0.0000463000000000, 0.0000860800000000 ] - [ 0.0000386900000000, 0.0000808800000000, -0.0000229800000000 ] - [ 0.0002658200000000, -0.0003610700000000, 0.0001386900000000 ] - [ -0.0001002000000000, 0.0002562400000000, 0.0000967700000000 ] - [ -0.0004795200000000, 0.0005452500000000, -0.0004478100000000 ] - [ -0.0001028100000000, -0.0002900000000000, 0.0001468000000000 ] - [ 0.0002287800000000, 0.0003465700000000, 0.0000602700000000 ] - [ 0.0001769700000000, -0.0000634000000000, 0.0004268900000000 ] - [ -0.0006016100000000, -0.0001196000000000, -0.0002557200000000 ] - [ -0.0001035500000000, 0.0000269100000000, -0.0003722900000000 ] - [ 0.0005300200000000, -0.0001260900000000, -0.0002617200000000 ] - [ 0.0021693900000000, -0.0003632800000000, -0.0004500700000000 ] - [ 0.0000870500000000, 0.0001910900000000, 0.0002938400000000 ] - [ 0.0007262400000000, -0.0018864800000000, 0.0015215300000000 ] - [ 0.0012581200000000, 0.0000258300000000, -0.0002247300000000 ] - [ 0.0001334400000000, 0.0002907900000000, 0.0001193200000000 ] - [ 0.0000729400000000, -0.0001485100000000, 0.0001513600000000 ] - [ 0.0002306600000000, -0.0003531500000000, 0.0002746300000000 ] - [ -0.0010324000000000, -0.0001366600000000, -0.0002302100000000 ] - [ -0.0001156200000000, 0.0000286800000000, 0.0000077400000000 ] - [ 0.0013749400000000, 0.0014868600000000, 0.0001874200000000 ] - [ 0.0007248100000000, -0.0015098200000000, 0.0018070200000000 ] - [ -0.0003224900000000, 0.0000879400000000, -0.0000170100000000 ] - [ -0.0004944200000000, 0.0000046500000000, -0.0000579100000000 ] - [ 0.0002381200000000, -0.0003927900000000, -0.0002028200000000 ] - [ 0.0002401200000000, 0.0001413200000000, -0.0002309600000000 ] - [ -0.0006303800000000, -0.0008104900000000, -0.0005568800000000 ] - [ 0.0003883300000000, 0.0004689400000000, -0.0003333900000000 ] - [ -0.0002342000000000, 0.0002441400000000, 0.0000368400000000 ] - [ 0.0001132300000000, -0.0005673500000000, 0.0002693800000000 ] - [ 0.0016596000000000, -0.0026504600000000, -0.0002822000000000 ] - [ 0.0001578000000000, -0.0004368100000000, 0.0000327500000000 ] - [ -0.0003979900000000, 0.0001606200000000, 0.0002257600000000 ] - [ 0.0000258900000000, -0.0005938000000000, 0.0009478100000000 ] - [ 0.0003049000000000, -0.0002740100000000, 0.0001933700000000 ] - [ -0.0005272800000000, 0.0005412000000000, 0.0004853800000000 ] - [ 0.0651040800000000, 0.1157917400000000, -0.0070113400000000 ] - [ 0.0003459600000000, -0.0011271200000000, -0.0005915600000000 ] - [ -0.0000959000000000, 0.0006884100000000, -0.0004587000000000 ] - [ -0.0003040200000000, -0.0006855200000000, -0.0004766000000000 ] - [ 0.0020829800000000, -0.0009864400000000, -0.0001912900000000 ] - [ 0.0067066300000000, -0.0078745900000000, 0.0036686900000000 ] - [ -0.0005243000000000, -0.0001105200000000, 0.0000164200000000 ] - [ -0.0003544300000000, 0.0001125600000000, 0.0000616900000000 ] - [ -0.0002516600000000, -0.0001035100000000, 0.0000915500000000 ] - [ 0.0024682700000000, -0.0010333600000000, 0.0027537600000000 ] - [ -0.0010903500000000, 0.0003764000000000, 0.0002585100000000 ] - [ -0.0006539100000000, -0.0001236000000000, -0.0001179400000000 ] - [ 0.0005173900000000, 0.0001605900000000, -0.0001152900000000 ] - [ -0.0012508300000000, -0.0012189500000000, 0.0014543400000000 ] - [ -0.0005268500000000, 0.0002857000000000, 0.0002651700000000 ] - [ 0.0001744900000000, 0.0002096600000000, -0.0004778400000000 ] - [ 0.0002190800000000, 0.0001493400000000, -0.0001160900000000 ] - [ -0.0036352200000000, 0.0001393700000000, -0.0007979500000000 ] - [ 0.0000401700000000, 0.0002430900000000, 0.0000833100000000 ] - [ 0.0001354000000000, -0.0001012500000000, 0.0002116300000000 ] - [ -0.0004982800000000, -0.0002919700000000, 0.0002008700000000 ] - [ 0.0007665800000000, 0.0014523200000000, -0.0008157600000000 ] - [ -0.0010977900000000, 0.0012005700000000, 0.0016191200000000 ] - [ -0.0005590700000000, -0.0003140400000000, -0.0000128200000000 ] - [ 0.0001375700000000, 0.0003620100000000, -0.0001386200000000 ] - [ 0.0005820500000000, -0.0004811500000000, -0.0003346200000000 ] - [ -0.0000100100000000, 0.0005306100000000, -0.0004822300000000 ] - [ -0.0017433700000000, -0.0004516900000000, -0.0004855800000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003964200000000, -0.0001724500000000, -0.0002988500000000 ] - [ -0.0002267200000000, 0.0000205400000000, 0.0000607600000000 ] - [ 0.0008509800000000, 0.0003722900000000, -0.0000580100000000 ] - [ -0.0004822400000000, -0.0000361700000000, 0.0001933700000000 ] - [ -0.0002672900000000, -0.0007776900000000, 0.0003841900000000 ] - [ -0.0006154500000000, -0.0000785400000000, -0.0004495300000000 ] - [ -0.0003691700000000, 0.0000728200000000, 0.0004418100000000 ] - [ 0.0007376000000000, -0.0004397800000000, 0.0006084300000000 ] - [ -0.0010078000000000, -0.0006357700000000, -0.0004112400000000 ] - [ -0.0003563900000000, -0.0001325800000000, 0.0002678900000000 ] - [ -0.0005879100000000, 0.0006458000000000, -0.0004358600000000 ] - [ -0.0000227600000000, -0.0012162300000000, 0.0013964400000000 ] - [ -0.0003009100000000, -0.0004737800000000, -0.0002607200000000 ] - [ -0.0005796500000000, 0.0006289200000000, -0.0000188800000000 ] - [ 0.0072314000000000, -0.0011423200000000, 0.0033881900000000 ] - [ -0.0008139100000000, 0.0001459700000000, -0.0002121300000000 ] - [ 0.0008241400000000, 0.0007072200000000, 0.0002953000000000 ] - [ -0.0072471500000000, -0.0056994100000000, 0.0024872900000000 ] - [ -0.0002575700000000, 0.0003857500000000, 0.0005581600000000 ] - [ -0.0006694100000000, -0.0000690300000000, 0.0002012100000000 ] - [ -0.0004328200000000, -0.0003305400000000, -0.0000091600000000 ] - [ 0.0027361000000000, 0.0007015900000000, -0.0008159500000000 ] - [ -0.0011832100000000, 0.0010463000000000, 0.0012328600000000 ] - [ -0.0006860900000000, -0.0001353000000000, -0.0003264800000000 ] - [ 0.0724554000000000, 0.1011337600000000, -0.0044939200000000 ] - [ 0.0001487400000000, -0.0000613800000000, 0.0000002300000000 ] - [ 0.0001321700000000, -0.0003167900000000, 0.0001115900000000 ] - [ -0.0003735500000000, 0.0006334600000000, 0.0002346700000000 ] - [ 0.0063278000000000, 0.0155564700000000, 0.0008615300000000 ] - [ 0.0001481000000000, -0.0005799500000000, 0.0000400500000000 ] - [ 0.0000367000000000, 0.0002533900000000, 0.0001521100000000 ] - [ -0.0001955600000000, -0.0003285000000000, 0.0000235700000000 ] - [ -0.0004781700000000, -0.0092662300000000, 0.0008490800000000 ] - [ 0.0006774800000000, -0.0000357900000000, -0.0002734200000000 ] - [ -0.0000338300000000, -0.0000914800000000, -0.0002532900000000 ] - [ -0.0004311000000000, 0.0000658600000000, -0.0002297700000000 ] - [ 0.0000406700000000, 0.0001224000000000, 0.0001499300000000 ] - [ -0.0000371300000000, -0.0004446800000000, 0.0004442200000000 ] - [ -0.0001021700000000, -0.0000654400000000, 0.0001786500000000 ] - [ 0.0000479700000000, 0.0000897800000000, 0.0003388100000000 ] - [ -0.0001885100000000, -0.0004624900000000, 0.0001464600000000 ] - [ 0.0002853800000000, 0.0004266800000000, 0.0002554000000000 ] - [ 0.0000601800000000, -0.0001470600000000, 0.0000934300000000 ] - [ -0.0002247500000000, 0.0002509600000000, 0.0001354300000000 ] - [ 0.0002443900000000, -0.0000006000000000, 0.0006165300000000 ] - [ 0.0003347900000000, -0.0002512100000000, 0.0000217200000000 ] - [ 0.0000071700000000, 0.0001983800000000, 0.0001070400000000 ] - [ -0.0004120100000000, -0.0004841700000000, -0.0002624100000000 ] - [ -0.0000754800000000, -0.0000838000000000, -0.0002538600000000 ] - [ 0.0007810000000000, 0.0001767100000000, -0.0001374800000000 ] - [ 0.0001437100000000, -0.0000772400000000, -0.0002480400000000 ] - [ -0.0028603400000000, 0.0005739600000000, -0.0000571800000000 ] - [ 0.0000891500000000, -0.0001336200000000, 0.0001252000000000 ] - [ -0.0009074200000000, 0.0018438800000000, -0.0011152100000000 ] - [ -0.0014238500000000, 0.0000217500000000, 0.0006299800000000 ] - [ 0.0000442500000000, -0.0003501900000000, 0.0003004500000000 ] - [ 0.0001711400000000, -0.0000714800000000, -0.0001909400000000 ] - [ -0.0004711400000000, 0.0005747000000000, -0.0003139900000000 ] - [ 0.0007797200000000, -0.0000956200000000, 0.0001807600000000 ] - [ 0.0003464700000000, 0.0001876200000000, -0.0000457700000000 ] - [ -0.0015686000000000, -0.0011820700000000, -0.0001468600000000 ] - [ -0.0005192900000000, 0.0012094900000000, -0.0017632000000000 ] - [ 0.0005281200000000, 0.0002099700000000, 0.0000581900000000 ] - [ 0.0002818600000000, -0.0003065400000000, 0.0000987000000000 ] - [ 0.0004426900000000, -0.0001533900000000, -0.0002748100000000 ] - [ -0.0009219700000000, 0.0004022900000000, -0.0002465700000000 ] - [ -0.0000344400000000, 0.0002526100000000, 0.0000676500000000 ] - [ 0.0002817200000000, 0.0000744900000000, -0.0001450600000000 ] - [ 0.0003040300000000, 0.0001746400000000, 0.0000252300000000 ] - [ -0.0001815500000000, 0.0001468300000000, -0.0002059100000000 ] - [ -0.0017756000000000, 0.0030227600000000, 0.0003417700000000 ] - [ -0.0000982600000000, 0.0000137700000000, 0.0000331100000000 ] - [ -0.0003278600000000, -0.0003124600000000, 0.0003552600000000 ] - [ 0.0007004100000000, 0.0007479600000000, -0.0003655500000000 ] - [ 0.0004266200000000, 0.0001185700000000, 0.0003873600000000 ] - [ -0.0002070400000000, -0.0003867800000000, 0.0000967800000000 ] - [ -0.0676718900000000, -0.1139666000000000, 0.0063129700000000 ] - [ 0.0000100500000000, -0.0001274900000000, -0.0003515700000000 ] - [ 0.0004536300000000, 0.0005733600000000, -0.0004848400000000 ] - [ -0.0000547300000000, -0.0005767700000000, -0.0004671300000000 ] - [ -0.0018481700000000, 0.0007729800000000, 0.0001538800000000 ] - [ -0.0071084200000000, 0.0080798300000000, -0.0037430200000000 ] - [ 0.0002864900000000, -0.0001076800000000, -0.0000530600000000 ] - [ 0.0005870500000000, 0.0001075400000000, -0.0000986600000000 ] - [ 0.0000556700000000, 0.0004085800000000, -0.0000541500000000 ] - [ -0.0022808700000000, 0.0007374000000000, -0.0027068400000000 ] - [ 0.0012889600000000, -0.0000705200000000, -0.0002086500000000 ] - [ 0.0004446200000000, -0.0001759900000000, 0.0001626700000000 ] - [ 0.0001615300000000, -0.0007006800000000, -0.0003636500000000 ] - [ 0.0005585400000000, 0.0017695500000000, -0.0019319000000000 ] - [ -0.0001481100000000, -0.0008221800000000, -0.0007367300000000 ] - [ 0.0004990900000000, 0.0003342600000000, 0.0000007100000000 ] - [ -0.0001535200000000, 0.0002741200000000, 0.0001810400000000 ] - [ 0.0035850200000000, -0.0005493600000000, 0.0008582000000000 ] - [ -0.0001025400000000, 0.0001799400000000, -0.0000186100000000 ] - [ -0.0000744100000000, -0.0003212600000000, -0.0001468100000000 ] - [ -0.0002237300000000, 0.0001382600000000, 0.0003847000000000 ] - [ -0.0000447700000000, -0.0013094600000000, 0.0014087000000000 ] - [ 0.0018193200000000, -0.0013373500000000, -0.0010165200000000 ] - [ -0.0001707900000000, 0.0004683900000000, 0.0005956100000000 ] - [ -0.0004925900000000, 0.0009004100000000, -0.0008054000000000 ] - [ -0.0002235300000000, -0.0007828100000000, -0.0006099400000000 ] - [ 0.0003670600000000, 0.0007309700000000, -0.0004606800000000 ] - [ 0.0013926500000000, -0.0008092600000000, -0.0004570500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000128500000000, 0.0019812300000000, 0.0018110000000000 ] - [ 0.0000816900000000, 0.0001561100000000, -0.0000710500000000 ] - [ -0.0005263400000000, 0.0003122800000000, 0.0017900700000000 ] - [ 0.0004997400000000, -0.0000434800000000, -0.0000671700000000 ] - [ 0.0011619900000000, 0.0016691900000000, -0.0023685700000000 ] - [ 0.0006255600000000, 0.0006148900000000, 0.0000178900000000 ] - [ 0.0006320100000000, -0.0003059700000000, -0.0003374400000000 ] - [ -0.0005044200000000, 0.0010767100000000, -0.0006118600000000 ] - [ 0.0027209500000000, 0.0023486900000000, 0.0023351700000000 ] - [ -0.0003789900000000, 0.0009941700000000, -0.0003736400000000 ] - [ -0.0032361600000000, -0.0006861600000000, -0.0004885400000000 ] - [ 0.0021047900000000, 0.0027956400000000, -0.0030964100000000 ] - [ 0.0008279900000000, 0.0011958400000000, 0.0011566800000000 ] - [ -0.0008910900000000, -0.0000357500000000, 0.0003707600000000 ] - [ -0.0107742400000000, 0.0089251800000000, -0.0093172600000000 ] - [ 0.0004992900000000, -0.0001831100000000, -0.0002347500000000 ] - [ -0.0033227300000000, 0.0010036400000000, 0.0009666700000000 ] - [ 0.0202918400000000, -0.0050089000000000, 0.0025187700000000 ] - [ 0.0002882800000000, 0.0003980200000000, 0.0003126800000000 ] - [ 0.0001681600000000, -0.0008396600000000, 0.0005390500000000 ] - [ 0.0009864300000000, 0.0007278500000000, -0.0001416800000000 ] - [ -0.0033560200000000, 0.0007334400000000, -0.0004296700000000 ] - [ 0.0004263800000000, -0.0005159700000000, -0.0002928700000000 ] - [ 0.0007091900000000, 0.0000390900000000, 0.0006904800000000 ] - [ -0.1071877800000000, -0.3433398500000000, 0.0612548300000000 ] - [ 0.0004726200000000, 0.0017362200000000, 0.0005416600000000 ] - [ 0.0000996800000000, 0.0002766200000000, 0.0000279700000000 ] - [ 0.0002117300000000, -0.0005225000000000, -0.0000271600000000 ] - [ 0.0017288800000000, 0.0118644100000000, -0.0020519200000000 ] - [ -0.0000963400000000, 0.0004888100000000, 0.0003844000000000 ] - [ 0.0000436200000000, 0.0001195100000000, 0.0002372200000000 ] - [ 0.0000425900000000, -0.0000397900000000, 0.0003372600000000 ] - [ 0.0131595600000000, -0.0013664700000000, 0.0001423600000000 ] - [ 0.0002049800000000, 0.0005152000000000, -0.0002147900000000 ] - [ 0.0006563100000000, -0.0002184600000000, -0.0002725500000000 ] - [ -0.0003606400000000, 0.0002754400000000, -0.0002992900000000 ] - [ 0.0001525400000000, -0.0009746400000000, -0.0002212500000000 ] - [ -0.0001667000000000, 0.0012271900000000, -0.0004715200000000 ] - [ -0.0000554900000000, 0.0007510100000000, 0.0004816900000000 ] - [ 0.0000155300000000, -0.0010019200000000, 0.0005095300000000 ] - [ 0.0000436600000000, 0.0006339400000000, -0.0000431300000000 ] - [ -0.0000083600000000, -0.0005422700000000, -0.0001262500000000 ] - [ 0.0002683100000000, -0.0006839900000000, 0.0001577400000000 ] - [ -0.0001656200000000, 0.0005714700000000, 0.0001395800000000 ] - [ -0.0008196400000000, 0.0010583400000000, -0.0012512600000000 ] - [ 0.0004233100000000, -0.0010780600000000, -0.0009262800000000 ] - [ 0.0002689400000000, 0.0004091400000000, 0.0000453100000000 ] - [ -0.0000281900000000, -0.0003686200000000, 0.0001213600000000 ] - [ -0.0007596400000000, 0.0000485700000000, -0.0002962600000000 ] - [ 0.0001927700000000, -0.0002014100000000, -0.0004068700000000 ] - [ 0.0000156400000000, -0.0000030200000000, -0.0002724300000000 ] - [ 0.0015493200000000, 0.0001439600000000, -0.0004883200000000 ] - [ 0.0000155800000000, 0.0010829100000000, 0.0007066700000000 ] - [ -0.0010223800000000, -0.0025585200000000, 0.0009579800000000 ] - [ 0.0000201900000000, -0.0022430300000000, -0.0006439200000000 ] - [ 0.0002083600000000, 0.0010047200000000, -0.0001009000000000 ] - [ -0.0004230300000000, 0.0002170000000000, 0.0005389000000000 ] - [ 0.0002547700000000, -0.0012225700000000, 0.0007654000000000 ] - [ -0.0020187200000000, -0.0006044800000000, -0.0005756900000000 ] - [ 0.0000585000000000, -0.0005166600000000, 0.0001823400000000 ] - [ 0.0035998000000000, 0.0006348300000000, 0.0028469600000000 ] - [ -0.0002530000000000, -0.0036967100000000, 0.0042196900000000 ] - [ -0.0004801500000000, -0.0003470600000000, -0.0003349200000000 ] - [ 0.0000049100000000, 0.0000000800000000, -0.0001319800000000 ] - [ 0.0000633700000000, -0.0003516900000000, 0.0000939800000000 ] - [ 0.0005356700000000, -0.0007734300000000, 0.0005804600000000 ] - [ -0.0011821200000000, -0.0015730700000000, -0.0014135500000000 ] - [ 0.0010448900000000, -0.0004315500000000, -0.0002319300000000 ] - [ -0.0005012000000000, 0.0010487200000000, 0.0003636500000000 ] - [ 0.0003916200000000, -0.0014753200000000, 0.0006730800000000 ] - [ -0.0093552700000000, 0.0005502900000000, -0.0004996800000000 ] - [ -0.0000994600000000, -0.0013558500000000, 0.0003453000000000 ] - [ 0.0006674800000000, 0.0011173800000000, 0.0010884200000000 ] - [ -0.0007183500000000, -0.0015955100000000, 0.0019174600000000 ] - [ 0.0003332400000000, -0.0010414100000000, -0.0002605500000000 ] - [ 0.0001279200000000, 0.0006173900000000, -0.0002236500000000 ] - [ 0.1030308300000000, 0.3430334100000000, -0.0673952100000000 ] - [ 0.0002306900000000, -0.0022536600000000, -0.0008419000000000 ] - [ 0.0000330000000000, 0.0010205200000000, -0.0005360800000000 ] - [ -0.0002731200000000, -0.0010428300000000, -0.0005694400000000 ] - [ 0.0035893600000000, -0.0031854600000000, -0.0003900800000000 ] - [ -0.0091318900000000, -0.0118898100000000, 0.0053194100000000 ] - [ -0.0002404000000000, -0.0003102900000000, -0.0000238400000000 ] - [ -0.0002328400000000, 0.0004385800000000, -0.0000163300000000 ] - [ -0.0007181400000000, -0.0008017900000000, 0.0003691600000000 ] - [ 0.0022826900000000, -0.0026148300000000, 0.0036921800000000 ] - [ -0.0001444800000000, 0.0003491700000000, 0.0000848800000000 ] - [ -0.0007366200000000, -0.0001295300000000, -0.0001689600000000 ] - [ 0.0014268700000000, -0.0002803700000000, -0.0002882500000000 ] - [ -0.0055352100000000, -0.0015997000000000, 0.0029831100000000 ] - [ -0.0002051000000000, -0.0001373800000000, -0.0001309300000000 ] - [ 0.0000073400000000, 0.0005835200000000, -0.0006716800000000 ] - [ 0.0012063400000000, -0.0009677700000000, -0.0007784700000000 ] - [ -0.0047914200000000, 0.0043688000000000, -0.0028899700000000 ] - [ 0.0001441500000000, -0.0003414100000000, -0.0000005100000000 ] - [ 0.0001120200000000, 0.0007117000000000, 0.0001027000000000 ] - [ -0.0007153700000000, -0.0010847300000000, -0.0000624200000000 ] - [ 0.0015252100000000, 0.0014951500000000, -0.0002202000000000 ] - [ 0.0006480700000000, 0.0016314200000000, 0.0005462500000000 ] - [ -0.0010001900000000, -0.0008115900000000, -0.0003134100000000 ] - [ 0.0003177800000000, -0.0004267500000000, 0.0003502800000000 ] - [ 0.0001376300000000, 0.0004644800000000, 0.0001829400000000 ] - [ 0.0002401200000000, 0.0001486700000000, -0.0004607500000000 ] - [ -0.0014029700000000, 0.0000142500000000, -0.0004259400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000268700000000, -0.0020062900000000, -0.0017020700000000 ] - [ -0.0000866300000000, -0.0001592400000000, 0.0002173400000000 ] - [ 0.0005434000000000, -0.0003058600000000, -0.0016780300000000 ] - [ -0.0005153700000000, 0.0000444700000000, 0.0002140400000000 ] - [ -0.0011765300000000, -0.0017030000000000, 0.0017804900000000 ] - [ -0.0006483900000000, -0.0006284300000000, -0.0006601400000000 ] - [ -0.0010456000000000, 0.0006323700000000, 0.0009854700000000 ] - [ 0.0009219900000000, -0.0014193800000000, 0.0012649200000000 ] - [ -0.0023902900000000, -0.0020808700000000, -0.0017489500000000 ] - [ -0.0000217400000000, -0.0013295300000000, 0.0010151700000000 ] - [ 0.0029640700000000, 0.0005024400000000, 0.0005606200000000 ] - [ -0.0018213900000000, -0.0026625400000000, 0.0032449700000000 ] - [ -0.0005197700000000, -0.0014302400000000, -0.0011161800000000 ] - [ 0.0005661400000000, 0.0002444300000000, -0.0003065300000000 ] - [ 0.0110824500000000, -0.0091310600000000, 0.0089122500000000 ] - [ -0.0005174700000000, 0.0001885800000000, -0.0003972600000000 ] - [ 0.0029983200000000, -0.0006959200000000, -0.0003459800000000 ] - [ -0.0203641300000000, 0.0048576600000000, -0.0019596000000000 ] - [ 0.0001033000000000, -0.0000802200000000, 0.0003250600000000 ] - [ -0.0005778300000000, 0.0005328800000000, 0.0000932500000000 ] - [ -0.0013407800000000, -0.0009476300000000, 0.0002160000000000 ] - [ 0.0037674900000000, -0.0005373200000000, 0.0004958000000000 ] - [ -0.0001192300000000, 0.0003345100000000, 0.0003816800000000 ] - [ -0.0010583500000000, 0.0001656700000000, -0.0006389100000000 ] - [ 0.0963871400000000, 0.3187784700000000, -0.0554010400000000 ] - [ -0.0001540100000000, -0.0012602000000000, -0.0003194300000000 ] - [ 0.0002258400000000, -0.0007939500000000, 0.0002056100000000 ] - [ -0.0005467500000000, 0.0010466100000000, 0.0002627900000000 ] - [ -0.0017134600000000, -0.0111624400000000, 0.0023184600000000 ] - [ 0.0003370100000000, -0.0010541100000000, -0.0002214800000000 ] - [ 0.0001915600000000, 0.0004275900000000, -0.0000711400000000 ] - [ -0.0002820400000000, -0.0005103400000000, -0.0001752100000000 ] - [ -0.0140613400000000, 0.0011307400000000, -0.0006267100000000 ] - [ 0.0004774200000000, -0.0003205800000000, -0.0002962400000000 ] - [ 0.0000075400000000, 0.0000175900000000, -0.0002369000000000 ] - [ -0.0003149400000000, -0.0000758500000000, -0.0002092900000000 ] - [ 0.0000229400000000, 0.0010529400000000, 0.0006482000000000 ] - [ -0.0000083400000000, -0.0013148700000000, 0.0009071600000000 ] - [ -0.0001226100000000, -0.0007052600000000, -0.0000669400000000 ] - [ 0.0001626200000000, 0.0009580100000000, -0.0000931100000000 ] - [ -0.0003726900000000, -0.0011594100000000, 0.0002787400000000 ] - [ 0.0003378700000000, 0.0010646400000000, 0.0003651600000000 ] - [ 0.0000540900000000, 0.0001841300000000, 0.0000739600000000 ] - [ -0.0001606100000000, -0.0000688100000000, 0.0000929500000000 ] - [ 0.0006024400000000, -0.0005318300000000, 0.0014519500000000 ] - [ -0.0001921900000000, 0.0005491100000000, 0.0011119300000000 ] - [ -0.0000372600000000, 0.0001333300000000, 0.0001222900000000 ] - [ -0.0002120300000000, -0.0001764600000000, 0.0000426900000000 ] - [ 0.0000972400000000, -0.0002540400000000, -0.0002126000000000 ] - [ 0.0004891800000000, 0.0004105000000000, -0.0000983100000000 ] - [ 0.0006619500000000, -0.0002014300000000, -0.0002370500000000 ] - [ -0.0022714200000000, 0.0000571400000000, -0.0000157400000000 ] - [ 0.0001625500000000, -0.0010450700000000, -0.0002970700000000 ] - [ 0.0008562500000000, 0.0025455600000000, -0.0005613200000000 ] - [ -0.0002135700000000, 0.0023446900000000, 0.0010847400000000 ] - [ -0.0000337800000000, -0.0010848400000000, 0.0005258000000000 ] - [ 0.0006692900000000, -0.0004414700000000, -0.0005883400000000 ] - [ -0.0005044100000000, 0.0014685100000000, -0.0008195100000000 ] - [ 0.0018290600000000, 0.0003967300000000, 0.0005518100000000 ] - [ 0.0001858900000000, 0.0007481300000000, -0.0002232400000000 ] - [ -0.0038962400000000, -0.0003584500000000, -0.0028636400000000 ] - [ 0.0004567900000000, 0.0034836900000000, -0.0042820600000000 ] - [ 0.0007029300000000, 0.0006588800000000, 0.0003869000000000 ] - [ -0.0002034500000000, -0.0003052300000000, 0.0001803600000000 ] - [ 0.0006182600000000, -0.0001906000000000, -0.0005798100000000 ] - [ -0.0012324000000000, 0.0013367700000000, -0.0010729400000000 ] - [ 0.0005293100000000, 0.0010615600000000, 0.0009665400000000 ] - [ -0.0003778800000000, 0.0009821200000000, -0.0002453600000000 ] - [ 0.0005773300000000, -0.0006422200000000, -0.0003059200000000 ] - [ -0.0004643100000000, 0.0010800700000000, -0.0006238700000000 ] - [ 0.0094171600000000, -0.0001148500000000, 0.0005738400000000 ] - [ 0.0001626900000000, 0.0009546100000000, -0.0002848200000000 ] - [ -0.0014146200000000, -0.0012949400000000, -0.0005204900000000 ] - [ 0.0014705800000000, 0.0017883100000000, -0.0013754100000000 ] - [ 0.0003949700000000, 0.0009071300000000, 0.0008545100000000 ] - [ -0.0008603400000000, -0.0004763600000000, 0.0008100500000000 ] - [ -0.0932940000000000, -0.3183095400000000, 0.0609686400000000 ] - [ 0.0001216700000000, 0.0010289100000000, -0.0000909500000000 ] - [ 0.0003299800000000, 0.0002349600000000, -0.0004056300000000 ] - [ -0.0000794000000000, -0.0002124000000000, -0.0003707200000000 ] - [ -0.0034392900000000, 0.0030348300000000, 0.0003619200000000 ] - [ 0.0092401200000000, 0.0125599300000000, -0.0055544400000000 ] - [ 0.0000099500000000, 0.0000930600000000, -0.0000148200000000 ] - [ 0.0004811600000000, -0.0002238700000000, -0.0000236400000000 ] - [ 0.0005258700000000, 0.0011233400000000, -0.0003367300000000 ] - [ -0.0021398900000000, 0.0023518700000000, -0.0037247000000000 ] - [ 0.0003673700000000, -0.0000539900000000, -0.0000454400000000 ] - [ 0.0005489700000000, -0.0001742300000000, 0.0002184400000000 ] - [ -0.0007737800000000, -0.0002678500000000, -0.0001897900000000 ] - [ 0.0049935800000000, 0.0021897200000000, -0.0035420700000000 ] - [ -0.0004711300000000, -0.0004161200000000, -0.0003557000000000 ] - [ 0.0006755700000000, -0.0000457700000000, 0.0002021400000000 ] - [ -0.0011671800000000, 0.0014113000000000, 0.0008596100000000 ] - [ 0.0048446100000000, -0.0048821700000000, 0.0030252200000000 ] - [ -0.0002124000000000, 0.0007709000000000, 0.0000630700000000 ] - [ -0.0000510400000000, -0.0011484900000000, -0.0000444000000000 ] - [ -0.0000030900000000, 0.0009513000000000, 0.0006510100000000 ] - [ -0.0008194700000000, -0.0013730100000000, 0.0008223800000000 ] - [ 0.0000917300000000, -0.0018313300000000, 0.0000167600000000 ] - [ 0.0002875900000000, 0.0009827700000000, 0.0009128100000000 ] - [ -0.0006874600000000, 0.0017105800000000, -0.0013123700000000 ] - [ 0.0002159000000000, -0.0017475000000000, -0.0011401300000000 ] - [ 0.0001177600000000, 0.0011217900000000, -0.0004801800000000 ] - [ 0.0010785600000000, -0.0012883700000000, -0.0005152000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004631800000000, 0.0008467200000000, -0.0004814000000000 ] - [ -0.0000478600000000, -0.0000575200000000, 0.0001406900000000 ] - [ 0.0002145000000000, 0.0013324400000000, 0.0006280200000000 ] - [ -0.0001010300000000, -0.0000194100000000, 0.0000853400000000 ] - [ -0.0002443200000000, -0.0002175400000000, 0.0001890100000000 ] - [ -0.0004724300000000, -0.0001013500000000, -0.0005799600000000 ] - [ -0.0003982100000000, 0.0003375600000000, 0.0007257700000000 ] - [ 0.0004072500000000, -0.0003599300000000, 0.0006197000000000 ] - [ -0.0008218800000000, -0.0004136900000000, -0.0004701600000000 ] - [ -0.0003022700000000, -0.0002046600000000, 0.0001676900000000 ] - [ 0.0024227500000000, -0.0004787800000000, 0.0000644800000000 ] - [ -0.0002582300000000, -0.0007300000000000, 0.0009154500000000 ] - [ -0.0000945800000000, -0.0005638400000000, -0.0004014200000000 ] - [ -0.0007143400000000, 0.0007022300000000, -0.0004347500000000 ] - [ 0.0011887600000000, -0.0039719300000000, 0.0013146900000000 ] - [ -0.0003606000000000, 0.0001533800000000, -0.0000719600000000 ] - [ 0.0004087400000000, -0.0001964500000000, -0.0003848200000000 ] - [ -0.0062273600000000, 0.0006951500000000, -0.0016592600000000 ] - [ 0.0000313700000000, 0.0003194900000000, 0.0007004000000000 ] - [ -0.0003644400000000, -0.0003473200000000, 0.0007133300000000 ] - [ -0.0003426900000000, -0.0002419700000000, 0.0001681900000000 ] - [ 0.0008530900000000, -0.0003902500000000, 0.0005655500000000 ] - [ -0.0006028300000000, 0.0007561500000000, 0.0009997800000000 ] - [ -0.0003054500000000, 0.0002398500000000, -0.0001934600000000 ] - [ 0.0048268000000000, 0.0590500200000000, -0.0514906800000000 ] - [ 0.0000471900000000, -0.0001768000000000, -0.0000553600000000 ] - [ 0.0001579600000000, -0.0003425800000000, 0.0001238600000000 ] - [ -0.0002816100000000, 0.0003987600000000, 0.0001035700000000 ] - [ -0.0119321400000000, -0.0279646000000000, 0.0040527400000000 ] - [ 0.0001586500000000, -0.0005178500000000, 0.0001483500000000 ] - [ 0.0000747300000000, 0.0002873800000000, 0.0000982200000000 ] - [ -0.0001712000000000, -0.0003232300000000, 0.0000201800000000 ] - [ -0.0046987600000000, -0.0003665500000000, 0.0003598200000000 ] - [ 0.0005286500000000, 0.0000035700000000, -0.0002787600000000 ] - [ 0.0003071200000000, -0.0000729000000000, -0.0002396100000000 ] - [ -0.0003859200000000, 0.0000763700000000, -0.0002285700000000 ] - [ 0.0001579900000000, 0.0003939000000000, 0.0005449300000000 ] - [ -0.0000564900000000, -0.0003322000000000, 0.0004036600000000 ] - [ -0.0001011500000000, -0.0001209600000000, 0.0001688600000000 ] - [ -0.0000410700000000, -0.0000209200000000, 0.0004028900000000 ] - [ -0.0001925300000000, -0.0004141300000000, 0.0001436400000000 ] - [ 0.0003027200000000, 0.0005012200000000, 0.0005689900000000 ] - [ 0.0001398500000000, -0.0002123700000000, 0.0001582800000000 ] - [ -0.0001819800000000, 0.0002307600000000, 0.0001342200000000 ] - [ 0.0000202000000000, -0.0000006200000000, 0.0004538100000000 ] - [ 0.0000000500000000, -0.0001663400000000, 0.0010588400000000 ] - [ 0.0000871900000000, 0.0002766800000000, 0.0000453300000000 ] - [ -0.0002344600000000, -0.0002846700000000, -0.0000021800000000 ] - [ -0.0002243400000000, -0.0001499700000000, -0.0001882200000000 ] - [ 0.0002227000000000, 0.0001064100000000, 0.0000126900000000 ] - [ 0.0004016900000000, -0.0001229200000000, -0.0002768700000000 ] - [ -0.0006092600000000, 0.0000189800000000, -0.0000034700000000 ] - [ 0.0000948700000000, -0.0002425500000000, 0.0000847300000000 ] - [ 0.0004917000000000, 0.0002364000000000, -0.0001859400000000 ] - [ -0.0006600700000000, 0.0003036000000000, 0.0002032900000000 ] - [ 0.0000574200000000, -0.0001965900000000, 0.0002125700000000 ] - [ 0.0002310100000000, -0.0002237300000000, -0.0003596700000000 ] - [ -0.0002625600000000, 0.0003451400000000, -0.0002451100000000 ] - [ 0.0005995600000000, 0.0001002200000000, 0.0002408600000000 ] - [ 0.0002684800000000, 0.0002143900000000, 0.0000176300000000 ] - [ -0.0017880900000000, 0.0014920200000000, -0.0010785800000000 ] - [ 0.0004134400000000, 0.0003757800000000, -0.0005541400000000 ] - [ 0.0004184900000000, 0.0002910900000000, 0.0001464600000000 ] - [ 0.0003056800000000, -0.0002850300000000, 0.0002309900000000 ] - [ 0.0003600800000000, -0.0003195400000000, -0.0004347200000000 ] - [ -0.0004405500000000, 0.0004508500000000, -0.0005623800000000 ] - [ 0.0001031600000000, 0.0001719800000000, 0.0004421700000000 ] - [ 0.0002968600000000, 0.0000613600000000, 0.0000278500000000 ] - [ 0.0001076500000000, -0.0000923200000000, -0.0002377700000000 ] - [ -0.0001215600000000, 0.0000522700000000, -0.0001697600000000 ] - [ 0.0022398000000000, 0.0004435500000000, 0.0001150200000000 ] - [ -0.0000440700000000, -0.0000669900000000, 0.0000901200000000 ] - [ -0.0010617800000000, -0.0004270200000000, -0.0001966600000000 ] - [ 0.0006675500000000, 0.0005393600000000, -0.0001951400000000 ] - [ 0.0003572500000000, 0.0001639400000000, 0.0004613300000000 ] - [ 0.0001315600000000, -0.0005067800000000, 0.0001813200000000 ] - [ 0.0061460600000000, -0.0351849300000000, 0.0400436500000000 ] - [ 0.0001029800000000, -0.0000606200000000, -0.0003602400000000 ] - [ 0.0002138900000000, 0.0005784200000000, -0.0005340800000000 ] - [ -0.0001097900000000, -0.0005708000000000, -0.0004668700000000 ] - [ -0.0008992100000000, 0.0009063900000000, 0.0005344100000000 ] - [ 0.0045841600000000, 0.0053824400000000, 0.0056344100000000 ] - [ 0.0000174300000000, -0.0001408700000000, -0.0001592900000000 ] - [ 0.0003184400000000, 0.0001524900000000, -0.0001966700000000 ] - [ -0.0000127900000000, 0.0002357600000000, -0.0001338700000000 ] - [ 0.0010780400000000, 0.0004292800000000, 0.0007163900000000 ] - [ 0.0007831700000000, -0.0000714700000000, -0.0002690800000000 ] - [ 0.0000812000000000, -0.0002185400000000, 0.0000767000000000 ] - [ -0.0002483500000000, 0.0001246700000000, 0.0003297900000000 ] - [ 0.0007354300000000, 0.0005983100000000, -0.0011934200000000 ] - [ -0.0002071300000000, -0.0006970800000000, -0.0007340700000000 ] - [ 0.0002125200000000, 0.0002366800000000, -0.0003880900000000 ] - [ -0.0002788900000000, 0.0005569200000000, 0.0004105400000000 ] - [ 0.0008140700000000, -0.0012346800000000, 0.0014869300000000 ] - [ -0.0001168100000000, 0.0002706700000000, -0.0001357600000000 ] - [ 0.0002469500000000, -0.0001404200000000, -0.0003527600000000 ] - [ -0.0002937500000000, 0.0001655400000000, 0.0003206800000000 ] - [ 0.0000773700000000, -0.0000178300000000, 0.0004181200000000 ] - [ 0.0014488600000000, -0.0011734300000000, -0.0003281600000000 ] - [ -0.0002422100000000, 0.0002020300000000, 0.0005957500000000 ] - [ -0.0002938400000000, 0.0008449100000000, -0.0007765200000000 ] - [ 0.0001987700000000, -0.0008615400000000, -0.0015173400000000 ] - [ 0.0001755200000000, 0.0007095200000000, -0.0004221400000000 ] - [ 0.0000483500000000, -0.0007460000000000, -0.0003935300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004628400000000, -0.0008314600000000, 0.0006211900000000 ] - [ 0.0000467100000000, 0.0000570700000000, 0.0000043600000000 ] - [ -0.0002126800000000, -0.0013447000000000, -0.0004848500000000 ] - [ 0.0001018600000000, 0.0000193800000000, 0.0000568600000000 ] - [ 0.0002570900000000, 0.0002281300000000, -0.0008154400000000 ] - [ 0.0004682900000000, 0.0000990100000000, -0.0000581500000000 ] - [ 0.0000069600000000, -0.0000142300000000, -0.0000865300000000 ] - [ -0.0000106000000000, 0.0000445000000000, 0.0000126200000000 ] - [ 0.0012092700000000, 0.0007143100000000, 0.0010824700000000 ] - [ -0.0000966400000000, -0.0001124100000000, 0.0004640300000000 ] - [ -0.0027304400000000, 0.0002730300000000, -0.0000020600000000 ] - [ 0.0005874800000000, 0.0009345400000000, -0.0008511500000000 ] - [ 0.0004217100000000, 0.0003587700000000, 0.0004660800000000 ] - [ 0.0003812100000000, -0.0004946000000000, 0.0004947000000000 ] - [ -0.0012154400000000, 0.0039532800000000, -0.0019790800000000 ] - [ 0.0003592700000000, -0.0001540600000000, -0.0005587600000000 ] - [ -0.0008122600000000, 0.0005139800000000, 0.0010145100000000 ] - [ 0.0066359200000000, -0.0009842800000000, 0.0022793100000000 ] - [ 0.0003680400000000, -0.0000012200000000, -0.0000659100000000 ] - [ -0.0000389900000000, 0.0000247300000000, -0.0000767900000000 ] - [ 0.0000092500000000, 0.0000391500000000, -0.0000922100000000 ] - [ -0.0005405200000000, 0.0005886000000000, -0.0004863000000000 ] - [ 0.0009299600000000, -0.0009564300000000, -0.0009292700000000 ] - [ -0.0000241500000000, -0.0000392400000000, 0.0002652300000000 ] - [ -0.0042984900000000, -0.0574304500000000, 0.0503162700000000 ] - [ 0.0002773100000000, 0.0006842200000000, 0.0002873800000000 ] - [ 0.0001670600000000, -0.0001648000000000, 0.0001083300000000 ] - [ -0.0000450500000000, 0.0001087600000000, 0.0001283200000000 ] - [ 0.0115014900000000, 0.0290455100000000, -0.0038935800000000 ] - [ 0.0000770800000000, -0.0000320300000000, 0.0000216800000000 ] - [ 0.0001602600000000, 0.0002580400000000, 0.0000688900000000 ] - [ -0.0000644000000000, -0.0002220200000000, 0.0001470900000000 ] - [ 0.0039377400000000, 0.0001770200000000, -0.0008728600000000 ] - [ 0.0001478900000000, 0.0001990700000000, -0.0002309700000000 ] - [ 0.0003685000000000, -0.0001300500000000, -0.0002701000000000 ] - [ -0.0002887700000000, 0.0001270000000000, -0.0002813000000000 ] - [ 0.0000207500000000, -0.0003350100000000, -0.0001244700000000 ] - [ -0.0001206700000000, 0.0002745400000000, 0.0000152100000000 ] - [ -0.0000761600000000, 0.0001806200000000, 0.0002512000000000 ] - [ 0.0002165300000000, -0.0000390200000000, 0.0000176900000000 ] - [ -0.0001321500000000, -0.0000921600000000, 0.0000889200000000 ] - [ 0.0000242600000000, 0.0000097600000000, -0.0003356800000000 ] - [ 0.0001852100000000, -0.0002960200000000, 0.0000744000000000 ] - [ -0.0001433200000000, 0.0002774000000000, 0.0000982800000000 ] - [ -0.0002575000000000, 0.0005465000000000, -0.0002884900000000 ] - [ 0.0002376800000000, -0.0003842900000000, -0.0008862800000000 ] - [ 0.0001481600000000, 0.0002687600000000, 0.0001226300000000 ] - [ -0.0000009900000000, -0.0002596900000000, 0.0001711600000000 ] - [ -0.0004492500000000, -0.0000533200000000, -0.0003212900000000 ] - [ 0.0004438500000000, 0.0000952900000000, -0.0005220400000000 ] - [ 0.0002717600000000, -0.0000801000000000, -0.0002331500000000 ] - [ -0.0000596500000000, 0.0001816700000000, -0.0005089000000000 ] - [ 0.0000818000000000, 0.0003009200000000, 0.0003348100000000 ] - [ -0.0006640400000000, -0.0002991300000000, 0.0006149400000000 ] - [ 0.0004805100000000, -0.0002371100000000, 0.0002252800000000 ] - [ 0.0001198100000000, 0.0001374100000000, 0.0002076100000000 ] - [ 0.0000024300000000, -0.0000006500000000, 0.0003191000000000 ] - [ 0.0000246200000000, -0.0001301800000000, 0.0002079400000000 ] - [ -0.0008277100000000, -0.0003132000000000, -0.0002732500000000 ] - [ -0.0000297500000000, 0.0000051300000000, -0.0000549000000000 ] - [ 0.0015728200000000, -0.0011703600000000, 0.0011264500000000 ] - [ -0.0002055200000000, -0.0006855100000000, 0.0006142600000000 ] - [ -0.0002132300000000, 0.0000103800000000, -0.0001006100000000 ] - [ -0.0005057800000000, -0.0000165500000000, -0.0001834700000000 ] - [ 0.0003137500000000, -0.0002277400000000, -0.0000491600000000 ] - [ -0.0002307000000000, 0.0000922100000000, 0.0000848300000000 ] - [ -0.0007803300000000, -0.0007111500000000, -0.0009099800000000 ] - [ 0.0003785600000000, 0.0004800100000000, -0.0005006800000000 ] - [ -0.0000455400000000, 0.0005132400000000, 0.0003007700000000 ] - [ 0.0000577200000000, -0.0004763900000000, 0.0002352800000000 ] - [ -0.0022430900000000, -0.0000235100000000, -0.0000439600000000 ] - [ 0.0001071800000000, -0.0003558400000000, -0.0000248000000000 ] - [ 0.0003296100000000, 0.0002741200000000, 0.0007794700000000 ] - [ 0.0000583500000000, -0.0003876300000000, 0.0007802000000000 ] - [ 0.0003689200000000, -0.0003179600000000, 0.0001233700000000 ] - [ -0.0008520200000000, 0.0006554700000000, 0.0004039600000000 ] - [ -0.0071531100000000, 0.0337988500000000, -0.0396472600000000 ] - [ 0.0002534500000000, -0.0011980700000000, -0.0005822300000000 ] - [ 0.0001430600000000, 0.0006836100000000, -0.0004096900000000 ] - [ -0.0002467100000000, -0.0006917000000000, -0.0004763000000000 ] - [ 0.0011399900000000, -0.0011268700000000, -0.0005688600000000 ] - [ -0.0047793600000000, -0.0051730500000000, -0.0055818900000000 ] - [ -0.0002547400000000, -0.0000789800000000, 0.0001208600000000 ] - [ -0.0000787200000000, 0.0000691700000000, 0.0001571500000000 ] - [ -0.0001931100000000, 0.0000651800000000, 0.0001681100000000 ] - [ -0.0008631700000000, -0.0007547700000000, -0.0006709300000000 ] - [ -0.0005778300000000, 0.0003715800000000, 0.0003118100000000 ] - [ -0.0002849300000000, -0.0000820900000000, -0.0000337100000000 ] - [ 0.0009203200000000, -0.0006636500000000, -0.0008001600000000 ] - [ -0.0014213000000000, -0.0000571100000000, 0.0007237800000000 ] - [ -0.0004697200000000, 0.0001528700000000, 0.0002540900000000 ] - [ 0.0004656700000000, 0.0003103400000000, -0.0000920300000000 ] - [ 0.0003448200000000, -0.0001348900000000, -0.0003455700000000 ] - [ -0.0008885800000000, 0.0008078900000000, -0.0014262300000000 ] - [ 0.0000514900000000, 0.0001503900000000, 0.0001989100000000 ] - [ -0.0001760700000000, -0.0002771900000000, 0.0004152500000000 ] - [ -0.0004323100000000, -0.0003189000000000, 0.0002607800000000 ] - [ 0.0006525100000000, 0.0001758000000000, 0.0001566500000000 ] - [ -0.0007239400000000, 0.0010175000000000, 0.0009033000000000 ] - [ -0.0004844600000000, -0.0000481100000000, -0.0000137000000000 ] - [ -0.0000622800000000, 0.0004158800000000, -0.0001648000000000 ] - [ 0.0001592100000000, -0.0003968600000000, 0.0005719500000000 ] - [ 0.0001820400000000, 0.0005513400000000, -0.0005209500000000 ] - [ -0.0004082300000000, -0.0005152200000000, -0.0005489600000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006203800000000, 0.0006273900000000, 0.0006742700000000 ] - [ 0.0008605200000000, -0.0001284900000000, 0.0000658600000000 ] - [ -0.0004111800000000, -0.0004210100000000, -0.0002601100000000 ] - [ 0.0001677600000000, -0.0000200100000000, 0.0000876800000000 ] - [ -0.0101591000000000, -0.0025486700000000, 0.0010276900000000 ] - [ 0.0010470500000000, 0.0003036900000000, -0.0002285000000000 ] - [ -0.0009896100000000, 0.0003307600000000, -0.0004553200000000 ] - [ 0.0003208200000000, -0.0017739500000000, 0.0020968900000000 ] - [ 0.0019660400000000, 0.0014244900000000, 0.0013017200000000 ] - [ 0.0005317000000000, -0.0006275300000000, -0.0000629900000000 ] - [ 0.0003257600000000, -0.0002599200000000, 0.0001967900000000 ] - [ -0.0004482000000000, -0.0001520700000000, 0.0003557800000000 ] - [ 0.0008109600000000, 0.0004880900000000, 0.0005830700000000 ] - [ 0.0002156100000000, 0.0004868500000000, -0.0003871700000000 ] - [ 0.0002495000000000, -0.0011198200000000, 0.0004401800000000 ] - [ 0.0005870800000000, -0.0000928100000000, -0.0004931600000000 ] - [ -0.0000706400000000, -0.0000990900000000, 0.0002858200000000 ] - [ -0.0029886500000000, 0.0009765600000000, -0.0007299700000000 ] - [ 0.0006000000000000, -0.0000880400000000, 0.0000906000000000 ] - [ 0.0000913400000000, 0.0001127700000000, 0.0004025100000000 ] - [ 0.0002136300000000, 0.0008752000000000, -0.0005743300000000 ] - [ 0.0086301200000000, -0.0033090300000000, 0.0038806100000000 ] - [ 0.0012019400000000, -0.0008444300000000, -0.0008765200000000 ] - [ 0.0000328400000000, 0.0001628000000000, -0.0000001900000000 ] - [ -0.0064633100000000, 0.0014686500000000, -0.0117120100000000 ] - [ 0.0001316000000000, 0.0000373200000000, 0.0000748400000000 ] - [ 0.0002733600000000, -0.0004061600000000, 0.0001465900000000 ] - [ 0.0001327000000000, 0.0001607200000000, -0.0000003200000000 ] - [ -0.0966177400000000, 0.0362746100000000, -0.1173999400000000 ] - [ -0.0003118400000000, -0.0000610300000000, -0.0000405700000000 ] - [ 0.0002180800000000, 0.0003376300000000, 0.0000799500000000 ] - [ 0.0000073000000000, -0.0001781700000000, 0.0002430900000000 ] - [ 0.0033533000000000, -0.0030575100000000, 0.0080393100000000 ] - [ -0.0002111000000000, -0.0002018900000000, -0.0004312200000000 ] - [ 0.0007128000000000, -0.0001315600000000, -0.0002624000000000 ] - [ 0.0002324200000000, -0.0000179800000000, -0.0001984900000000 ] - [ 0.0001238100000000, 0.0001077400000000, 0.0003030200000000 ] - [ -0.0000485500000000, -0.0005140300000000, 0.0004753500000000 ] - [ -0.0000682300000000, 0.0000727000000000, 0.0002483000000000 ] - [ 0.0001109800000000, 0.0001345900000000, 0.0003470600000000 ] - [ -0.0005238800000000, -0.0009622900000000, 0.0002542400000000 ] - [ -0.0000576500000000, 0.0005589400000000, 0.0002343400000000 ] - [ 0.0002439800000000, -0.0001805400000000, 0.0001587500000000 ] - [ -0.0000845100000000, 0.0000920600000000, 0.0000628100000000 ] - [ -0.0000771800000000, 0.0001589700000000, 0.0002831200000000 ] - [ 0.0000504700000000, -0.0002660200000000, 0.0004137500000000 ] - [ 0.0001766100000000, 0.0002662800000000, 0.0000514200000000 ] - [ 0.0001002600000000, -0.0001595800000000, 0.0001914900000000 ] - [ -0.0006119000000000, -0.0001333900000000, -0.0002433900000000 ] - [ -0.0000611000000000, 0.0002040600000000, -0.0001088100000000 ] - [ 0.0006466400000000, -0.0001250600000000, -0.0002369600000000 ] - [ 0.0002717300000000, 0.0001197100000000, -0.0002929000000000 ] - [ 0.0000807500000000, 0.0000706500000000, 0.0001941800000000 ] - [ 0.0015428700000000, 0.0022742400000000, -0.0007159200000000 ] - [ 0.0004999800000000, -0.0005401500000000, 0.0001538100000000 ] - [ 0.0000666900000000, -0.0003576600000000, 0.0002990100000000 ] - [ 0.0023393400000000, -0.0008525400000000, -0.0006412600000000 ] - [ 0.0009298800000000, 0.0024652500000000, -0.0021050700000000 ] - [ -0.0014242300000000, -0.0005564800000000, -0.0001895000000000 ] - [ -0.0005440800000000, 0.0000747000000000, 0.0001842500000000 ] - [ -0.0003242500000000, 0.0004992400000000, -0.0003278400000000 ] - [ 0.0005563600000000, 0.0002644700000000, -0.0004562300000000 ] - [ -0.0005571300000000, 0.0000069200000000, -0.0000817500000000 ] - [ -0.0006207300000000, -0.0001991800000000, -0.0000067100000000 ] - [ 0.0005011500000000, -0.0004149100000000, 0.0001747700000000 ] - [ -0.0016362400000000, 0.0024441800000000, -0.0020791700000000 ] - [ -0.0008436300000000, -0.0009000300000000, -0.0009626900000000 ] - [ 0.0000721100000000, 0.0003542800000000, 0.0002473900000000 ] - [ 0.0000791400000000, 0.0000520900000000, -0.0000282000000000 ] - [ -0.0006205500000000, 0.0006419700000000, -0.0007110700000000 ] - [ 0.0000321500000000, 0.0003966100000000, -0.0026820500000000 ] - [ 0.0001216700000000, 0.0002630700000000, 0.0003169900000000 ] - [ -0.0005535900000000, -0.0001175400000000, 0.0001344000000000 ] - [ 0.0005137800000000, 0.0004686900000000, -0.0000165400000000 ] - [ 0.0003272700000000, -0.0002656000000000, 0.0000630500000000 ] - [ -0.0002268100000000, -0.0002242200000000, 0.0000705100000000 ] - [ 0.0889795000000000, -0.0417066700000000, 0.1298007200000000 ] - [ 0.0006888100000000, -0.0005647700000000, -0.0003133700000000 ] - [ -0.0001512600000000, 0.0005269300000000, -0.0005546100000000 ] - [ -0.0005885300000000, -0.0005310800000000, -0.0005598000000000 ] - [ 0.0000164900000000, 0.0002594300000000, -0.0000235300000000 ] - [ 0.0022463000000000, 0.0030191900000000, -0.0003200800000000 ] - [ -0.0004512800000000, -0.0000044900000000, 0.0000389400000000 ] - [ -0.0001820700000000, -0.0000246900000000, 0.0000366300000000 ] - [ 0.0018275900000000, 0.0001300900000000, 0.0013900200000000 ] - [ 0.0079205100000000, 0.0057521500000000, -0.0092692300000000 ] - [ -0.0007184800000000, 0.0002966800000000, 0.0002713200000000 ] - [ -0.0003851800000000, -0.0000832800000000, 0.0000137700000000 ] - [ 0.0001971700000000, -0.0001373400000000, -0.0002238900000000 ] - [ 0.0003140300000000, 0.0001618800000000, -0.0002486000000000 ] - [ -0.0005381700000000, 0.0001443700000000, 0.0001708300000000 ] - [ 0.0002973200000000, 0.0001375300000000, -0.0002501900000000 ] - [ -0.0001895300000000, 0.0003188600000000, 0.0000688400000000 ] - [ 0.0002210600000000, -0.0018589000000000, 0.0010902300000000 ] - [ 0.0000490000000000, 0.0002786800000000, 0.0000556300000000 ] - [ 0.0001418600000000, -0.0004955800000000, -0.0001132500000000 ] - [ -0.0003923200000000, -0.0002506600000000, 0.0004757100000000 ] - [ -0.0024350200000000, -0.0008321200000000, 0.0005246400000000 ] - [ -0.0005266500000000, 0.0010216200000000, 0.0009218500000000 ] - [ -0.0003028800000000, 0.0003216400000000, 0.0002942300000000 ] - [ 0.0001130300000000, 0.0011535000000000, -0.0006484300000000 ] - [ 0.0005222800000000, -0.0008188600000000, -0.0006905600000000 ] - [ -0.0000555500000000, 0.0007329800000000, -0.0004772700000000 ] - [ -0.0007438600000000, -0.0006976700000000, -0.0003965500000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006194100000000, -0.0006430200000000, -0.0005525600000000 ] - [ -0.0008610300000000, 0.0001309700000000, 0.0000757600000000 ] - [ 0.0004087300000000, 0.0004275600000000, 0.0004074200000000 ] - [ -0.0001677500000000, 0.0000196600000000, 0.0000560400000000 ] - [ 0.0102037100000000, 0.0025515000000000, -0.0016521600000000 ] - [ -0.0010408700000000, -0.0002975700000000, -0.0003976600000000 ] - [ 0.0005913300000000, -0.0000180300000000, 0.0010767200000000 ] - [ 0.0000700100000000, 0.0014600500000000, -0.0014685200000000 ] - [ -0.0015624400000000, -0.0010730900000000, -0.0006317700000000 ] - [ -0.0009228700000000, 0.0003116000000000, 0.0007004300000000 ] - [ -0.0006695200000000, 0.0000608500000000, -0.0001310400000000 ] - [ 0.0007813800000000, 0.0003570300000000, -0.0002905300000000 ] - [ -0.0004860500000000, -0.0006873900000000, -0.0005122300000000 ] - [ -0.0005338800000000, -0.0002851700000000, 0.0004565400000000 ] - [ -0.0002517400000000, 0.0011351300000000, -0.0010770300000000 ] - [ -0.0005844700000000, 0.0000911900000000, -0.0001409400000000 ] - [ -0.0003365700000000, 0.0004217100000000, 0.0003520400000000 ] - [ 0.0034143500000000, -0.0012988100000000, 0.0013668200000000 ] - [ -0.0002018200000000, 0.0004073700000000, 0.0005419800000000 ] - [ -0.0004861400000000, -0.0004327800000000, 0.0002310900000000 ] - [ -0.0005338000000000, -0.0010660900000000, 0.0006389600000000 ] - [ -0.0083257100000000, 0.0035668500000000, -0.0038961300000000 ] - [ -0.0008734000000000, 0.0006380500000000, 0.0009406400000000 ] - [ -0.0003568100000000, 0.0000401600000000, 0.0000690200000000 ] - [ 0.0062549900000000, -0.0019721900000000, 0.0117229900000000 ] - [ 0.0001925400000000, 0.0004709800000000, 0.0001564800000000 ] - [ 0.0000516400000000, -0.0000997000000000, 0.0000855800000000 ] - [ -0.0004562300000000, 0.0003439000000000, 0.0002330200000000 ] - [ 0.0978333200000000, -0.0346442000000000, 0.1144546600000000 ] - [ 0.0005411600000000, -0.0004859800000000, 0.0002173800000000 ] - [ 0.0000175100000000, 0.0002075900000000, 0.0000874800000000 ] - [ -0.0002424600000000, -0.0003664800000000, -0.0000750200000000 ] - [ -0.0038907900000000, 0.0027968700000000, -0.0083977500000000 ] - [ 0.0008907100000000, 0.0004038900000000, -0.0000775400000000 ] - [ -0.0000395300000000, -0.0000719100000000, -0.0002477100000000 ] - [ -0.0009063800000000, 0.0002213500000000, -0.0003113900000000 ] - [ 0.0000520800000000, -0.0000527300000000, 0.0001130700000000 ] - [ -0.0001287400000000, 0.0004583400000000, -0.0000576700000000 ] - [ -0.0001089000000000, -0.0000117500000000, 0.0001714000000000 ] - [ 0.0000666400000000, -0.0001946900000000, 0.0000720500000000 ] - [ 0.0002000800000000, 0.0004601600000000, -0.0000235900000000 ] - [ 0.0003799600000000, -0.0000572700000000, -0.0000035100000000 ] - [ 0.0000815600000000, -0.0003294300000000, 0.0000733900000000 ] - [ -0.0002410900000000, 0.0004172200000000, 0.0001697000000000 ] - [ -0.0001593600000000, 0.0003879700000000, -0.0001180600000000 ] - [ 0.0001849700000000, -0.0002784800000000, -0.0002501800000000 ] - [ 0.0000593100000000, 0.0002795000000000, 0.0001157700000000 ] - [ -0.0003360600000000, -0.0003875700000000, -0.0000251300000000 ] - [ -0.0000632600000000, -0.0000688700000000, -0.0002668900000000 ] - [ 0.0007381600000000, -0.0000011900000000, -0.0004010400000000 ] - [ 0.0000254900000000, -0.0000772300000000, -0.0002725600000000 ] - [ -0.0009412800000000, 0.0000815900000000, -0.0002165900000000 ] - [ 0.0000949600000000, -0.0000058100000000, 0.0002290100000000 ] - [ -0.0017369500000000, -0.0023647300000000, 0.0011456100000000 ] - [ -0.0006779700000000, 0.0005803600000000, 0.0002615300000000 ] - [ 0.0001107900000000, 0.0003005300000000, 0.0001200600000000 ] - [ -0.0021065800000000, 0.0006383200000000, 0.0006128700000000 ] - [ -0.0011665600000000, -0.0022607300000000, 0.0020825200000000 ] - [ 0.0011739500000000, 0.0003270600000000, 0.0001426400000000 ] - [ 0.0007756600000000, 0.0001409500000000, -0.0002237700000000 ] - [ 0.0001261800000000, -0.0002066800000000, 0.0003770400000000 ] - [ -0.0003552900000000, -0.0005701100000000, 0.0005049100000000 ] - [ 0.0007626200000000, 0.0002914300000000, 0.0001240100000000 ] - [ 0.0004089900000000, -0.0001019000000000, 0.0000483400000000 ] - [ 0.0001747400000000, -0.0001293600000000, -0.0006465400000000 ] - [ 0.0009487400000000, -0.0019020800000000, 0.0016063100000000 ] - [ 0.0001774100000000, 0.0003488500000000, 0.0004717900000000 ] - [ 0.0005960400000000, 0.0001901400000000, -0.0007264200000000 ] - [ -0.0000149700000000, 0.0003750500000000, 0.0000978100000000 ] - [ 0.0005582100000000, -0.0010684900000000, 0.0007792200000000 ] - [ -0.0001336200000000, 0.0000288400000000, 0.0026993500000000 ] - [ -0.0000621000000000, -0.0006884100000000, -0.0002526700000000 ] - [ -0.0001694900000000, -0.0000321100000000, 0.0004526700000000 ] - [ 0.0002105900000000, -0.0003187100000000, 0.0006023000000000 ] - [ 0.0004032000000000, 0.0001090800000000, 0.0005194800000000 ] - [ -0.0005063000000000, 0.0003802200000000, 0.0005137600000000 ] - [ -0.0907544700000000, 0.0419725100000000, -0.1275544500000000 ] - [ -0.0003304900000000, -0.0006931300000000, -0.0006336900000000 ] - [ 0.0005085300000000, 0.0007365300000000, -0.0003878100000000 ] - [ 0.0002310000000000, -0.0007328400000000, -0.0003833000000000 ] - [ 0.0002261300000000, -0.0004831700000000, -0.0000160300000000 ] - [ -0.0024975900000000, -0.0028057100000000, 0.0002893900000000 ] - [ 0.0002139600000000, -0.0002161300000000, -0.0000764400000000 ] - [ 0.0004160600000000, 0.0002461800000000, -0.0000743100000000 ] - [ -0.0020296400000000, 0.0001619500000000, -0.0013433800000000 ] - [ -0.0079468600000000, -0.0061189100000000, 0.0093837100000000 ] - [ 0.0009221500000000, 0.0000067100000000, -0.0002252800000000 ] - [ 0.0001770800000000, -0.0002178300000000, 0.0000304100000000 ] - [ 0.0004828500000000, -0.0004080900000000, -0.0002562900000000 ] - [ -0.0009967200000000, 0.0003816100000000, -0.0002283900000000 ] - [ -0.0001367300000000, -0.0006861000000000, -0.0006464900000000 ] - [ 0.0003762100000000, 0.0004062700000000, -0.0002283300000000 ] - [ 0.0002582800000000, 0.0000971900000000, -0.0000083400000000 ] - [ -0.0003006700000000, 0.0014504900000000, -0.0010335100000000 ] - [ -0.0001130500000000, 0.0001406800000000, 0.0000089900000000 ] - [ -0.0000805400000000, 0.0000754000000000, 0.0001784600000000 ] - [ -0.0003363800000000, 0.0000898700000000, 0.0001045100000000 ] - [ 0.0031763700000000, 0.0009894200000000, 0.0000687900000000 ] - [ 0.0012567100000000, -0.0011620400000000, -0.0003348700000000 ] - [ -0.0004264900000000, -0.0001702000000000, 0.0002884600000000 ] - [ -0.0004694800000000, 0.0001032900000000, -0.0002922700000000 ] - [ -0.0001650200000000, -0.0004399200000000, -0.0002506600000000 ] - [ 0.0004129300000000, 0.0005264700000000, -0.0004656900000000 ] - [ 0.0003834900000000, -0.0005596700000000, -0.0005462300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006279400000000, -0.0011830900000000, 0.0000840800000000 ] - [ -0.0004433300000000, -0.0001164900000000, 0.0002017600000000 ] - [ 0.0000830900000000, 0.0012227500000000, 0.0005870500000000 ] - [ -0.0000422700000000, 0.0001267900000000, -0.0000034000000000 ] - [ 0.0056899800000000, 0.0037047200000000, -0.0064749900000000 ] - [ -0.0008684200000000, -0.0006098500000000, -0.0004843900000000 ] - [ 0.0009936200000000, -0.0008373900000000, -0.0001905500000000 ] - [ -0.0003346200000000, 0.0016063500000000, -0.0016157600000000 ] - [ -0.0015119200000000, -0.0018691300000000, -0.0009474300000000 ] - [ -0.0010615100000000, -0.0002735000000000, 0.0009334900000000 ] - [ -0.0007309400000000, 0.0002604000000000, -0.0001005700000000 ] - [ 0.0004185900000000, 0.0007564900000000, -0.0005505900000000 ] - [ -0.0002032100000000, -0.0008763900000000, -0.0007472200000000 ] - [ -0.0004089900000000, -0.0005436800000000, 0.0003043600000000 ] - [ -0.0006436900000000, 0.0014252500000000, -0.0008822900000000 ] - [ -0.0003497400000000, 0.0002985200000000, -0.0000629500000000 ] - [ -0.0003283300000000, 0.0007544500000000, 0.0005754800000000 ] - [ 0.0017562000000000, 0.0010637700000000, -0.0004821000000000 ] - [ -0.0000042000000000, 0.0006626400000000, 0.0006576400000000 ] - [ -0.0001724100000000, -0.0003668100000000, 0.0004765900000000 ] - [ 0.0032379800000000, -0.0006483500000000, 0.0001099500000000 ] - [ -0.0109418600000000, -0.0003423900000000, 0.0014889100000000 ] - [ -0.0006928600000000, 0.0007762300000000, 0.0010437600000000 ] - [ -0.0002004900000000, 0.0005505900000000, -0.0000969000000000 ] - [ -0.0155112300000000, 0.0111182700000000, -0.0280413000000000 ] - [ 0.0004693700000000, 0.0010298200000000, 0.0003606100000000 ] - [ 0.0000882400000000, -0.0001156900000000, 0.0001202500000000 ] - [ -0.0003743000000000, 0.0001580800000000, 0.0001288200000000 ] - [ 0.0350365600000000, -0.0876781200000000, 0.0948218200000000 ] - [ 0.0003324000000000, 0.0010254200000000, 0.0004425800000000 ] - [ 0.0000525400000000, 0.0002126400000000, 0.0000350600000000 ] - [ -0.0002123400000000, -0.0003724700000000, -0.0001131600000000 ] - [ -0.0084899800000000, -0.0009201600000000, 0.0014903500000000 ] - [ -0.0001932600000000, 0.0005046700000000, -0.0000683800000000 ] - [ 0.0003190700000000, -0.0001324400000000, -0.0002699300000000 ] - [ -0.0009144500000000, 0.0002262500000000, -0.0003247300000000 ] - [ 0.0000561000000000, -0.0002661400000000, -0.0000484000000000 ] - [ -0.0001631000000000, 0.0006070300000000, -0.0001181600000000 ] - [ -0.0000737300000000, 0.0000854200000000, 0.0001426300000000 ] - [ 0.0000537200000000, -0.0003068200000000, 0.0000911500000000 ] - [ 0.0001107800000000, 0.0005433200000000, -0.0001584500000000 ] - [ 0.0001435700000000, -0.0005616900000000, 0.0000055300000000 ] - [ 0.0001431000000000, -0.0004086500000000, 0.0001308600000000 ] - [ -0.0002192100000000, 0.0004903400000000, 0.0001669600000000 ] - [ -0.0002324000000000, 0.0004690800000000, -0.0001964500000000 ] - [ 0.0001247400000000, -0.0001690000000000, -0.0001851000000000 ] - [ 0.0001241400000000, 0.0003837500000000, 0.0000404200000000 ] - [ -0.0002321100000000, -0.0002407300000000, 0.0001546700000000 ] - [ -0.0000668700000000, 0.0000039000000000, -0.0003021000000000 ] - [ 0.0006258700000000, 0.0000031200000000, -0.0002885000000000 ] - [ 0.0002628900000000, -0.0000353600000000, -0.0002422200000000 ] - [ 0.0003069600000000, -0.0002114200000000, -0.0001177400000000 ] - [ 0.0001622800000000, 0.0005302200000000, 0.0005273800000000 ] - [ 0.0010442500000000, -0.0021125400000000, 0.0013024500000000 ] - [ -0.0005620600000000, 0.0005782500000000, 0.0004408900000000 ] - [ 0.0000719200000000, 0.0005264000000000, 0.0000116300000000 ] - [ -0.0019159400000000, 0.0010852100000000, 0.0014698900000000 ] - [ -0.0001793400000000, -0.0018460200000000, 0.0017619500000000 ] - [ 0.0011939400000000, 0.0006407500000000, 0.0003981400000000 ] - [ 0.0007949400000000, 0.0003291300000000, -0.0002560700000000 ] - [ 0.0001957000000000, -0.0003310900000000, 0.0002629700000000 ] - [ -0.0000616300000000, -0.0008001700000000, 0.0005354000000000 ] - [ 0.0005785100000000, 0.0004217200000000, 0.0002744800000000 ] - [ 0.0003331200000000, 0.0000331400000000, 0.0000973500000000 ] - [ -0.0004551500000000, 0.0005220400000000, 0.0001262500000000 ] - [ 0.0020717100000000, -0.0022096200000000, 0.0010149900000000 ] - [ 0.0001288100000000, 0.0009869500000000, 0.0005091000000000 ] - [ 0.0006033900000000, 0.0005941300000000, -0.0007668900000000 ] - [ -0.0004101900000000, 0.0008694800000000, 0.0005623700000000 ] - [ 0.0007210300000000, -0.0012023500000000, 0.0009139700000000 ] - [ 0.0052820100000000, 0.0011862700000000, -0.0001836000000000 ] - [ 0.0006361100000000, -0.0005812900000000, -0.0003626500000000 ] - [ -0.0002013600000000, 0.0000187000000000, 0.0005392500000000 ] - [ 0.0002327200000000, -0.0005439600000000, 0.0007312900000000 ] - [ 0.0002501700000000, 0.0001415600000000, 0.0007008700000000 ] - [ -0.0004911800000000, 0.0005674600000000, 0.0006163700000000 ] - [ -0.0215372400000000, 0.0743768400000000, -0.0763229500000000 ] - [ 0.0001048400000000, -0.0018803600000000, -0.0011539900000000 ] - [ 0.0002699700000000, 0.0008204400000000, -0.0004039100000000 ] - [ 0.0001902700000000, -0.0007760100000000, -0.0003428100000000 ] - [ 0.0002872900000000, -0.0010141100000000, -0.0001792200000000 ] - [ 0.0003340400000000, -0.0007441400000000, 0.0011746000000000 ] - [ 0.0000392500000000, -0.0003812100000000, -0.0001523600000000 ] - [ 0.0001856000000000, 0.0001997300000000, -0.0001014600000000 ] - [ -0.0030754000000000, -0.0012193200000000, 0.0007895300000000 ] - [ 0.0067882400000000, 0.0026292300000000, 0.0093651900000000 ] - [ 0.0007568200000000, -0.0001034900000000, -0.0003470300000000 ] - [ 0.0000129800000000, -0.0003688100000000, 0.0000607500000000 ] - [ 0.0004176600000000, -0.0006108000000000, -0.0004097000000000 ] - [ -0.0007028300000000, -0.0003909800000000, 0.0003562200000000 ] - [ -0.0001689400000000, -0.0008704300000000, -0.0007529900000000 ] - [ 0.0001646700000000, 0.0000933800000000, -0.0003355100000000 ] - [ 0.0001693900000000, -0.0002992600000000, -0.0002011400000000 ] - [ -0.0015729800000000, 0.0003175900000000, -0.0002409200000000 ] - [ -0.0002131900000000, -0.0000670900000000, -0.0000233200000000 ] - [ -0.0000739900000000, 0.0000734900000000, 0.0000692100000000 ] - [ -0.0012874600000000, -0.0004265000000000, -0.0003911000000000 ] - [ 0.0029136600000000, 0.0024536500000000, -0.0015389200000000 ] - [ 0.0012857300000000, -0.0011884800000000, -0.0004261400000000 ] - [ -0.0003432500000000, -0.0005570300000000, 0.0004353100000000 ] - [ -0.0003730200000000, -0.0000548700000000, -0.0002003600000000 ] - [ 0.0000735500000000, -0.0002951200000000, -0.0004521500000000 ] - [ 0.0002321200000000, 0.0004389700000000, -0.0004682400000000 ] - [ -0.0003372500000000, -0.0005440200000000, -0.0005153100000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006278000000000, 0.0011669400000000, 0.0000558900000000 ] - [ 0.0004396200000000, 0.0001146000000000, -0.0000564900000000 ] - [ -0.0000801700000000, -0.0012281300000000, -0.0004460700000000 ] - [ 0.0000406000000000, -0.0001255600000000, 0.0001463600000000 ] - [ -0.0056519800000000, -0.0036841100000000, 0.0057831800000000 ] - [ 0.0008609000000000, 0.0006020800000000, -0.0001519700000000 ] - [ -0.0013861700000000, 0.0011479600000000, 0.0008227600000000 ] - [ 0.0007332700000000, -0.0019114500000000, 0.0022341300000000 ] - [ 0.0018905300000000, 0.0021556700000000, 0.0015562400000000 ] - [ 0.0006569700000000, -0.0000519500000000, -0.0002905100000000 ] - [ 0.0003929500000000, -0.0004547900000000, 0.0001666900000000 ] - [ -0.0000898900000000, -0.0005516700000000, 0.0006175600000000 ] - [ 0.0005271600000000, 0.0006663800000000, 0.0008084100000000 ] - [ 0.0000834600000000, 0.0007415500000000, -0.0002368500000000 ] - [ 0.0006566800000000, -0.0014117800000000, 0.0002554900000000 ] - [ 0.0003460100000000, -0.0002968100000000, -0.0005691900000000 ] - [ -0.0000670600000000, -0.0004291000000000, 0.0000631900000000 ] - [ -0.0013547900000000, -0.0013778100000000, 0.0011198900000000 ] - [ 0.0004018900000000, -0.0003412600000000, -0.0000235100000000 ] - [ -0.0002296900000000, 0.0000482700000000, 0.0001555600000000 ] - [ -0.0035317800000000, 0.0004332800000000, -0.0000394400000000 ] - [ 0.0111665300000000, 0.0005365000000000, -0.0013785200000000 ] - [ 0.0010159800000000, -0.0009741100000000, -0.0009709700000000 ] - [ -0.0001309600000000, -0.0003470100000000, 0.0001648200000000 ] - [ 0.0152309300000000, -0.0119106000000000, 0.0289719500000000 ] - [ -0.0001403200000000, -0.0005138100000000, -0.0001253300000000 ] - [ 0.0002363900000000, -0.0003916200000000, 0.0001123000000000 ] - [ 0.0000462400000000, 0.0003508300000000, 0.0001040400000000 ] - [ -0.0358699600000000, 0.0867992800000000, -0.0962829700000000 ] - [ -0.0000928600000000, -0.0015541200000000, -0.0002735000000000 ] - [ 0.0001824000000000, 0.0003324100000000, 0.0001317100000000 ] - [ -0.0000240100000000, -0.0001738100000000, 0.0002790000000000 ] - [ 0.0077003700000000, 0.0006877200000000, -0.0019964400000000 ] - [ 0.0008578700000000, -0.0002985300000000, -0.0004394200000000 ] - [ 0.0003535100000000, -0.0000707900000000, -0.0002400200000000 ] - [ 0.0002361600000000, -0.0000225300000000, -0.0001856800000000 ] - [ 0.0001204600000000, 0.0003227800000000, 0.0004646400000000 ] - [ -0.0000145600000000, -0.0006623400000000, 0.0005357400000000 ] - [ -0.0001034700000000, -0.0000260200000000, 0.0002764000000000 ] - [ 0.0001234900000000, 0.0002477900000000, 0.0003259900000000 ] - [ -0.0004349100000000, -0.0010468000000000, 0.0003886600000000 ] - [ 0.0001823500000000, 0.0010658900000000, 0.0002237600000000 ] - [ 0.0001815200000000, -0.0000996600000000, 0.0001013500000000 ] - [ -0.0001065600000000, 0.0000190000000000, 0.0000656900000000 ] - [ -0.0000032800000000, 0.0000776000000000, 0.0003627800000000 ] - [ 0.0001122900000000, -0.0003765400000000, 0.0003468300000000 ] - [ 0.0001109000000000, 0.0001621200000000, 0.0001273000000000 ] - [ -0.0000043500000000, -0.0003040900000000, 0.0000136700000000 ] - [ -0.0006045300000000, -0.0002059300000000, -0.0002084000000000 ] - [ 0.0000493900000000, 0.0001992800000000, -0.0002231900000000 ] - [ 0.0004105600000000, -0.0001670300000000, -0.0002672400000000 ] - [ -0.0009849600000000, 0.0004142900000000, -0.0003928900000000 ] - [ 0.0000157500000000, -0.0004671900000000, -0.0001052800000000 ] - [ -0.0012079300000000, 0.0020582900000000, -0.0008730300000000 ] - [ 0.0003820600000000, -0.0005061000000000, -0.0000124800000000 ] - [ 0.0001046500000000, -0.0005825300000000, 0.0004072800000000 ] - [ 0.0021365100000000, -0.0012941200000000, -0.0014991100000000 ] - [ -0.0000572900000000, 0.0020614200000000, -0.0017974700000000 ] - [ -0.0014142500000000, -0.0008506500000000, -0.0004290600000000 ] - [ -0.0005523900000000, -0.0001061400000000, 0.0002151700000000 ] - [ -0.0004003000000000, 0.0006199600000000, -0.0002151600000000 ] - [ 0.0002634900000000, 0.0004974500000000, -0.0004917100000000 ] - [ -0.0003706100000000, -0.0001182300000000, -0.0002273500000000 ] - [ -0.0005354500000000, -0.0003325700000000, -0.0000518700000000 ] - [ 0.0011227900000000, -0.0010550800000000, -0.0006015500000000 ] - [ -0.0027360100000000, 0.0027328400000000, -0.0014884100000000 ] - [ -0.0008038400000000, -0.0015161100000000, -0.0009781600000000 ] - [ 0.0000704900000000, -0.0000434900000000, 0.0002863200000000 ] - [ 0.0004729300000000, -0.0004426900000000, -0.0004933600000000 ] - [ -0.0007808800000000, 0.0007738100000000, -0.0008425400000000 ] - [ -0.0052685700000000, -0.0007426300000000, 0.0002498300000000 ] - [ -0.0005630500000000, 0.0001591100000000, 0.0004221500000000 ] - [ -0.0005238300000000, -0.0001721000000000, 0.0000476800000000 ] - [ 0.0004936700000000, 0.0006940600000000, -0.0001458900000000 ] - [ 0.0004761900000000, -0.0002930100000000, -0.0001139100000000 ] - [ -0.0002390800000000, -0.0004105400000000, -0.0000276400000000 ] - [ 0.0216995600000000, -0.0714996300000000, 0.0762035300000000 ] - [ 0.0002520900000000, 0.0006036200000000, 0.0002037200000000 ] - [ 0.0000888600000000, 0.0004424600000000, -0.0005386700000000 ] - [ -0.0005445700000000, -0.0004869100000000, -0.0005992200000000 ] - [ -0.0000531400000000, 0.0007864300000000, 0.0001371100000000 ] - [ -0.0005823500000000, 0.0009591700000000, -0.0012331200000000 ] - [ -0.0002750700000000, 0.0001597700000000, 0.0001141700000000 ] - [ 0.0000535500000000, 0.0000206000000000, 0.0000631400000000 ] - [ 0.0028376000000000, 0.0015114000000000, -0.0007329300000000 ] - [ -0.0064402000000000, -0.0028248000000000, -0.0091748000000000 ] - [ -0.0005488900000000, 0.0004030000000000, 0.0003896900000000 ] - [ -0.0002148300000000, 0.0000664200000000, -0.0000160100000000 ] - [ 0.0002586700000000, 0.0000620100000000, -0.0000720500000000 ] - [ 0.0000270100000000, 0.0009340900000000, -0.0008331300000000 ] - [ -0.0005070900000000, 0.0003237000000000, 0.0002727800000000 ] - [ 0.0005136000000000, 0.0004503700000000, -0.0001408700000000 ] - [ -0.0001046800000000, 0.0007162800000000, 0.0002629900000000 ] - [ 0.0015110900000000, -0.0007404800000000, 0.0002994800000000 ] - [ 0.0001470600000000, 0.0004862800000000, 0.0000876500000000 ] - [ 0.0001383200000000, -0.0004936800000000, -0.0000029600000000 ] - [ 0.0005513200000000, 0.0002705600000000, 0.0009685000000000 ] - [ -0.0021712300000000, -0.0022837200000000, 0.0020992800000000 ] - [ -0.0005589500000000, 0.0010272500000000, 0.0010025100000000 ] - [ -0.0003823100000000, 0.0007069900000000, 0.0001490700000000 ] - [ 0.0000146800000000, 0.0013130100000000, -0.0007400900000000 ] - [ 0.0002818000000000, -0.0009635800000000, -0.0004842600000000 ] - [ 0.0001255700000000, 0.0008212900000000, -0.0004751500000000 ] - [ -0.0000158500000000, -0.0007181000000000, -0.0004281900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000501900000000, 0.0016013000000000, 0.0032084900000000 ] - [ 0.0007480300000000, 0.0000498500000000, -0.0002578600000000 ] - [ -0.0002056900000000, -0.0001165000000000, -0.0006354100000000 ] - [ 0.0000611400000000, -0.0001112000000000, 0.0002376700000000 ] - [ -0.0118406800000000, -0.0081587000000000, 0.0082101500000000 ] - [ 0.0008080600000000, 0.0006791400000000, 0.0000404500000000 ] - [ -0.0036759900000000, 0.0008251400000000, 0.0010114800000000 ] - [ 0.0014020900000000, -0.0032698800000000, 0.0037720200000000 ] - [ 0.0026080100000000, 0.0027100200000000, 0.0023608400000000 ] - [ -0.0003275500000000, 0.0003956500000000, -0.0008943300000000 ] - [ 0.0008463900000000, -0.0004507500000000, 0.0005719800000000 ] - [ -0.0004036000000000, -0.0007410200000000, 0.0010640600000000 ] - [ 0.0007277900000000, 0.0010414800000000, 0.0013442200000000 ] - [ -0.0005081300000000, -0.0000340400000000, 0.0009731700000000 ] - [ 0.0010475300000000, -0.0021417500000000, 0.0012748900000000 ] - [ 0.0004404100000000, -0.0001482200000000, -0.0006458200000000 ] - [ 0.0003716600000000, -0.0003845300000000, 0.0000055100000000 ] - [ -0.0033218600000000, -0.0009952400000000, 0.0005034500000000 ] - [ 0.0004136000000000, -0.0002206900000000, 0.0001243800000000 ] - [ 0.0001527900000000, 0.0003010500000000, 0.0002447100000000 ] - [ -0.0030376500000000, -0.0000125300000000, -0.0010636100000000 ] - [ 0.0188840500000000, 0.0007081100000000, -0.0044377200000000 ] - [ 0.0008207400000000, -0.0007917000000000, -0.0008632000000000 ] - [ -0.0000509900000000, 0.0000567500000000, -0.0003167100000000 ] - [ -0.0009301700000000, -0.0023620100000000, 0.0040993100000000 ] - [ 0.0001188000000000, -0.0000445100000000, 0.0001804500000000 ] - [ 0.0001849200000000, -0.0002907200000000, 0.0000775500000000 ] - [ 0.0001779100000000, 0.0002150800000000, 0.0000304000000000 ] - [ -0.1214711600000000, 0.1003477400000000, -0.2591530300000000 ] - [ 0.0002477300000000, -0.0006293500000000, -0.0014172200000000 ] - [ 0.0001202100000000, 0.0002238000000000, 0.0003971300000000 ] - [ 0.0000395700000000, -0.0000784300000000, 0.0004772100000000 ] - [ 0.0121749000000000, 0.0023281900000000, -0.0031929900000000 ] - [ -0.0000478100000000, 0.0000696400000000, -0.0006135100000000 ] - [ 0.0000995900000000, -0.0000863300000000, -0.0002400500000000 ] - [ 0.0005891300000000, -0.0000943300000000, -0.0001008000000000 ] - [ 0.0000413800000000, 0.0006038700000000, 0.0007267200000000 ] - [ 0.0000281000000000, -0.0009768100000000, 0.0007889900000000 ] - [ -0.0001000400000000, 0.0001004300000000, 0.0003906500000000 ] - [ 0.0001529400000000, -0.0000780100000000, 0.0006951300000000 ] - [ -0.0006889500000000, -0.0015913600000000, 0.0004839700000000 ] - [ 0.0001011000000000, 0.0012623200000000, 0.0010810700000000 ] - [ 0.0002296300000000, -0.0001010700000000, 0.0001307500000000 ] - [ -0.0001024900000000, 0.0000002800000000, 0.0000536300000000 ] - [ 0.0000813100000000, -0.0000040700000000, 0.0006466400000000 ] - [ -0.0002114900000000, -0.0000081900000000, 0.0009754800000000 ] - [ 0.0001494300000000, 0.0002299300000000, -0.0000079400000000 ] - [ -0.0000114000000000, -0.0003430500000000, -0.0001025700000000 ] - [ -0.0007688800000000, -0.0001926300000000, -0.0001647800000000 ] - [ 0.0005577600000000, 0.0003272200000000, 0.0000740200000000 ] - [ 0.0005177600000000, -0.0001642300000000, -0.0002760700000000 ] - [ -0.0008548300000000, 0.0004162700000000, -0.0003090100000000 ] - [ 0.0001054700000000, -0.0004461500000000, -0.0002118700000000 ] - [ -0.0009810500000000, 0.0020279200000000, -0.0023413000000000 ] - [ 0.0003155000000000, -0.0010643600000000, -0.0007563300000000 ] - [ 0.0000923500000000, -0.0002578000000000, 0.0001345300000000 ] - [ 0.0038184700000000, -0.0006712800000000, -0.0027523300000000 ] - [ 0.0002360700000000, 0.0041691800000000, -0.0039264400000000 ] - [ -0.0020034500000000, -0.0010265500000000, -0.0005852700000000 ] - [ -0.0001106600000000, -0.0001021600000000, 0.0003741800000000 ] - [ -0.0006026700000000, 0.0006459400000000, -0.0010079200000000 ] - [ 0.0004482600000000, 0.0007119600000000, -0.0010217900000000 ] - [ -0.0004649400000000, -0.0002850600000000, -0.0004596400000000 ] - [ -0.0002349700000000, -0.0000881300000000, -0.0003587500000000 ] - [ 0.0014627500000000, -0.0003987900000000, -0.0000194400000000 ] - [ -0.0053890200000000, 0.0039083200000000, -0.0032100400000000 ] - [ -0.0010736900000000, -0.0016295900000000, -0.0015298900000000 ] - [ 0.0011561000000000, -0.0003235500000000, -0.0004167800000000 ] - [ 0.0011750400000000, -0.0007123400000000, -0.0008598400000000 ] - [ -0.0013244500000000, 0.0014304100000000, -0.0015679300000000 ] - [ -0.0091882900000000, -0.0014537000000000, 0.0006451400000000 ] - [ -0.0000187200000000, -0.0001342300000000, 0.0007892200000000 ] - [ -0.0006477000000000, -0.0003878600000000, -0.0003034400000000 ] - [ 0.0006002100000000, 0.0009325100000000, -0.0004998700000000 ] - [ 0.0004995500000000, -0.0004460500000000, -0.0005247400000000 ] - [ -0.0002799600000000, -0.0000487700000000, -0.0009722000000000 ] - [ 0.1233258200000000, -0.1099724300000000, 0.2626528400000000 ] - [ 0.0002732300000000, -0.0007425000000000, 0.0003317100000000 ] - [ 0.0001980700000000, 0.0004831800000000, -0.0007193500000000 ] - [ -0.0007761700000000, -0.0004796300000000, -0.0007297800000000 ] - [ -0.0004222700000000, 0.0005754200000000, 0.0000555600000000 ] - [ 0.0018976300000000, 0.0042736300000000, -0.0013123800000000 ] - [ -0.0003056400000000, 0.0001216500000000, 0.0000758400000000 ] - [ -0.0001730000000000, -0.0000787900000000, 0.0000759500000000 ] - [ 0.0037545900000000, 0.0023724800000000, 0.0011961200000000 ] - [ -0.0095140500000000, 0.0088535000000000, -0.0073837000000000 ] - [ -0.0004574800000000, 0.0003919100000000, 0.0004222200000000 ] - [ -0.0002949600000000, -0.0000511000000000, 0.0001536800000000 ] - [ 0.0001034900000000, -0.0000111200000000, -0.0001983000000000 ] - [ 0.0005397600000000, 0.0009830400000000, -0.0011520600000000 ] - [ -0.0004145200000000, 0.0001969200000000, 0.0002307000000000 ] - [ 0.0002550300000000, 0.0000890800000000, -0.0000434000000000 ] - [ -0.0003110900000000, 0.0007022700000000, 0.0003859100000000 ] - [ 0.0017722200000000, -0.0010362800000000, 0.0012119700000000 ] - [ 0.0001892200000000, 0.0003779500000000, -0.0000417600000000 ] - [ -0.0002371400000000, -0.0005608000000000, -0.0002971500000000 ] - [ 0.0005704200000000, 0.0003340600000000, 0.0014384700000000 ] - [ -0.0039678000000000, -0.0025742900000000, 0.0045447400000000 ] - [ -0.0001203900000000, 0.0009382100000000, 0.0015471400000000 ] - [ -0.0003159800000000, 0.0003818800000000, 0.0005873900000000 ] - [ 0.0001804900000000, 0.0016365200000000, -0.0009959600000000 ] - [ 0.0002948700000000, -0.0015087000000000, -0.0015241600000000 ] - [ 0.0000780100000000, 0.0007226200000000, -0.0003853300000000 ] - [ -0.0001478200000000, -0.0006399800000000, -0.0003081200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000300900000000, -0.0016245900000000, -0.0030867700000000 ] - [ -0.0007679000000000, -0.0000513400000000, 0.0004073800000000 ] - [ 0.0002117400000000, 0.0001300900000000, 0.0007938100000000 ] - [ -0.0000644000000000, 0.0001136400000000, -0.0000970400000000 ] - [ 0.0121150400000000, 0.0083173200000000, -0.0090090200000000 ] - [ -0.0008370400000000, -0.0006942100000000, -0.0006826300000000 ] - [ 0.0033438300000000, -0.0005213800000000, -0.0003801400000000 ] - [ -0.0010217200000000, 0.0030193900000000, -0.0032119800000000 ] - [ -0.0022722500000000, -0.0024521700000000, -0.0017730000000000 ] - [ -0.0000852600000000, -0.0007112200000000, 0.0015391300000000 ] - [ -0.0011968200000000, 0.0002581400000000, -0.0005129900000000 ] - [ 0.0007454100000000, 0.0009595800000000, -0.0010140700000000 ] - [ -0.0004160500000000, -0.0012697200000000, -0.0013036900000000 ] - [ 0.0001700900000000, 0.0002305500000000, -0.0009077000000000 ] - [ -0.0010598900000000, 0.0021860100000000, -0.0019326300000000 ] - [ -0.0004534300000000, 0.0001526000000000, 0.0000204700000000 ] - [ -0.0007782900000000, 0.0007164000000000, 0.0006343300000000 ] - [ 0.0037946000000000, 0.0006790800000000, 0.0001295500000000 ] - [ -0.0000228700000000, 0.0005496400000000, 0.0005161200000000 ] - [ -0.0005590100000000, -0.0006302500000000, 0.0003929700000000 ] - [ 0.0027515300000000, -0.0002029900000000, 0.0011548000000000 ] - [ -0.0189234500000000, -0.0005587600000000, 0.0046325700000000 ] - [ -0.0005162000000000, 0.0006093800000000, 0.0009567800000000 ] - [ -0.0002799300000000, 0.0001491700000000, 0.0003885100000000 ] - [ 0.0007494800000000, 0.0020055900000000, -0.0038458800000000 ] - [ 0.0002089300000000, 0.0005623800000000, 0.0000539500000000 ] - [ 0.0001378800000000, -0.0002127800000000, 0.0001545900000000 ] - [ -0.0005112500000000, 0.0002925000000000, 0.0002034300000000 ] - [ 0.1106442500000000, -0.0909902300000000, 0.2446676500000000 ] - [ -0.0000100200000000, 0.0000870700000000, 0.0016031800000000 ] - [ 0.0001125800000000, 0.0003200700000000, -0.0002320900000000 ] - [ -0.0002786700000000, -0.0004704000000000, -0.0003166000000000 ] - [ -0.0130560200000000, -0.0025151000000000, 0.0026744900000000 ] - [ 0.0007291700000000, 0.0001383700000000, 0.0001090200000000 ] - [ 0.0005728800000000, -0.0001168200000000, -0.0002697000000000 ] - [ -0.0012841900000000, 0.0003022400000000, -0.0004119500000000 ] - [ 0.0001354900000000, -0.0005554200000000, -0.0003170600000000 ] - [ -0.0002075800000000, 0.0009390900000000, -0.0003812500000000 ] - [ -0.0000773900000000, -0.0000405300000000, 0.0000271100000000 ] - [ 0.0000226600000000, 0.0000119300000000, -0.0002806300000000 ] - [ 0.0003754300000000, 0.0011124300000000, -0.0002586200000000 ] - [ 0.0002263800000000, -0.0007766300000000, -0.0008644400000000 ] - [ 0.0000939200000000, -0.0004108400000000, 0.0001015600000000 ] - [ -0.0002247900000000, 0.0005141900000000, 0.0001806800000000 ] - [ -0.0003199400000000, 0.0005551800000000, -0.0004888300000000 ] - [ 0.0004527100000000, -0.0005402200000000, -0.0008249900000000 ] - [ 0.0000850200000000, 0.0003168300000000, 0.0001765600000000 ] - [ -0.0002280500000000, -0.0002021300000000, 0.0002718800000000 ] - [ 0.0001046000000000, -0.0000080900000000, -0.0003463300000000 ] - [ 0.0001182400000000, -0.0001289400000000, -0.0005886300000000 ] - [ 0.0001496600000000, -0.0000372300000000, -0.0002335800000000 ] - [ 0.0001850900000000, -0.0002187100000000, -0.0001982200000000 ] - [ 0.0000716200000000, 0.0005134600000000, 0.0006381700000000 ] - [ 0.0008242100000000, -0.0021342500000000, 0.0027971700000000 ] - [ -0.0005045000000000, 0.0011464800000000, 0.0011898400000000 ] - [ 0.0000849100000000, 0.0002091800000000, 0.0002833100000000 ] - [ -0.0036612100000000, 0.0004686400000000, 0.0027656200000000 ] - [ -0.0004909500000000, -0.0040298300000000, 0.0039662400000000 ] - [ 0.0018113500000000, 0.0008281400000000, 0.0005607600000000 ] - [ 0.0003642400000000, 0.0003251500000000, -0.0004177000000000 ] - [ 0.0004067200000000, -0.0003601900000000, 0.0010699300000000 ] - [ -0.0002534600000000, -0.0010308800000000, 0.0010849800000000 ] - [ 0.0006870800000000, 0.0005941300000000, 0.0005130500000000 ] - [ 0.0000447300000000, -0.0002115800000000, 0.0004091700000000 ] - [ -0.0008069100000000, -0.0001404000000000, -0.0004663700000000 ] - [ 0.0048232200000000, -0.0034363900000000, 0.0027981200000000 ] - [ 0.0004141900000000, 0.0011204100000000, 0.0010812100000000 ] - [ -0.0004773300000000, 0.0008683700000000, -0.0000647800000000 ] - [ -0.0011280300000000, 0.0011517800000000, 0.0009393400000000 ] - [ 0.0012853800000000, -0.0018886400000000, 0.0016638100000000 ] - [ 0.0092363000000000, 0.0018958700000000, -0.0005679600000000 ] - [ 0.0000850100000000, -0.0002974700000000, -0.0007348800000000 ] - [ -0.0000731600000000, 0.0002399600000000, 0.0008978100000000 ] - [ 0.0001214600000000, -0.0007982300000000, 0.0010980800000000 ] - [ 0.0002249300000000, 0.0002985100000000, 0.0011218100000000 ] - [ -0.0004472100000000, 0.0002108500000000, 0.0015698400000000 ] - [ -0.1134414600000000, 0.1026267500000000, -0.2492104300000000 ] - [ 0.0000777300000000, -0.0005267100000000, -0.0012870400000000 ] - [ 0.0001635000000000, 0.0007834600000000, -0.0002211200000000 ] - [ 0.0004331500000000, -0.0007869600000000, -0.0002090200000000 ] - [ 0.0006664500000000, -0.0008124000000000, -0.0000957600000000 ] - [ -0.0021760500000000, -0.0041198100000000, 0.0012930600000000 ] - [ 0.0000749900000000, -0.0003478700000000, -0.0001164300000000 ] - [ 0.0004169500000000, 0.0003039200000000, -0.0001169600000000 ] - [ -0.0040396400000000, -0.0021046700000000, -0.0011822100000000 ] - [ 0.0100731900000000, -0.0094632300000000, 0.0076444600000000 ] - [ 0.0006808000000000, -0.0000961400000000, -0.0003871000000000 ] - [ 0.0000951800000000, -0.0002538700000000, -0.0001104300000000 ] - [ 0.0005775700000000, -0.0005394300000000, -0.0002816700000000 ] - [ -0.0012337300000000, -0.0004504200000000, 0.0006892200000000 ] - [ -0.0002577600000000, -0.0007536600000000, -0.0007213200000000 ] - [ 0.0004213100000000, 0.0004573300000000, -0.0004384100000000 ] - [ 0.0003831700000000, -0.0002916100000000, -0.0003276400000000 ] - [ -0.0018671700000000, 0.0006435500000000, -0.0011670100000000 ] - [ -0.0002586300000000, 0.0000373600000000, 0.0001051800000000 ] - [ 0.0003044100000000, 0.0001514600000000, 0.0003641400000000 ] - [ -0.0013116500000000, -0.0004931000000000, -0.0008741900000000 ] - [ 0.0047775100000000, 0.0027827900000000, -0.0040357100000000 ] - [ 0.0008667400000000, -0.0011197600000000, -0.0009888500000000 ] - [ -0.0004124100000000, -0.0002397800000000, -0.0000060200000000 ] - [ -0.0005456400000000, -0.0003969100000000, 0.0000622400000000 ] - [ 0.0000566400000000, 0.0002639600000000, 0.0005973600000000 ] - [ 0.0002835500000000, 0.0005341100000000, -0.0005581400000000 ] - [ -0.0002054100000000, -0.0006196000000000, -0.0006368200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015499300000000, -0.0026900900000000, -0.0028638100000000 ] - [ 0.0019211200000000, 0.0006702600000000, -0.0009742800000000 ] - [ -0.0009745300000000, 0.0009708600000000, 0.0007934700000000 ] - [ 0.0007735900000000, -0.0003117800000000, 0.0002879000000000 ] - [ -0.0049328400000000, -0.0027752900000000, 0.0027088300000000 ] - [ 0.0064838100000000, 0.0042976900000000, 0.0033387500000000 ] - [ -0.0045091100000000, -0.0000663800000000, -0.0003867500000000 ] - [ 0.0006446500000000, -0.0013885400000000, 0.0014398800000000 ] - [ 0.0252693200000000, 0.0262758000000000, 0.0237839700000000 ] - [ 0.0038257400000000, -0.0007274000000000, 0.0004467100000000 ] - [ -0.0040195800000000, -0.0009205100000000, 0.0001351500000000 ] - [ 0.0007136400000000, 0.0012423400000000, -0.0011519000000000 ] - [ 0.0021652900000000, 0.0046140000000000, 0.0048286600000000 ] - [ 0.0044826800000000, -0.0001293700000000, -0.0001587600000000 ] - [ -0.0039265800000000, 0.0033750500000000, -0.0029126400000000 ] - [ 0.0020972700000000, -0.0005650000000000, -0.0010421900000000 ] - [ -0.0029646500000000, 0.0001873000000000, 0.0007354400000000 ] - [ 0.0054306500000000, 0.0016312800000000, -0.0005670300000000 ] - [ 0.0007256700000000, -0.0002865000000000, -0.0001926700000000 ] - [ 0.0016903400000000, 0.0002304500000000, 0.0001943200000000 ] - [ -0.0053158700000000, 0.0016867800000000, -0.0018556100000000 ] - [ 0.0054653800000000, -0.0013966800000000, 0.0011720500000000 ] - [ 0.0023179300000000, -0.0023215100000000, -0.0024423900000000 ] - [ 0.0015415300000000, 0.0003414900000000, 0.0003313800000000 ] - [ 0.0000411700000000, 0.0132005500000000, -0.0041563300000000 ] - [ -0.0001726800000000, 0.0001191600000000, -0.0000726600000000 ] - [ 0.0003543000000000, 0.0000665500000000, 0.0000517500000000 ] - [ 0.0023277200000000, -0.0016381200000000, -0.0001571000000000 ] - [ 0.0034486900000000, -0.0077355700000000, 0.0125617300000000 ] - [ -0.0004280800000000, -0.0007943000000000, 0.0004688000000000 ] - [ 0.0004908400000000, 0.0002896700000000, 0.0003184900000000 ] - [ 0.0004467400000000, 0.0002979200000000, 0.0010125000000000 ] - [ -0.2293410600000000, 0.0064053900000000, 0.0183527900000000 ] - [ 0.0009077900000000, -0.0002305700000000, -0.0002172200000000 ] - [ 0.0004546600000000, -0.0002012800000000, -0.0002148300000000 ] - [ 0.0010349800000000, 0.0000394100000000, -0.0002473700000000 ] - [ -0.0002132100000000, -0.0002862500000000, 0.0003380000000000 ] - [ -0.0000074200000000, -0.0000075600000000, 0.0001682600000000 ] - [ 0.0000762900000000, 0.0008390900000000, 0.0006323700000000 ] - [ 0.0003885000000000, 0.0001461300000000, 0.0001056400000000 ] - [ -0.0004233600000000, -0.0006779500000000, 0.0002277000000000 ] - [ -0.0002759500000000, 0.0001061400000000, 0.0002261200000000 ] - [ 0.0005295400000000, -0.0005763800000000, 0.0001469700000000 ] - [ -0.0000682500000000, 0.0002782800000000, 0.0000685100000000 ] - [ -0.0003895200000000, 0.0005391300000000, -0.0003488200000000 ] - [ -0.0002788900000000, 0.0000138800000000, -0.0001338500000000 ] - [ 0.0004259200000000, 0.0003466200000000, -0.0000992100000000 ] - [ 0.0004823700000000, -0.0009127100000000, -0.0004323700000000 ] - [ -0.0015230300000000, -0.0000818800000000, -0.0002238200000000 ] - [ 0.0006752300000000, 0.0002289100000000, -0.0002566800000000 ] - [ 0.0003497700000000, -0.0000369800000000, -0.0002564400000000 ] - [ 0.0042678000000000, -0.0002645000000000, -0.0004653000000000 ] - [ -0.0002522300000000, 0.0007768600000000, 0.0005419500000000 ] - [ 0.0017363700000000, 0.0001131700000000, 0.0007570400000000 ] - [ -0.0015969500000000, -0.0140317600000000, -0.0074721100000000 ] - [ 0.0002443100000000, 0.0000061800000000, 0.0002043100000000 ] - [ 0.0033603500000000, -0.0001258300000000, -0.0007969500000000 ] - [ 0.0002686400000000, 0.0013979800000000, -0.0009241300000000 ] - [ -0.0141741300000000, -0.0068575900000000, -0.0060472200000000 ] - [ -0.0038487100000000, -0.0016664500000000, 0.0002427100000000 ] - [ 0.0028100800000000, -0.0004486800000000, 0.0010380000000000 ] - [ 0.0002478700000000, -0.0012398500000000, 0.0012455200000000 ] - [ -0.0020679200000000, -0.0016273600000000, -0.0017325200000000 ] - [ -0.0045908400000000, -0.0001730200000000, -0.0016354700000000 ] - [ 0.0022254000000000, -0.0009407300000000, 0.0013230900000000 ] - [ -0.0019739600000000, 0.0019532100000000, -0.0015747800000000 ] - [ 0.0008313400000000, -0.0118944100000000, -0.0117276500000000 ] - [ -0.0020229100000000, 0.0010613700000000, 0.0000638100000000 ] - [ 0.0011097200000000, 0.0001767300000000, -0.0004076900000000 ] - [ -0.0010963800000000, 0.0002983800000000, -0.0003923500000000 ] - [ 0.2323348000000000, -0.0074433700000000, -0.0259105200000000 ] - [ -0.0013089000000000, -0.0002827100000000, 0.0004710400000000 ] - [ 0.0008248500000000, 0.0010201600000000, 0.0003042700000000 ] - [ -0.0002410900000000, -0.0003631300000000, 0.0008101000000000 ] - [ 0.0016218900000000, -0.0023453000000000, -0.0021661700000000 ] - [ -0.0022470500000000, 0.0007375800000000, 0.0002994700000000 ] - [ -0.0208542800000000, -0.0030825600000000, -0.0006135700000000 ] - [ 0.0004798500000000, 0.0001586800000000, -0.0004818100000000 ] - [ -0.0003262200000000, 0.0007885600000000, -0.0005602000000000 ] - [ -0.0012332000000000, -0.0009784900000000, -0.0009150600000000 ] - [ 0.0025494400000000, -0.0010003700000000, -0.0002390700000000 ] - [ -0.0021423000000000, -0.0070425200000000, 0.0024266500000000 ] - [ -0.0007318800000000, 0.0000173000000000, 0.0001890700000000 ] - [ -0.0014038400000000, 0.0000500300000000, 0.0002848300000000 ] - [ 0.0037786000000000, 0.0011034500000000, -0.0001797300000000 ] - [ -0.0023636800000000, 0.0042026600000000, -0.0066300900000000 ] - [ -0.0013431600000000, 0.0011500100000000, 0.0009855700000000 ] - [ -0.0016357200000000, 0.0000266900000000, -0.0000511100000000 ] - [ 0.0016069200000000, 0.0000457900000000, -0.0005575700000000 ] - [ -0.0019356500000000, -0.0010185400000000, 0.0013208100000000 ] - [ -0.0003369900000000, 0.0011011800000000, 0.0012347900000000 ] - [ -0.0004280300000000, -0.0000184300000000, -0.0003901400000000 ] - [ 0.0008950200000000, -0.0004615000000000, -0.0005207200000000 ] - [ -0.0046636100000000, -0.0006571900000000, -0.0003402300000000 ] - [ 0.0005403500000000, -0.0000740000000000, 0.0000409400000000 ] - [ -0.0008077100000000, -0.0007016300000000, 0.0003621500000000 ] - [ 0.0009985900000000, -0.0014792900000000, 0.0015543300000000 ] - [ -0.0020879700000000, 0.0001384100000000, 0.0000369900000000 ] - [ 0.0021811300000000, 0.0069981700000000, 0.0047990800000000 ] - [ -0.0009873900000000, -0.0000089900000000, -0.0001351600000000 ] - [ 0.0006776500000000, 0.0006850400000000, -0.0003487000000000 ] - [ 0.0005369100000000, -0.0008546100000000, -0.0004620600000000 ] - [ -0.0001177900000000, 0.0003880700000000, -0.0003760800000000 ] - [ -0.0039759800000000, 0.0010056100000000, 0.0000062200000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015791600000000, 0.0027339800000000, 0.0030548600000000 ] - [ -0.0019550500000000, -0.0006831700000000, 0.0011363800000000 ] - [ 0.0009932600000000, -0.0009854000000000, -0.0006622000000000 ] - [ -0.0007871200000000, 0.0003173400000000, -0.0001484800000000 ] - [ 0.0050331000000000, 0.0028254100000000, -0.0033936900000000 ] - [ -0.0065944200000000, -0.0043824200000000, -0.0040471700000000 ] - [ 0.0041800700000000, 0.0003873400000000, 0.0010407900000000 ] - [ -0.0002524500000000, 0.0010933100000000, -0.0008276700000000 ] - [ -0.0247687700000000, -0.0264147800000000, -0.0236359200000000 ] - [ -0.0042940500000000, 0.0004203200000000, 0.0001837600000000 ] - [ 0.0037538800000000, 0.0007325800000000, -0.0000718000000000 ] - [ -0.0003956800000000, -0.0010610400000000, 0.0012427000000000 ] - [ -0.0018487500000000, -0.0048772800000000, -0.0048211300000000 ] - [ -0.0048904100000000, 0.0003354000000000, 0.0002308800000000 ] - [ 0.0040044500000000, -0.0034362400000000, 0.0023293000000000 ] - [ -0.0021350900000000, 0.0005759700000000, 0.0004233300000000 ] - [ 0.0026128600000000, 0.0001334200000000, -0.0001098200000000 ] - [ -0.0051314200000000, -0.0019808300000000, 0.0012164200000000 ] - [ -0.0003360800000000, 0.0006152600000000, 0.0008377300000000 ] - [ -0.0021221600000000, -0.0005566000000000, 0.0004421600000000 ] - [ 0.0050636800000000, -0.0019304000000000, 0.0019594300000000 ] - [ -0.0052368600000000, 0.0016249400000000, -0.0011217800000000 ] - [ -0.0020261800000000, 0.0021611500000000, 0.0025566400000000 ] - [ -0.0018991100000000, -0.0001429800000000, -0.0002684700000000 ] - [ -0.0003711200000000, -0.0140208200000000, 0.0044806100000000 ] - [ 0.0005032500000000, 0.0003911300000000, 0.0003081500000000 ] - [ -0.0000324000000000, -0.0005789500000000, 0.0001813900000000 ] - [ -0.0027011000000000, 0.0021807500000000, 0.0003919900000000 ] - [ -0.0037964100000000, 0.0084556500000000, -0.0126697000000000 ] - [ 0.0006739300000000, 0.0002562200000000, -0.0003082400000000 ] - [ -0.0002620000000000, 0.0002545800000000, -0.0001543500000000 ] - [ -0.0006910700000000, -0.0008517600000000, -0.0008592000000000 ] - [ 0.2068947600000000, -0.0061491900000000, -0.0161340500000000 ] - [ -0.0002429700000000, 0.0004395300000000, -0.0002932200000000 ] - [ 0.0002164200000000, -0.0000004300000000, -0.0002947200000000 ] - [ -0.0017321900000000, 0.0001648500000000, -0.0002626100000000 ] - [ 0.0003946600000000, 0.0003504100000000, 0.0000801900000000 ] - [ -0.0001711400000000, -0.0000517300000000, 0.0002520600000000 ] - [ -0.0002550300000000, -0.0007879800000000, -0.0002171100000000 ] - [ -0.0002167500000000, -0.0002100700000000, 0.0003164000000000 ] - [ 0.0001025700000000, 0.0001784900000000, 0.0000029600000000 ] - [ 0.0006091200000000, 0.0004033000000000, 0.0000051100000000 ] - [ -0.0002107000000000, 0.0000733000000000, 0.0000853000000000 ] - [ -0.0002590400000000, 0.0002300800000000, 0.0001650600000000 ] - [ 0.0001589200000000, 0.0000014500000000, 0.0005245000000000 ] - [ 0.0005208500000000, -0.0005636800000000, 0.0003054200000000 ] - [ -0.0001958900000000, 0.0001977000000000, 0.0002695000000000 ] - [ -0.0007297700000000, 0.0003794700000000, 0.0006084400000000 ] - [ 0.0008683800000000, -0.0001209600000000, -0.0002860800000000 ] - [ -0.0000060600000000, -0.0000282700000000, -0.0002529000000000 ] - [ 0.0003234000000000, -0.0001665900000000, -0.0002535000000000 ] - [ -0.0050282500000000, 0.0004739000000000, -0.0000403500000000 ] - [ 0.0004341500000000, -0.0007288000000000, -0.0001274700000000 ] - [ -0.0019442900000000, -0.0001756100000000, -0.0003460200000000 ] - [ 0.0014379300000000, 0.0143018900000000, 0.0079921200000000 ] - [ -0.0000700400000000, -0.0000653400000000, 0.0002150100000000 ] - [ -0.0031799900000000, -0.0000910500000000, 0.0007703300000000 ] - [ -0.0005155000000000, -0.0012024000000000, 0.0009027100000000 ] - [ 0.0141851300000000, 0.0068024500000000, 0.0061550700000000 ] - [ 0.0041547100000000, 0.0019186900000000, -0.0002842600000000 ] - [ -0.0030670300000000, 0.0007586400000000, -0.0010109700000000 ] - [ -0.0000464100000000, 0.0009584400000000, -0.0012242900000000 ] - [ 0.0022963200000000, 0.0019604100000000, 0.0018094300000000 ] - [ 0.0044636700000000, -0.0001271700000000, 0.0017106000000000 ] - [ -0.0015794200000000, 0.0004095200000000, -0.0018293100000000 ] - [ 0.0013271400000000, -0.0014406300000000, 0.0011216900000000 ] - [ -0.0015645800000000, 0.0114508100000000, 0.0113571200000000 ] - [ 0.0027401200000000, -0.0005322600000000, -0.0005469600000000 ] - [ -0.0010622700000000, 0.0002464900000000, 0.0004757000000000 ] - [ 0.0010503300000000, -0.0007301600000000, 0.0004644200000000 ] - [ -0.2112921800000000, 0.0074885100000000, 0.0235932800000000 ] - [ 0.0013948500000000, -0.0001394800000000, -0.0004138500000000 ] - [ -0.0015708000000000, -0.0011900500000000, 0.0002773700000000 ] - [ 0.0009777400000000, 0.0005242000000000, -0.0002375700000000 ] - [ -0.0009155400000000, 0.0022178800000000, 0.0027781400000000 ] - [ 0.0015527700000000, -0.0005946200000000, 0.0002818200000000 ] - [ 0.0210018900000000, 0.0044696500000000, -0.0003711200000000 ] - [ -0.0001287900000000, -0.0014345000000000, -0.0004592400000000 ] - [ 0.0006921500000000, 0.0004719700000000, -0.0003813300000000 ] - [ 0.0008940500000000, -0.0002793900000000, -0.0000202200000000 ] - [ -0.0023557700000000, 0.0007957000000000, 0.0002055400000000 ] - [ 0.0019460700000000, 0.0074077200000000, -0.0025129700000000 ] - [ 0.0005051800000000, -0.0002409000000000, -0.0002314600000000 ] - [ 0.0016671000000000, 0.0001716800000000, -0.0003287900000000 ] - [ -0.0040522300000000, -0.0008138700000000, 0.0002222000000000 ] - [ 0.0026174300000000, -0.0045906600000000, 0.0068079600000000 ] - [ 0.0015758600000000, -0.0008668200000000, -0.0009596000000000 ] - [ 0.0014572500000000, -0.0003321800000000, 0.0000968000000000 ] - [ -0.0009519700000000, -0.0005952000000000, 0.0000858700000000 ] - [ 0.0012889600000000, 0.0015868200000000, -0.0018279100000000 ] - [ -0.0003392300000000, -0.0016705400000000, -0.0017402500000000 ] - [ 0.0011173100000000, 0.0005678700000000, -0.0000852200000000 ] - [ -0.0008455600000000, 0.0008921700000000, 0.0005945600000000 ] - [ 0.0046866300000000, 0.0002444700000000, 0.0004106700000000 ] - [ -0.0006143500000000, 0.0004956200000000, 0.0000199900000000 ] - [ 0.0008849800000000, 0.0002900900000000, -0.0003044800000000 ] - [ -0.0017443600000000, 0.0013473700000000, -0.0009899800000000 ] - [ 0.0028582000000000, 0.0000155000000000, 0.0005489200000000 ] - [ -0.0014837800000000, -0.0072739600000000, -0.0042894000000000 ] - [ 0.0002715000000000, 0.0001634700000000, 0.0007258700000000 ] - [ -0.0010482100000000, 0.0005750200000000, -0.0005956700000000 ] - [ -0.0001871400000000, -0.0004030700000000, -0.0004809000000000 ] - [ 0.0004795900000000, 0.0008767500000000, -0.0005667800000000 ] - [ 0.0036892000000000, -0.0022967700000000, -0.0009544700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009150800000000, 0.0000072600000000, 0.0007667700000000 ] - [ 0.0001378800000000, -0.0000697300000000, 0.0001133900000000 ] - [ 0.0003085800000000, 0.0004128100000000, 0.0003088400000000 ] - [ -0.0000661400000000, 0.0000200300000000, 0.0001026700000000 ] - [ -0.0011474600000000, -0.0006301400000000, -0.0009398000000000 ] - [ 0.0006101000000000, -0.0010167900000000, -0.0003643500000000 ] - [ -0.0004185300000000, -0.0005455100000000, -0.0001985500000000 ] - [ -0.0000854200000000, -0.0001396800000000, 0.0003373300000000 ] - [ 0.0201907500000000, 0.0011466800000000, -0.0006731500000000 ] - [ -0.0000357100000000, -0.0002374800000000, 0.0003733100000000 ] - [ -0.0008972300000000, 0.0004448500000000, -0.0005656000000000 ] - [ 0.0003484900000000, 0.0002428600000000, -0.0000939200000000 ] - [ 0.0010231000000000, 0.0016958400000000, 0.0012907000000000 ] - [ -0.0000920800000000, -0.0000016900000000, 0.0001118900000000 ] - [ 0.0005466200000000, 0.0008386700000000, -0.0003473300000000 ] - [ -0.0002965700000000, 0.0002416000000000, -0.0001065800000000 ] - [ -0.0003692200000000, 0.0010301100000000, 0.0005712100000000 ] - [ 0.0008374600000000, -0.0002872300000000, 0.0004146100000000 ] - [ -0.0000160900000000, 0.0007319500000000, 0.0007706300000000 ] - [ -0.0002014100000000, -0.0001875400000000, 0.0003282100000000 ] - [ 0.0006718400000000, 0.0006516400000000, -0.0013176700000000 ] - [ 0.0001192700000000, -0.0000734000000000, 0.0002241300000000 ] - [ -0.0014247200000000, 0.0008939800000000, 0.0013160100000000 ] - [ -0.0001680800000000, 0.0001869000000000, -0.0000252900000000 ] - [ 0.0090470900000000, -0.0014998600000000, -0.0001395600000000 ] - [ 0.0002995400000000, 0.0006718300000000, 0.0002139800000000 ] - [ 0.0001875900000000, -0.0001558900000000, 0.0000951200000000 ] - [ 0.0003012900000000, 0.0003005100000000, 0.0001960500000000 ] - [ -0.0030399300000000, -0.0005590900000000, 0.0024985500000000 ] - [ -0.0001867600000000, 0.0001304400000000, 0.0001169800000000 ] - [ 0.0001478100000000, 0.0002419800000000, 0.0000983100000000 ] - [ 0.0000018800000000, -0.0001486200000000, 0.0002817900000000 ] - [ 0.0070428500000000, -0.0588312100000000, -0.0097628700000000 ] - [ -0.0000015100000000, 0.0000860400000000, -0.0002632300000000 ] - [ 0.0004376300000000, -0.0001991700000000, -0.0002401700000000 ] - [ -0.0002735600000000, 0.0001063200000000, -0.0002561500000000 ] - [ 0.0000832000000000, -0.0003653500000000, -0.0000289300000000 ] - [ -0.0000943100000000, 0.0001068300000000, 0.0001488000000000 ] - [ 0.0000023000000000, 0.0004962300000000, 0.0004360300000000 ] - [ 0.0001070000000000, -0.0001342600000000, 0.0002494100000000 ] - [ -0.0001810200000000, -0.0001032000000000, 0.0000678500000000 ] - [ 0.0000875300000000, -0.0000517200000000, 0.0001107300000000 ] - [ 0.0001724700000000, -0.0003713300000000, 0.0001447100000000 ] - [ -0.0001978300000000, 0.0004288400000000, 0.0001411900000000 ] - [ -0.0001502800000000, 0.0003776400000000, -0.0000083900000000 ] - [ 0.0002193000000000, -0.0003693900000000, -0.0001431900000000 ] - [ 0.0001419500000000, 0.0003385900000000, 0.0000203200000000 ] - [ -0.0001352600000000, -0.0005823400000000, -0.0002312800000000 ] - [ -0.0003186400000000, 0.0000123000000000, -0.0002511100000000 ] - [ 0.0004649200000000, 0.0000935800000000, -0.0002539400000000 ] - [ 0.0002745000000000, 0.0000050900000000, -0.0002537300000000 ] - [ 0.0000323400000000, 0.0000920600000000, -0.0002801800000000 ] - [ 0.0000548500000000, 0.0007008800000000, 0.0004323000000000 ] - [ 0.0000154000000000, -0.0000970400000000, 0.0003010500000000 ] - [ -0.0085966400000000, 0.0013919700000000, 0.0026993400000000 ] - [ 0.0000807900000000, 0.0001201700000000, 0.0001440000000000 ] - [ 0.0003527300000000, 0.0002815200000000, 0.0001437100000000 ] - [ 0.0002614200000000, 0.0000887500000000, 0.0000810200000000 ] - [ 0.0011085500000000, 0.0004253100000000, 0.0028607900000000 ] - [ -0.0001447900000000, 0.0000273600000000, 0.0000143100000000 ] - [ -0.0001195500000000, -0.0004120000000000, 0.0004012700000000 ] - [ -0.0001518100000000, -0.0003885000000000, 0.0001363700000000 ] - [ -0.0010334900000000, -0.0001566700000000, -0.0001660700000000 ] - [ -0.0000116400000000, 0.0000285800000000, 0.0002000700000000 ] - [ 0.0002633200000000, 0.0000621000000000, 0.0003293600000000 ] - [ -0.0002999200000000, 0.0003681400000000, -0.0003130500000000 ] - [ -0.0020038400000000, -0.0006773300000000, -0.0026788900000000 ] - [ 0.0003100800000000, 0.0004043700000000, -0.0002544400000000 ] - [ -0.0000644900000000, 0.0007623200000000, 0.0001677800000000 ] - [ 0.0000183300000000, -0.0003199200000000, 0.0000777200000000 ] - [ -0.0201020400000000, 0.0374052100000000, 0.0096758700000000 ] - [ 0.0001827400000000, -0.0002658700000000, 0.0000556500000000 ] - [ -0.0001365300000000, 0.0001006100000000, 0.0006020500000000 ] - [ 0.0002787800000000, -0.0000777000000000, 0.0003947800000000 ] - [ 0.0004004400000000, -0.0008507600000000, -0.0003348200000000 ] - [ -0.0003702100000000, 0.0002265200000000, 0.0002628800000000 ] - [ -0.0068247700000000, 0.0206372700000000, -0.0045885900000000 ] - [ 0.0005034100000000, -0.0011644100000000, -0.0005662900000000 ] - [ 0.0001104600000000, 0.0007542500000000, -0.0004860400000000 ] - [ -0.0002727200000000, -0.0008069700000000, -0.0005891700000000 ] - [ 0.0001023900000000, -0.0006542400000000, -0.0000848000000000 ] - [ -0.0008213900000000, 0.0004104200000000, -0.0000933300000000 ] - [ 0.0000319600000000, -0.0003233400000000, -0.0001410600000000 ] - [ 0.0002001500000000, 0.0001682300000000, -0.0000979300000000 ] - [ 0.0002230100000000, -0.0001400200000000, 0.0008940700000000 ] - [ 0.0004358000000000, 0.0004210400000000, -0.0005796000000000 ] - [ 0.0011375800000000, 0.0000030700000000, -0.0002666800000000 ] - [ -0.0000013000000000, -0.0002697600000000, 0.0000697200000000 ] - [ 0.0004396200000000, -0.0007097100000000, -0.0003138100000000 ] - [ -0.0005523600000000, 0.0001696300000000, -0.0001417300000000 ] - [ -0.0001140600000000, -0.0010992900000000, -0.0009987000000000 ] - [ 0.0002882000000000, 0.0002360500000000, -0.0002381900000000 ] - [ 0.0002210500000000, -0.0004612600000000, -0.0001951200000000 ] - [ -0.0004377200000000, -0.0000802600000000, -0.0000650600000000 ] - [ -0.0001324900000000, -0.0003493700000000, -0.0002214000000000 ] - [ -0.0000344900000000, -0.0001420700000000, 0.0000165100000000 ] - [ -0.0006757600000000, -0.0006655600000000, 0.0004970400000000 ] - [ 0.0003352200000000, 0.0002025700000000, 0.0001474000000000 ] - [ 0.0033001600000000, -0.0007831700000000, -0.0010007000000000 ] - [ -0.0003661900000000, -0.0000890700000000, 0.0003535500000000 ] - [ -0.0001524300000000, 0.0004200500000000, -0.0004241400000000 ] - [ 0.0000837800000000, -0.0004101300000000, -0.0004029100000000 ] - [ 0.0001751400000000, 0.0004926900000000, -0.0004399800000000 ] - [ -0.0006271900000000, -0.0003874700000000, -0.0003806600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009099800000000, -0.0000153100000000, -0.0006191100000000 ] - [ -0.0001383800000000, 0.0000646700000000, 0.0000330700000000 ] - [ -0.0003154300000000, -0.0004137900000000, -0.0001682300000000 ] - [ 0.0000683100000000, -0.0000190000000000, 0.0000403900000000 ] - [ 0.0011345000000000, 0.0006154000000000, 0.0003052300000000 ] - [ -0.0006099100000000, 0.0010093800000000, -0.0002808400000000 ] - [ 0.0000161400000000, 0.0008613900000000, 0.0008358300000000 ] - [ 0.0004819700000000, -0.0001815800000000, 0.0002986200000000 ] - [ -0.0196933100000000, -0.0010682900000000, 0.0013685000000000 ] - [ -0.0003660600000000, -0.0000844800000000, 0.0002627400000000 ] - [ 0.0005717000000000, -0.0006454200000000, 0.0006450200000000 ] - [ -0.0000246500000000, -0.0000391600000000, 0.0001619600000000 ] - [ -0.0006916900000000, -0.0018831600000000, -0.0012146300000000 ] - [ -0.0002355800000000, 0.0002024200000000, -0.0000440300000000 ] - [ -0.0005577400000000, -0.0008392200000000, -0.0002832600000000 ] - [ 0.0003051400000000, -0.0002433700000000, -0.0005301800000000 ] - [ -0.0000313900000000, -0.0007175300000000, 0.0000649500000000 ] - [ -0.0004450800000000, -0.0000209300000000, 0.0002134200000000 ] - [ 0.0004217500000000, -0.0004184600000000, -0.0001437800000000 ] - [ -0.0001947500000000, -0.0001292300000000, 0.0003050500000000 ] - [ -0.0009930400000000, -0.0008629300000000, 0.0013655300000000 ] - [ 0.0002131000000000, 0.0002706300000000, -0.0001505900000000 ] - [ 0.0017858200000000, -0.0011167800000000, -0.0012735600000000 ] - [ -0.0001573800000000, 0.0000168400000000, 0.0000937300000000 ] - [ -0.0094414400000000, 0.0009966700000000, 0.0004039100000000 ] - [ 0.0000255000000000, -0.0001641200000000, 0.0000184900000000 ] - [ 0.0001386500000000, -0.0003541800000000, 0.0001378800000000 ] - [ -0.0006359300000000, 0.0002138900000000, 0.0000334700000000 ] - [ 0.0028140100000000, 0.0010489000000000, -0.0023443000000000 ] - [ 0.0004189100000000, -0.0006726200000000, 0.0000486300000000 ] - [ 0.0000879700000000, 0.0003034500000000, 0.0000681100000000 ] - [ -0.0002373500000000, -0.0003972600000000, -0.0001144700000000 ] - [ -0.0054837200000000, 0.0584594400000000, 0.0090128400000000 ] - [ 0.0006689300000000, 0.0001159500000000, -0.0002469500000000 ] - [ 0.0002366800000000, -0.0000036300000000, -0.0002693900000000 ] - [ -0.0003989600000000, 0.0000961800000000, -0.0002537400000000 ] - [ 0.0000933900000000, 0.0004279700000000, 0.0004485900000000 ] - [ -0.0000829800000000, -0.0001666900000000, 0.0002711100000000 ] - [ -0.0001796000000000, -0.0004391500000000, -0.0000168000000000 ] - [ 0.0000704500000000, 0.0000764000000000, 0.0001693100000000 ] - [ -0.0001451100000000, -0.0004057500000000, 0.0001644400000000 ] - [ 0.0002374600000000, 0.0005603500000000, 0.0001219200000000 ] - [ 0.0001527700000000, -0.0001352000000000, 0.0000874500000000 ] - [ -0.0001265700000000, 0.0000773700000000, 0.0000905500000000 ] - [ -0.0000857700000000, 0.0001678100000000, 0.0001760000000000 ] - [ 0.0000142700000000, -0.0001734800000000, 0.0003127100000000 ] - [ 0.0000941300000000, 0.0002068600000000, 0.0001472300000000 ] - [ -0.0000973200000000, 0.0000431500000000, 0.0004034600000000 ] - [ -0.0003577000000000, -0.0002158000000000, -0.0002590200000000 ] - [ 0.0002080700000000, 0.0001096600000000, -0.0002558600000000 ] - [ 0.0004037900000000, -0.0002086200000000, -0.0002555800000000 ] - [ -0.0007060600000000, 0.0001102200000000, -0.0002295000000000 ] - [ 0.0001225200000000, -0.0006396000000000, -0.0000122500000000 ] - [ -0.0001889200000000, 0.0000392600000000, 0.0001198300000000 ] - [ 0.0084843100000000, -0.0013990800000000, -0.0023939900000000 ] - [ 0.0000961500000000, -0.0001799800000000, 0.0002758700000000 ] - [ -0.0001133000000000, -0.0004975100000000, -0.0001827300000000 ] - [ -0.0004946200000000, 0.0001338400000000, -0.0001197500000000 ] - [ -0.0012839900000000, -0.0005822100000000, -0.0028520200000000 ] - [ 0.0003871100000000, 0.0001994500000000, -0.0000532000000000 ] - [ -0.0000819300000000, 0.0007137500000000, -0.0003623900000000 ] - [ 0.0003615200000000, 0.0000875200000000, -0.0000926700000000 ] - [ 0.0012300700000000, 0.0004569400000000, 0.0002137800000000 ] - [ -0.0001908100000000, -0.0003286700000000, -0.0001522900000000 ] - [ 0.0004103700000000, -0.0005957000000000, -0.0008057700000000 ] - [ -0.0003771700000000, 0.0001792300000000, -0.0001683600000000 ] - [ 0.0013317200000000, 0.0002025600000000, 0.0022284100000000 ] - [ 0.0003653400000000, 0.0001414000000000, -0.0002234900000000 ] - [ 0.0001306500000000, -0.0003418700000000, -0.0001034700000000 ] - [ -0.0000840900000000, -0.0001008400000000, -0.0000140300000000 ] - [ 0.0176678100000000, -0.0366180300000000, -0.0094522400000000 ] - [ -0.0001128300000000, -0.0001537900000000, 0.0000077900000000 ] - [ -0.0005926400000000, -0.0002582600000000, -0.0000207000000000 ] - [ 0.0004485800000000, 0.0002311100000000, 0.0001885000000000 ] - [ 0.0003262900000000, 0.0006992800000000, 0.0009199000000000 ] - [ -0.0003580500000000, -0.0000728300000000, 0.0003221600000000 ] - [ 0.0064441600000000, -0.0193747600000000, 0.0036508900000000 ] - [ -0.0001404700000000, -0.0001001900000000, -0.0003770700000000 ] - [ 0.0002466000000000, 0.0005069500000000, -0.0004574800000000 ] - [ -0.0000854700000000, -0.0004540800000000, -0.0003537900000000 ] - [ 0.0001387800000000, 0.0004346700000000, 0.0000438100000000 ] - [ 0.0005958300000000, -0.0001976200000000, 0.0000564700000000 ] - [ -0.0002740100000000, 0.0001045900000000, 0.0001045500000000 ] - [ 0.0000325600000000, 0.0000496900000000, 0.0000613500000000 ] - [ -0.0004237600000000, 0.0004434800000000, -0.0008380900000000 ] - [ -0.0002320100000000, -0.0007091800000000, 0.0006125500000000 ] - [ -0.0009535300000000, 0.0002998400000000, 0.0003160200000000 ] - [ -0.0002077200000000, -0.0000307500000000, -0.0000255700000000 ] - [ 0.0002368100000000, 0.0001679300000000, -0.0001686100000000 ] - [ -0.0001214600000000, 0.0003716800000000, -0.0003342600000000 ] - [ -0.0005669900000000, 0.0005692900000000, 0.0005349100000000 ] - [ 0.0003876600000000, 0.0003061800000000, -0.0002392400000000 ] - [ -0.0001581000000000, 0.0008833300000000, 0.0002581600000000 ] - [ 0.0003719600000000, -0.0003463100000000, 0.0001308600000000 ] - [ 0.0000683800000000, 0.0007734000000000, 0.0002877400000000 ] - [ 0.0000986800000000, -0.0002807500000000, 0.0000482800000000 ] - [ -0.0000535100000000, 0.0005095500000000, 0.0000943100000000 ] - [ 0.0003908800000000, -0.0000479800000000, 0.0004334600000000 ] - [ -0.0025821100000000, 0.0006663900000000, 0.0016341700000000 ] - [ -0.0003607800000000, 0.0002420500000000, 0.0002299700000000 ] - [ -0.0002022900000000, 0.0008423900000000, -0.0005185900000000 ] - [ 0.0002754400000000, -0.0008539500000000, -0.0005412000000000 ] - [ 0.0001789700000000, 0.0007697800000000, -0.0005038300000000 ] - [ 0.0002709400000000, -0.0008814600000000, -0.0005629900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009767500000000, 0.0009024800000000, 0.0008906800000000 ] - [ -0.0000606500000000, 0.0001095900000000, 0.0000339100000000 ] - [ 0.0002466200000000, 0.0002050200000000, 0.0000926500000000 ] - [ 0.0000344000000000, -0.0000030700000000, 0.0000559600000000 ] - [ 0.0011927300000000, -0.0001363900000000, 0.0003270000000000 ] - [ 0.0000449100000000, -0.0003379800000000, -0.0016579500000000 ] - [ -0.0003959900000000, 0.0005192000000000, 0.0019375400000000 ] - [ 0.0003313300000000, -0.0001869100000000, 0.0003863000000000 ] - [ 0.0190627100000000, -0.0011396400000000, -0.0020750600000000 ] - [ -0.0004688100000000, -0.0000391900000000, 0.0002375400000000 ] - [ 0.0005064100000000, -0.0008978700000000, 0.0001648900000000 ] - [ 0.0000100500000000, 0.0000574400000000, 0.0001144100000000 ] - [ 0.0008640900000000, 0.0009134600000000, 0.0015384700000000 ] - [ -0.0003412500000000, 0.0001287800000000, -0.0000021500000000 ] - [ -0.0003124900000000, -0.0005731600000000, -0.0006155600000000 ] - [ -0.0002600100000000, 0.0001475600000000, -0.0001083600000000 ] - [ -0.0000726200000000, -0.0000065400000000, -0.0001361600000000 ] - [ -0.0001680900000000, -0.0001621900000000, 0.0003051700000000 ] - [ 0.0000667600000000, 0.0003913600000000, 0.0007339800000000 ] - [ -0.0002935500000000, -0.0002064300000000, 0.0003720300000000 ] - [ -0.0008458400000000, -0.0015986200000000, 0.0005125800000000 ] - [ 0.0003296300000000, 0.0002153700000000, -0.0001289100000000 ] - [ -0.0009115700000000, 0.0006010200000000, 0.0011228300000000 ] - [ -0.0002574300000000, 0.0000831500000000, 0.0000114200000000 ] - [ -0.0012862300000000, 0.0001345600000000, 0.0007181600000000 ] - [ 0.0001438400000000, 0.0002136300000000, 0.0000922000000000 ] - [ 0.0001695300000000, -0.0002715400000000, 0.0000942800000000 ] - [ -0.0003640300000000, 0.0004899600000000, 0.0003665600000000 ] - [ 0.0080922900000000, 0.0020415400000000, -0.0028429000000000 ] - [ 0.0002939500000000, -0.0004581900000000, -0.0002750000000000 ] - [ 0.0001255200000000, 0.0002581700000000, 0.0000975100000000 ] - [ -0.0000609400000000, -0.0002027800000000, 0.0002394900000000 ] - [ 0.0178439400000000, -0.0094990000000000, -0.0549627600000000 ] - [ 0.0002985600000000, 0.0001095800000000, -0.0002868600000000 ] - [ 0.0003010200000000, -0.0000872800000000, -0.0001990900000000 ] - [ -0.0003291500000000, 0.0001027600000000, -0.0002518100000000 ] - [ 0.0001445200000000, 0.0001599100000000, 0.0006094400000000 ] - [ -0.0000899200000000, -0.0000675600000000, 0.0002467200000000 ] - [ -0.0000483000000000, 0.0002676200000000, 0.0003666800000000 ] - [ 0.0000816100000000, -0.0000752600000000, 0.0002562100000000 ] - [ -0.0001635000000000, -0.0002946700000000, 0.0001825200000000 ] - [ 0.0002786400000000, 0.0004063600000000, 0.0003827600000000 ] - [ 0.0001644900000000, -0.0002725800000000, 0.0001318100000000 ] - [ -0.0001877500000000, 0.0002992900000000, 0.0001426000000000 ] - [ -0.0001064400000000, 0.0002262000000000, 0.0001739200000000 ] - [ -0.0000284900000000, -0.0002411000000000, 0.0004146900000000 ] - [ 0.0001000100000000, 0.0002854500000000, 0.0000625900000000 ] - [ -0.0001565300000000, -0.0004077600000000, 0.0000309700000000 ] - [ -0.0003060600000000, -0.0000973400000000, -0.0001912200000000 ] - [ 0.0003366000000000, 0.0001002600000000, -0.0002278600000000 ] - [ 0.0003387700000000, -0.0001003800000000, -0.0003035500000000 ] - [ -0.0005508900000000, 0.0001264600000000, -0.0002585300000000 ] - [ 0.0001466000000000, -0.0001840000000000, -0.0000209100000000 ] - [ -0.0002061300000000, 0.0000174900000000, 0.0001493400000000 ] - [ -0.0044000300000000, 0.0023826100000000, -0.0005481300000000 ] - [ 0.0000804100000000, -0.0000226200000000, 0.0001918400000000 ] - [ -0.0000461600000000, -0.0000305800000000, -0.0006518400000000 ] - [ -0.0004253200000000, 0.0001493300000000, -0.0002145800000000 ] - [ 0.0020627500000000, 0.0033905800000000, 0.0008449400000000 ] - [ 0.0005236900000000, 0.0004457400000000, 0.0001103900000000 ] - [ -0.0000847200000000, 0.0008109600000000, -0.0001941700000000 ] - [ 0.0002874800000000, -0.0000048900000000, -0.0000512800000000 ] - [ -0.0008686800000000, -0.0000290000000000, -0.0001069800000000 ] - [ -0.0000448200000000, -0.0001257800000000, 0.0001121300000000 ] - [ 0.0004679800000000, -0.0001160500000000, -0.0009394900000000 ] - [ -0.0004020300000000, 0.0002639000000000, -0.0002577500000000 ] - [ -0.0020974500000000, -0.0020362100000000, 0.0001288000000000 ] - [ 0.0005150700000000, 0.0001938700000000, -0.0001561300000000 ] - [ 0.0001862900000000, -0.0000817200000000, -0.0006917800000000 ] - [ -0.0000857100000000, -0.0001642000000000, -0.0000304300000000 ] - [ -0.0374027400000000, 0.0091259400000000, 0.0385756600000000 ] - [ 0.0001114600000000, -0.0002195100000000, 0.0000446700000000 ] - [ -0.0005589500000000, 0.0000518700000000, -0.0000413400000000 ] - [ 0.0004284100000000, 0.0001254700000000, 0.0002139500000000 ] - [ 0.0003671800000000, -0.0005401800000000, -0.0003487200000000 ] - [ -0.0002407400000000, 0.0000790700000000, 0.0002483800000000 ] - [ -0.0034211600000000, -0.0038308200000000, 0.0178134200000000 ] - [ 0.0001646200000000, -0.0006148000000000, -0.0001943100000000 ] - [ 0.0001861800000000, 0.0006293300000000, -0.0005060900000000 ] - [ -0.0001891700000000, -0.0006867300000000, -0.0005914400000000 ] - [ 0.0000217500000000, 0.0000494800000000, 0.0002101700000000 ] - [ 0.0001736800000000, 0.0003507500000000, 0.0000538600000000 ] - [ -0.0000245800000000, -0.0001847200000000, -0.0001491900000000 ] - [ 0.0002431300000000, 0.0001450600000000, -0.0001134100000000 ] - [ -0.0003951100000000, 0.0006681400000000, -0.0003745500000000 ] - [ -0.0004254300000000, -0.0006891300000000, 0.0009801900000000 ] - [ 0.0007701600000000, 0.0000451100000000, -0.0002448200000000 ] - [ 0.0000251900000000, -0.0001968300000000, 0.0000291100000000 ] - [ 0.0002134300000000, 0.0000075500000000, 0.0000739900000000 ] - [ -0.0002196800000000, 0.0003124900000000, -0.0002975500000000 ] - [ -0.0002215100000000, -0.0007687000000000, -0.0008183200000000 ] - [ 0.0003490000000000, 0.0002996700000000, -0.0002628600000000 ] - [ -0.0000769300000000, 0.0003594300000000, 0.0003117100000000 ] - [ 0.0002456400000000, -0.0002592500000000, 0.0000982500000000 ] - [ -0.0001118100000000, -0.0000038500000000, -0.0002384400000000 ] - [ 0.0000741000000000, -0.0001613900000000, -0.0000311800000000 ] - [ -0.0001318500000000, 0.0003186600000000, 0.0005841600000000 ] - [ 0.0003525200000000, 0.0000018400000000, 0.0004039300000000 ] - [ 0.0019195300000000, -0.0013716400000000, 0.0000134100000000 ] - [ -0.0003405200000000, 0.0000759200000000, 0.0003471500000000 ] - [ -0.0001968200000000, 0.0006656100000000, -0.0005934300000000 ] - [ 0.0001597900000000, -0.0007519300000000, -0.0008405000000000 ] - [ 0.0001872400000000, 0.0006408100000000, -0.0004221000000000 ] - [ -0.0000048600000000, -0.0006649300000000, -0.0005304400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009655500000000, -0.0008931900000000, -0.0007493100000000 ] - [ 0.0000626200000000, -0.0001113300000000, 0.0001138800000000 ] - [ -0.0002482300000000, -0.0002056200000000, 0.0000537100000000 ] - [ -0.0000330800000000, 0.0000037800000000, 0.0000855500000000 ] - [ -0.0012069700000000, 0.0001460700000000, -0.0009588200000000 ] - [ -0.0000421200000000, 0.0003261700000000, 0.0010209100000000 ] - [ -0.0000029100000000, -0.0001987600000000, -0.0013189000000000 ] - [ 0.0000620300000000, -0.0001301900000000, 0.0002465200000000 ] - [ -0.0186477900000000, 0.0015061300000000, 0.0024575600000000 ] - [ 0.0000696300000000, -0.0002798100000000, 0.0003963500000000 ] - [ -0.0008343700000000, 0.0006875000000000, -0.0001039700000000 ] - [ 0.0003164500000000, 0.0001481700000000, -0.0000493000000000 ] - [ -0.0005304800000000, -0.0011043400000000, -0.0014534100000000 ] - [ 0.0000114000000000, 0.0000738400000000, 0.0000682000000000 ] - [ 0.0003022700000000, 0.0005766600000000, -0.0000278500000000 ] - [ 0.0002611200000000, -0.0001473300000000, -0.0005221600000000 ] - [ -0.0003295600000000, 0.0003265600000000, 0.0007700100000000 ] - [ 0.0005729000000000, -0.0001507900000000, 0.0003246900000000 ] - [ 0.0003343800000000, -0.0000724300000000, -0.0000993100000000 ] - [ -0.0001050000000000, -0.0001139600000000, 0.0002637400000000 ] - [ 0.0005194700000000, 0.0014199400000000, -0.0004284900000000 ] - [ -0.0000115200000000, -0.0000180700000000, 0.0002053300000000 ] - [ 0.0012460300000000, -0.0008056300000000, -0.0010572600000000 ] - [ -0.0000698200000000, 0.0001194500000000, 0.0000586200000000 ] - [ 0.0009604100000000, -0.0006346000000000, -0.0005144100000000 ] - [ 0.0001810300000000, 0.0002950600000000, 0.0001399700000000 ] - [ 0.0001559400000000, -0.0002362400000000, 0.0001380600000000 ] - [ 0.0000287800000000, 0.0000175800000000, -0.0001388100000000 ] - [ -0.0083437500000000, -0.0014454600000000, 0.0030242000000000 ] - [ -0.0000598000000000, -0.0000870600000000, 0.0004475800000000 ] - [ 0.0001109400000000, 0.0002881600000000, 0.0000678100000000 ] - [ -0.0001738500000000, -0.0003417900000000, -0.0000716300000000 ] - [ -0.0165311500000000, 0.0092760300000000, 0.0536466200000000 ] - [ 0.0003743600000000, 0.0000933500000000, -0.0002228700000000 ] - [ 0.0003810700000000, -0.0001164900000000, -0.0003111400000000 ] - [ -0.0003442100000000, 0.0001003600000000, -0.0002580800000000 ] - [ 0.0000341200000000, -0.0001070100000000, -0.0001900700000000 ] - [ -0.0000874300000000, 0.0000102000000000, 0.0001720700000000 ] - [ -0.0001287400000000, -0.0002058500000000, 0.0000537300000000 ] - [ 0.0000953200000000, 0.0000157100000000, 0.0001630100000000 ] - [ -0.0001617600000000, -0.0002110800000000, 0.0000494500000000 ] - [ 0.0000437900000000, 0.0000979000000000, -0.0001520300000000 ] - [ 0.0001614300000000, -0.0002370700000000, 0.0001013300000000 ] - [ -0.0001374200000000, 0.0002094400000000, 0.0000898500000000 ] - [ -0.0001300500000000, 0.0003199200000000, -0.0000076500000000 ] - [ 0.0002637000000000, -0.0003063400000000, -0.0002479300000000 ] - [ 0.0001357300000000, 0.0002605100000000, 0.0001050100000000 ] - [ -0.0000802500000000, -0.0001326300000000, 0.0001417400000000 ] - [ -0.0003685400000000, -0.0001052700000000, -0.0003185500000000 ] - [ 0.0003325400000000, 0.0001021800000000, -0.0002821500000000 ] - [ 0.0003360400000000, -0.0001022500000000, -0.0002061500000000 ] - [ -0.0001256800000000, 0.0000757800000000, -0.0002510000000000 ] - [ 0.0000296000000000, 0.0002451200000000, 0.0004423400000000 ] - [ 0.0000319900000000, -0.0000793100000000, 0.0002741500000000 ] - [ 0.0042357500000000, -0.0023425200000000, 0.0010430700000000 ] - [ 0.0000966700000000, -0.0000356100000000, 0.0002277000000000 ] - [ 0.0002901500000000, -0.0001936300000000, 0.0006170600000000 ] - [ 0.0001936500000000, 0.0000663800000000, 0.0001776200000000 ] - [ -0.0022437100000000, -0.0035627300000000, -0.0008260700000000 ] - [ -0.0002852700000000, -0.0002238400000000, -0.0001483900000000 ] - [ -0.0001161100000000, -0.0005036500000000, 0.0002429500000000 ] - [ -0.0000799100000000, -0.0002979400000000, 0.0000987900000000 ] - [ 0.0010634300000000, 0.0003307000000000, 0.0001510800000000 ] - [ -0.0001547200000000, -0.0001741800000000, -0.0000615400000000 ] - [ 0.0002075400000000, -0.0004412900000000, 0.0004662100000000 ] - [ -0.0002707500000000, 0.0002805800000000, -0.0002211400000000 ] - [ 0.0014308900000000, 0.0015225300000000, -0.0005356000000000 ] - [ 0.0001604100000000, 0.0003504400000000, -0.0003199000000000 ] - [ -0.0001273000000000, 0.0005071200000000, 0.0007582200000000 ] - [ 0.0000220100000000, -0.0002597300000000, 0.0000963300000000 ] - [ 0.0352957900000000, -0.0087963400000000, -0.0377197000000000 ] - [ -0.0000459400000000, -0.0002029900000000, 0.0000199700000000 ] - [ -0.0001689200000000, -0.0001975300000000, 0.0006272400000000 ] - [ 0.0002980900000000, 0.0000256800000000, 0.0003710000000000 ] - [ 0.0003591300000000, 0.0003847700000000, 0.0009333900000000 ] - [ -0.0004849500000000, 0.0000744000000000, 0.0003371500000000 ] - [ 0.0030586900000000, 0.0050323900000000, -0.0186800900000000 ] - [ 0.0001940200000000, -0.0006471900000000, -0.0007505600000000 ] - [ 0.0001663300000000, 0.0006332300000000, -0.0004369400000000 ] - [ -0.0001687200000000, -0.0005765800000000, -0.0003520000000000 ] - [ 0.0002188600000000, -0.0002713100000000, -0.0002471600000000 ] - [ -0.0004120400000000, -0.0001446100000000, -0.0000841300000000 ] - [ -0.0002144200000000, -0.0000364200000000, 0.0001102600000000 ] - [ -0.0000067400000000, 0.0000763900000000, 0.0000743100000000 ] - [ 0.0001940800000000, -0.0003748100000000, 0.0004145300000000 ] - [ 0.0006415000000000, 0.0003872700000000, -0.0009406100000000 ] - [ -0.0005686800000000, 0.0002543400000000, 0.0002865800000000 ] - [ -0.0002311500000000, -0.0001044800000000, 0.0000141300000000 ] - [ 0.0004619400000000, -0.0005495800000000, -0.0005479800000000 ] - [ -0.0004578500000000, 0.0002280900000000, -0.0001761200000000 ] - [ -0.0004551800000000, 0.0002245200000000, 0.0003394700000000 ] - [ 0.0003269800000000, 0.0002450600000000, -0.0002166300000000 ] - [ 0.0001425600000000, 0.0000598200000000, -0.0002484500000000 ] - [ -0.0003120900000000, -0.0001629000000000, -0.0000348700000000 ] - [ 0.0000464600000000, 0.0004230900000000, 0.0003016200000000 ] - [ -0.0000065600000000, -0.0002582400000000, 0.0000952300000000 ] - [ -0.0005980100000000, -0.0004764300000000, -0.0000103400000000 ] - [ 0.0003774600000000, 0.0001561800000000, 0.0001730600000000 ] - [ -0.0011985500000000, 0.0012251100000000, 0.0005478100000000 ] - [ -0.0003869300000000, 0.0000761700000000, 0.0002356200000000 ] - [ -0.0001588500000000, 0.0005940900000000, -0.0003486300000000 ] - [ 0.0002010800000000, -0.0005054900000000, -0.0001012300000000 ] - [ 0.0001690700000000, 0.0006196600000000, -0.0005209200000000 ] - [ -0.0003453700000000, -0.0005996500000000, -0.0004121400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001692600000000, -0.0003641700000000, 0.0002738700000000 ] - [ -0.0000841400000000, 0.0001215300000000, 0.0001417100000000 ] - [ -0.0000019200000000, 0.0002665700000000, -0.0002314500000000 ] - [ 0.0003322600000000, -0.0005468800000000, -0.0002123400000000 ] - [ 0.0006295400000000, -0.0005902900000000, -0.0008346700000000 ] - [ -0.0000269300000000, 0.0003569100000000, -0.0003991400000000 ] - [ 0.0013978400000000, -0.0027068900000000, -0.0014981500000000 ] - [ 0.0005715400000000, -0.0002174600000000, 0.0003459200000000 ] - [ -0.0004011800000000, 0.0005008200000000, 0.0001420900000000 ] - [ 0.0000121400000000, -0.0001347800000000, 0.0002876200000000 ] - [ -0.0077388500000000, 0.0159599700000000, 0.0096844000000000 ] - [ 0.0003696900000000, 0.0001532500000000, 0.0000509400000000 ] - [ -0.0002227900000000, -0.0001754900000000, 0.0002125700000000 ] - [ 0.0005224700000000, 0.0000388000000000, 0.0001752800000000 ] - [ 0.0001940600000000, 0.0004206900000000, 0.0001764000000000 ] - [ 0.0003275900000000, -0.0005048800000000, 0.0000109300000000 ] - [ -0.0017334900000000, -0.0006928300000000, -0.0003948700000000 ] - [ 0.0004582100000000, -0.0002055400000000, 0.0004165800000000 ] - [ -0.0000384300000000, -0.0002949200000000, 0.0006611800000000 ] - [ 0.0009842100000000, 0.0002316700000000, -0.0000351400000000 ] - [ -0.0002549900000000, -0.0006518000000000, -0.0004718600000000 ] - [ 0.0006433400000000, 0.0000801400000000, -0.0000317400000000 ] - [ -0.0006028600000000, -0.0001089300000000, 0.0003725700000000 ] - [ 0.0002002300000000, 0.0001292400000000, 0.0000360800000000 ] - [ -0.0001147200000000, -0.0001888500000000, 0.0001843700000000 ] - [ 0.0001118500000000, 0.0001750200000000, 0.0000842900000000 ] - [ 0.0001758200000000, -0.0002868600000000, 0.0001284400000000 ] - [ -0.0001220600000000, 0.0003282500000000, -0.0000135300000000 ] - [ -0.0000814200000000, 0.0002403100000000, 0.0000370200000000 ] - [ 0.0001582300000000, -0.0003471800000000, -0.0000345400000000 ] - [ 0.0007115500000000, 0.0007503400000000, -0.0003310600000000 ] - [ -0.0001404300000000, -0.0002560300000000, 0.0000873600000000 ] - [ -0.0006390800000000, -0.0001067800000000, -0.0001994700000000 ] - [ 0.0004200100000000, 0.0000959400000000, -0.0002536700000000 ] - [ -0.0011908900000000, 0.0084420600000000, 0.0040709500000000 ] - [ -0.0001799100000000, 0.0001093300000000, -0.0002630100000000 ] - [ -0.0830709100000000, 0.0778228800000000, 0.0440176000000000 ] - [ -0.0000632000000000, -0.0000351600000000, 0.0002108300000000 ] - [ -0.0001281100000000, -0.0001924600000000, 0.0001303700000000 ] - [ 0.0002631100000000, -0.0001317200000000, 0.0002564800000000 ] - [ -0.0001633500000000, -0.0003270300000000, 0.0001226100000000 ] - [ 0.0009779000000000, -0.0006764900000000, -0.0004569300000000 ] - [ 0.0015137600000000, -0.0003729500000000, 0.0006940100000000 ] - [ -0.0001186100000000, 0.0001329600000000, 0.0000851100000000 ] - [ -0.0001242700000000, 0.0003452500000000, 0.0001011000000000 ] - [ 0.0017481900000000, 0.0008454400000000, 0.0009814000000000 ] - [ 0.0001375300000000, 0.0002573000000000, 0.0000958100000000 ] - [ -0.0000967800000000, -0.0002387300000000, 0.0001484800000000 ] - [ -0.0006779100000000, -0.0001349800000000, -0.0001964700000000 ] - [ 0.0021711400000000, 0.0002033400000000, -0.0001365600000000 ] - [ 0.0004991800000000, -0.0001919500000000, -0.0002949200000000 ] - [ -0.0000338100000000, 0.0000830100000000, -0.0002619200000000 ] - [ 0.0001163300000000, -0.0002841800000000, 0.0000395800000000 ] - [ -0.0000403600000000, -0.0000054600000000, 0.0001836200000000 ] - [ -0.0001512400000000, 0.0001215100000000, 0.0001710000000000 ] - [ 0.0001083000000000, -0.0000393900000000, 0.0002154000000000 ] - [ -0.0001227900000000, 0.0007717700000000, 0.0004065800000000 ] - [ -0.0004740200000000, 0.0003525300000000, -0.0000348500000000 ] - [ 0.0000813800000000, -0.0003433900000000, 0.0001163400000000 ] - [ -0.0000221900000000, 0.0000279400000000, 0.0000283600000000 ] - [ 0.0015702500000000, -0.0016365500000000, -0.0009813100000000 ] - [ 0.0000062200000000, -0.0002711600000000, -0.0000537200000000 ] - [ 0.0003333400000000, 0.0000709300000000, -0.0000079600000000 ] - [ -0.0005545200000000, -0.0004059000000000, 0.0002350700000000 ] - [ 0.0003283100000000, 0.0008282700000000, 0.0010234200000000 ] - [ -0.0005427400000000, 0.0002683700000000, -0.0002561800000000 ] - [ -0.0000349800000000, -0.0002842700000000, -0.0004053000000000 ] - [ 0.0001174900000000, 0.0002549700000000, -0.0002379000000000 ] - [ 0.0112686200000000, 0.0031100300000000, 0.0009756700000000 ] - [ -0.0002299300000000, -0.0001512200000000, -0.0000251300000000 ] - [ 0.0002932200000000, 0.0001144900000000, 0.0001465600000000 ] - [ -0.0000768800000000, -0.0002286900000000, 0.0000651100000000 ] - [ 0.0737320400000000, -0.1029052700000000, -0.0604073000000000 ] - [ 0.0002741400000000, 0.0000509500000000, 0.0003365700000000 ] - [ 0.0005151900000000, 0.0001429000000000, 0.0001971100000000 ] - [ -0.0007276300000000, 0.0002673900000000, 0.0001266700000000 ] - [ -0.0001044900000000, 0.0006527500000000, -0.0005613400000000 ] - [ 0.0001409300000000, -0.0005266800000000, -0.0004067500000000 ] - [ 0.0001548700000000, -0.0008596600000000, -0.0011335300000000 ] - [ -0.0002519900000000, -0.0005797200000000, -0.0004601600000000 ] - [ 0.0008278200000000, -0.0003610800000000, -0.0002443700000000 ] - [ -0.0002114100000000, 0.0000273900000000, -0.0000956200000000 ] - [ -0.0000827400000000, 0.0001375500000000, -0.0000625900000000 ] - [ -0.0008031000000000, 0.0003019600000000, -0.0001235900000000 ] - [ -0.0001333400000000, 0.0004566300000000, 0.0003209200000000 ] - [ -0.0002812700000000, -0.0000622300000000, 0.0001907700000000 ] - [ 0.0002589400000000, 0.0003798800000000, -0.0002582800000000 ] - [ -0.0004238000000000, -0.0000354200000000, -0.0000900500000000 ] - [ 0.0014529700000000, 0.0023257400000000, 0.0037160500000000 ] - [ -0.0004290700000000, 0.0002943900000000, -0.0002719800000000 ] - [ 0.0000335000000000, -0.0002878600000000, -0.0003615500000000 ] - [ -0.0000543400000000, 0.0001998400000000, -0.0002046900000000 ] - [ 0.0000556000000000, 0.0008245800000000, 0.0004807500000000 ] - [ -0.0002917000000000, -0.0001689300000000, -0.0000046800000000 ] - [ 0.0001973700000000, 0.0006074900000000, -0.0000751000000000 ] - [ -0.0014340700000000, -0.0004552700000000, 0.0001914700000000 ] - [ -0.0002004100000000, 0.0003244800000000, 0.0006581600000000 ] - [ 0.0001604100000000, 0.0000018600000000, 0.0003665800000000 ] - [ 0.0006788100000000, -0.0003161100000000, 0.0003598500000000 ] - [ -0.0004933900000000, 0.0000920900000000, 0.0002593400000000 ] - [ -0.0000257100000000, 0.0005974300000000, -0.0004875200000000 ] - [ -0.0018630000000000, -0.0008485900000000, -0.0005419300000000 ] - [ 0.0000875600000000, 0.0006751300000000, -0.0004898600000000 ] - [ -0.0003821400000000, -0.0006332400000000, -0.0004007100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001652200000000, 0.0003657700000000, -0.0001304100000000 ] - [ 0.0000801900000000, -0.0001184300000000, 0.0000043600000000 ] - [ 0.0000063700000000, -0.0002684800000000, 0.0003768500000000 ] - [ -0.0003329600000000, 0.0005282400000000, 0.0003442100000000 ] - [ -0.0006205000000000, 0.0005891300000000, 0.0001990900000000 ] - [ 0.0000176000000000, -0.0003501800000000, -0.0002382900000000 ] - [ -0.0017223100000000, 0.0030213000000000, 0.0021158100000000 ] - [ -0.0001670100000000, -0.0000989100000000, 0.0002870800000000 ] - [ 0.0007856700000000, -0.0001845200000000, 0.0004931300000000 ] - [ -0.0004116300000000, -0.0001805300000000, 0.0003433500000000 ] - [ 0.0076872600000000, -0.0159691200000000, -0.0095085900000000 ] - [ -0.0000370800000000, 0.0000465400000000, 0.0000166500000000 ] - [ 0.0005394200000000, -0.0000295600000000, -0.0001405000000000 ] - [ -0.0008443300000000, 0.0001676100000000, -0.0001100800000000 ] - [ -0.0001959300000000, -0.0004294700000000, -0.0008101900000000 ] - [ -0.0003399900000000, 0.0004915200000000, -0.0006329300000000 ] - [ 0.0013474500000000, 0.0010142900000000, 0.0010309100000000 ] - [ -0.0000548600000000, -0.0001146200000000, 0.0002168200000000 ] - [ 0.0004192300000000, 0.0006218200000000, -0.0000331600000000 ] - [ -0.0013740100000000, -0.0005568500000000, 0.0006745000000000 ] - [ -0.0000645600000000, 0.0004415500000000, 0.0005341300000000 ] - [ -0.0003105600000000, 0.0001234300000000, 0.0001007200000000 ] - [ 0.0009131100000000, -0.0000945900000000, -0.0003117100000000 ] - [ -0.0005287800000000, 0.0000679100000000, 0.0000373500000000 ] - [ -0.0002095400000000, -0.0003188000000000, 0.0000472700000000 ] - [ 0.0002140900000000, 0.0003337600000000, 0.0001486200000000 ] - [ 0.0001483800000000, -0.0002191400000000, 0.0001033600000000 ] - [ -0.0002041200000000, 0.0001804600000000, 0.0002439600000000 ] - [ -0.0001531400000000, 0.0003046800000000, 0.0001312800000000 ] - [ 0.0000779700000000, -0.0001986200000000, 0.0002012400000000 ] - [ -0.0004667700000000, -0.0001941100000000, 0.0004892800000000 ] - [ -0.0000962200000000, -0.0002885300000000, 0.0000801400000000 ] - [ -0.0000314900000000, -0.0000966800000000, -0.0003097900000000 ] - [ 0.0002565500000000, 0.0001073700000000, -0.0002561300000000 ] - [ 0.0018444500000000, -0.0086387000000000, -0.0045649400000000 ] - [ -0.0004943700000000, 0.0000941700000000, -0.0002467700000000 ] - [ 0.0852191800000000, -0.0769042100000000, -0.0431493600000000 ] - [ -0.0001135900000000, -0.0000242700000000, 0.0002090200000000 ] - [ -0.0000494200000000, 0.0002533900000000, 0.0002901100000000 ] - [ -0.0000848100000000, 0.0000748100000000, 0.0001616900000000 ] - [ -0.0001611700000000, -0.0001797300000000, 0.0001095200000000 ] - [ -0.0006559100000000, 0.0012021500000000, 0.0006989000000000 ] - [ -0.0011685300000000, -0.0001391800000000, -0.0004466700000000 ] - [ -0.0002077100000000, 0.0003751300000000, 0.0001475100000000 ] - [ -0.0001102000000000, 0.0001989900000000, 0.0000670900000000 ] - [ -0.0015314700000000, -0.0014071900000000, -0.0008242400000000 ] - [ 0.0000966800000000, 0.0002870000000000, 0.0000733400000000 ] - [ -0.0001410600000000, -0.0003084100000000, 0.0000183800000000 ] - [ 0.0000081000000000, -0.0000672200000000, -0.0003134400000000 ] - [ -0.0015096800000000, -0.0000010600000000, -0.0003747200000000 ] - [ 0.0001679100000000, -0.0000100000000000, -0.0002144400000000 ] - [ -0.0006392200000000, 0.0001195700000000, -0.0002481500000000 ] - [ 0.0000605600000000, 0.0003456900000000, 0.0003811600000000 ] - [ -0.0001364900000000, -0.0000541300000000, 0.0002363500000000 ] - [ -0.0000269900000000, -0.0000639300000000, 0.0002483500000000 ] - [ 0.0000686800000000, -0.0000195800000000, 0.0002043000000000 ] - [ 0.0003397000000000, -0.0009946500000000, -0.0004454000000000 ] - [ 0.0002310100000000, -0.0001327800000000, -0.0000034300000000 ] - [ -0.0003109700000000, 0.0001224600000000, -0.0001515300000000 ] - [ 0.0002613800000000, 0.0001887200000000, -0.0000648600000000 ] - [ -0.0018300500000000, 0.0019112800000000, 0.0010117600000000 ] - [ 0.0001912700000000, -0.0000302800000000, 0.0000991200000000 ] - [ -0.0001205100000000, 0.0002268500000000, 0.0000512700000000 ] - [ 0.0003482100000000, 0.0000981100000000, -0.0001835700000000 ] - [ 0.0003436900000000, -0.0013463500000000, -0.0014679500000000 ] - [ -0.0001357400000000, 0.0002733700000000, -0.0002216200000000 ] - [ -0.0006358100000000, -0.0002566100000000, -0.0000762300000000 ] - [ 0.0005554900000000, 0.0002847100000000, -0.0002364600000000 ] - [ -0.0114307700000000, -0.0026435200000000, -0.0009160300000000 ] - [ 0.0001635100000000, -0.0002713800000000, 0.0000892300000000 ] - [ -0.0003561900000000, 0.0003109100000000, -0.0000816600000000 ] - [ 0.0001397600000000, -0.0001951600000000, 0.0000009000000000 ] - [ -0.0764109400000000, 0.1017582800000000, 0.0605234700000000 ] - [ 0.0004505100000000, 0.0001032800000000, 0.0002476900000000 ] - [ 0.0002143700000000, -0.0002967100000000, 0.0003826500000000 ] - [ -0.0000018400000000, -0.0001167400000000, 0.0004583600000000 ] - [ -0.0002550900000000, 0.0006090000000000, -0.0003815900000000 ] - [ 0.0002143000000000, -0.0007355100000000, -0.0005365900000000 ] - [ 0.0001907900000000, 0.0021011800000000, 0.0001760200000000 ] - [ -0.0001037200000000, -0.0006834200000000, -0.0004835500000000 ] - [ -0.0005992600000000, 0.0001452900000000, 0.0002094100000000 ] - [ -0.0000295300000000, 0.0001946300000000, 0.0000585800000000 ] - [ -0.0001420200000000, -0.0003526500000000, 0.0000249500000000 ] - [ 0.0010351800000000, -0.0000705600000000, 0.0000754700000000 ] - [ -0.0000777500000000, -0.0001555100000000, -0.0002763200000000 ] - [ 0.0004798400000000, -0.0002393800000000, -0.0001456800000000 ] - [ -0.0000423600000000, -0.0000759900000000, 0.0002989300000000 ] - [ 0.0002214600000000, -0.0002619000000000, 0.0001306300000000 ] - [ -0.0008086400000000, -0.0029321300000000, -0.0042731500000000 ] - [ -0.0002490400000000, 0.0002514300000000, -0.0002055700000000 ] - [ -0.0007028100000000, -0.0002605200000000, -0.0001093700000000 ] - [ 0.0007268600000000, 0.0003505900000000, -0.0002796000000000 ] - [ 0.0000122000000000, -0.0004108700000000, -0.0004224100000000 ] - [ 0.0002246500000000, -0.0002507400000000, 0.0000683000000000 ] - [ -0.0002619800000000, -0.0001910000000000, 0.0001417000000000 ] - [ 0.0015043000000000, 0.0000360000000000, -0.0001274500000000 ] - [ -0.0005251100000000, -0.0004771600000000, -0.0000719900000000 ] - [ 0.0005652200000000, 0.0001505600000000, 0.0002165800000000 ] - [ 0.0000514400000000, 0.0001631200000000, 0.0002244000000000 ] - [ -0.0002350000000000, 0.0000626000000000, 0.0003224500000000 ] - [ -0.0003340800000000, 0.0006639100000000, -0.0004557100000000 ] - [ 0.0022365100000000, -0.0004114600000000, -0.0004027300000000 ] - [ 0.0002740400000000, 0.0005854000000000, -0.0004535600000000 ] - [ 0.0000263000000000, -0.0006262100000000, -0.0005391800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009425400000000, 0.0005741200000000, -0.0007821600000000 ] - [ 0.0009851700000000, 0.0004837000000000, 0.0007495000000000 ] - [ 0.0004522600000000, -0.0001181500000000, 0.0000849800000000 ] - [ -0.0026222300000000, 0.0008865400000000, 0.0005000000000000 ] - [ -0.0039955500000000, 0.0030906700000000, 0.0021664000000000 ] - [ 0.0007727000000000, 0.0002572800000000, -0.0011896300000000 ] - [ -0.0183409300000000, 0.0130832600000000, 0.0140252400000000 ] - [ -0.0010680300000000, 0.0005499100000000, -0.0002140000000000 ] - [ 0.0010054000000000, -0.0014188200000000, -0.0012682300000000 ] - [ 0.0000753700000000, 0.0004652900000000, -0.0000060500000000 ] - [ 0.0128817800000000, 0.0195883500000000, 0.0182686500000000 ] - [ 0.0014195200000000, 0.0001717500000000, -0.0003109700000000 ] - [ 0.0009534600000000, 0.0021559500000000, -0.0010797800000000 ] - [ 0.0005517200000000, 0.0002092000000000, -0.0001574100000000 ] - [ 0.0046312700000000, 0.0024993000000000, 0.0027288500000000 ] - [ -0.0015717800000000, -0.0005985000000000, -0.0010373500000000 ] - [ 0.0019392800000000, 0.0035656400000000, 0.0048667900000000 ] - [ 0.0015164700000000, -0.0009577600000000, 0.0008293900000000 ] - [ -0.0005889500000000, 0.0034310600000000, -0.0010140800000000 ] - [ -0.0006496900000000, -0.0008873200000000, 0.0005879500000000 ] - [ -0.0021796300000000, 0.0046383800000000, 0.0044218500000000 ] - [ -0.0010325600000000, -0.0000697900000000, 0.0003366700000000 ] - [ -0.0005040000000000, -0.0021772400000000, -0.0018617100000000 ] - [ -0.0005768100000000, 0.0001667800000000, 0.0000885300000000 ] - [ -0.0002552200000000, -0.0012764300000000, 0.0004843600000000 ] - [ 0.0005810500000000, 0.0015369400000000, 0.0004225700000000 ] - [ 0.0000667500000000, 0.0004816700000000, -0.0000360300000000 ] - [ -0.0000430300000000, -0.0007355100000000, 0.0001081300000000 ] - [ -0.0000370400000000, -0.0000248400000000, 0.0006690300000000 ] - [ -0.0003733300000000, 0.0003682400000000, 0.0010511300000000 ] - [ 0.0006805700000000, 0.0008181100000000, -0.0010330600000000 ] - [ 0.0002141800000000, 0.0002865800000000, 0.0003181300000000 ] - [ -0.0006568800000000, -0.0005022300000000, -0.0001189200000000 ] - [ 0.0003583000000000, 0.0002395000000000, -0.0002156300000000 ] - [ 0.0146636100000000, 0.0012946000000000, 0.0021329400000000 ] - [ -0.0003721600000000, 0.0002529300000000, -0.0002616100000000 ] - [ 0.0738932800000000, -0.2087271700000000, -0.1156954900000000 ] - [ -0.0000938800000000, 0.0008805100000000, -0.0002701100000000 ] - [ 0.0001362100000000, 0.0022246200000000, 0.0010863700000000 ] - [ 0.0001924300000000, -0.0006962900000000, 0.0003471300000000 ] - [ 0.0000009700000000, 0.0008195300000000, -0.0001577600000000 ] - [ -0.0017172200000000, -0.0023211500000000, -0.0001559600000000 ] - [ 0.0001559500000000, -0.0025688500000000, 0.0003857500000000 ] - [ -0.0004852800000000, 0.0013069000000000, 0.0002840500000000 ] - [ -0.0000796800000000, 0.0007751200000000, -0.0004006400000000 ] - [ 0.0024522100000000, -0.0023691900000000, -0.0020185200000000 ] - [ 0.0000746600000000, 0.0003278600000000, 0.0001565700000000 ] - [ -0.0002822300000000, -0.0005508900000000, 0.0001321900000000 ] - [ 0.0004211700000000, 0.0005727000000000, -0.0004719100000000 ] - [ 0.0004786400000000, 0.0000321100000000, -0.0003038400000000 ] - [ -0.0004845500000000, 0.0003712200000000, -0.0000151800000000 ] - [ -0.0005176200000000, -0.0000049500000000, -0.0002088200000000 ] - [ -0.0002297300000000, 0.0023148000000000, 0.0013061500000000 ] - [ -0.0000644100000000, -0.0008977100000000, 0.0006657700000000 ] - [ -0.0001813000000000, -0.0013888200000000, 0.0003026800000000 ] - [ 0.0000982600000000, 0.0005102600000000, 0.0000551800000000 ] - [ 0.0086547800000000, -0.0030436100000000, -0.0028957400000000 ] - [ 0.0015855100000000, -0.0015996100000000, 0.0003259600000000 ] - [ -0.0007143300000000, 0.0005158700000000, 0.0002991200000000 ] - [ -0.0002372600000000, -0.0005935800000000, 0.0003136000000000 ] - [ -0.0115213300000000, -0.0025944400000000, -0.0046993000000000 ] - [ -0.0019579900000000, -0.0012080200000000, 0.0003570600000000 ] - [ -0.0007437500000000, -0.0004782500000000, 0.0004734500000000 ] - [ -0.0007832200000000, -0.0003875500000000, 0.0007484400000000 ] - [ 0.0014213900000000, -0.0096010100000000, -0.0099696300000000 ] - [ -0.0000794400000000, 0.0000457900000000, -0.0001381100000000 ] - [ -0.0009330300000000, -0.0007185200000000, 0.0012847300000000 ] - [ 0.0002405500000000, -0.0000901300000000, 0.0000728700000000 ] - [ 0.0100450000000000, -0.0122395100000000, -0.0126238200000000 ] - [ 0.0004782900000000, -0.0011506200000000, 0.0005534100000000 ] - [ 0.0002424600000000, 0.0018900900000000, -0.0000112100000000 ] - [ -0.0001393100000000, -0.0008322400000000, 0.0001842100000000 ] - [ -0.0821248600000000, 0.2065478700000000, 0.1151672800000000 ] - [ 0.0001031600000000, -0.0007081000000000, 0.0009637300000000 ] - [ 0.0002429500000000, -0.0025841300000000, 0.0004440200000000 ] - [ -0.0004287400000000, 0.0005362800000000, 0.0003201600000000 ] - [ -0.0000036400000000, 0.0015234900000000, -0.0009031200000000 ] - [ 0.0002677800000000, -0.0018500600000000, -0.0011239600000000 ] - [ -0.0061429600000000, 0.0020442900000000, -0.0005744300000000 ] - [ -0.0002780800000000, -0.0017376500000000, -0.0006253300000000 ] - [ -0.0016818800000000, -0.0017081200000000, -0.0016138700000000 ] - [ -0.0021059100000000, 0.0010212000000000, -0.0013837100000000 ] - [ 0.0010389300000000, -0.0009589800000000, 0.0008148000000000 ] - [ 0.0007916000000000, 0.0015110200000000, -0.0000050600000000 ] - [ 0.0017761900000000, -0.0016127100000000, -0.0015318100000000 ] - [ 0.0019119200000000, 0.0000108400000000, -0.0011323900000000 ] - [ 0.0007609900000000, 0.0008217900000000, 0.0002972300000000 ] - [ 0.0004751300000000, -0.0001903900000000, 0.0001152200000000 ] - [ -0.0017017300000000, -0.0104471300000000, -0.0082580300000000 ] - [ -0.0005114900000000, 0.0005307000000000, -0.0004409800000000 ] - [ 0.0002112000000000, -0.0008022900000000, 0.0016090400000000 ] - [ 0.0004369800000000, 0.0004466000000000, -0.0004121000000000 ] - [ 0.0009624500000000, -0.0028438100000000, -0.0023303100000000 ] - [ -0.0004516200000000, 0.0007264500000000, -0.0005099300000000 ] - [ -0.0005313400000000, -0.0023506300000000, 0.0001607700000000 ] - [ 0.0000681400000000, 0.0005281000000000, -0.0000849900000000 ] - [ -0.0008888800000000, -0.0032261800000000, -0.0023008700000000 ] - [ 0.0006927100000000, 0.0008127500000000, -0.0003085400000000 ] - [ 0.0002008200000000, 0.0016898400000000, 0.0002831900000000 ] - [ -0.0003175100000000, -0.0003748400000000, 0.0003230500000000 ] - [ -0.0006146000000000, -0.0004756200000000, 0.0000162200000000 ] - [ -0.0002372700000000, 0.0021119400000000, 0.0009351500000000 ] - [ 0.0006245200000000, -0.0001201800000000, -0.0006503500000000 ] - [ 0.0001903400000000, 0.0002731700000000, -0.0008132000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009268200000000, -0.0005660300000000, 0.0009086300000000 ] - [ -0.0009660200000000, -0.0004762300000000, -0.0005933400000000 ] - [ -0.0004496900000000, 0.0001145700000000, 0.0000641100000000 ] - [ 0.0025593700000000, -0.0008648000000000, -0.0003455800000000 ] - [ 0.0039176500000000, -0.0030313000000000, -0.0027511600000000 ] - [ -0.0007613300000000, -0.0002585800000000, 0.0005401400000000 ] - [ 0.0175327000000000, -0.0125098000000000, -0.0131462900000000 ] - [ 0.0014402900000000, -0.0008554000000000, 0.0008372900000000 ] - [ -0.0005921400000000, 0.0016972900000000, 0.0018821600000000 ] - [ -0.0004706200000000, -0.0007729200000000, 0.0006346500000000 ] - [ -0.0126488000000000, -0.0197126900000000, -0.0180807200000000 ] - [ -0.0010743400000000, 0.0000324200000000, 0.0003729000000000 ] - [ -0.0006097800000000, -0.0023244700000000, 0.0011221100000000 ] - [ -0.0008711900000000, -0.0000054100000000, 0.0002219400000000 ] - [ -0.0045569400000000, -0.0024773900000000, -0.0033167400000000 ] - [ 0.0015564500000000, 0.0005893100000000, 0.0003911100000000 ] - [ -0.0022737900000000, -0.0031548800000000, -0.0041485700000000 ] - [ -0.0010994900000000, 0.0006253300000000, -0.0001853700000000 ] - [ 0.0009966200000000, -0.0030872100000000, 0.0016049000000000 ] - [ 0.0002404100000000, 0.0005554500000000, 0.0000502900000000 ] - [ 0.0018112200000000, -0.0047482400000000, -0.0042624600000000 ] - [ 0.0013355000000000, 0.0002683600000000, -0.0002616100000000 ] - [ 0.0008332200000000, 0.0019570000000000, 0.0019284400000000 ] - [ 0.0002425100000000, 0.0000367900000000, -0.0000186800000000 ] - [ -0.0000707700000000, 0.0007519400000000, -0.0002448900000000 ] - [ -0.0002476400000000, -0.0010044700000000, -0.0001841000000000 ] - [ 0.0002566100000000, -0.0009756200000000, 0.0002655900000000 ] - [ -0.0002818000000000, 0.0012254700000000, 0.0001265300000000 ] - [ -0.0001964800000000, 0.0005632100000000, -0.0004889600000000 ] - [ 0.0005991600000000, -0.0009010300000000, -0.0008643400000000 ] - [ -0.0004409900000000, -0.0002673700000000, 0.0011796600000000 ] - [ -0.0004439000000000, -0.0008222400000000, -0.0001479600000000 ] - [ -0.0000189800000000, 0.0002912300000000, -0.0003858700000000 ] - [ 0.0003153400000000, -0.0000340100000000, -0.0002934200000000 ] - [ -0.0136744600000000, -0.0014969300000000, -0.0025931200000000 ] - [ -0.0003022000000000, -0.0000472600000000, -0.0002485300000000 ] - [ -0.0810230400000000, 0.2212918700000000, 0.1270467200000000 ] - [ -0.0000834300000000, -0.0009231800000000, 0.0006806000000000 ] - [ -0.0003092400000000, -0.0021281100000000, -0.0006534700000000 ] - [ -0.0000145100000000, 0.0006251900000000, 0.0000743800000000 ] - [ -0.0003236700000000, -0.0013090900000000, 0.0003857700000000 ] - [ 0.0020136500000000, 0.0027833200000000, 0.0003797800000000 ] - [ 0.0001595000000000, 0.0020200300000000, -0.0001553200000000 ] - [ 0.0001553500000000, -0.0007823800000000, -0.0000498600000000 ] - [ -0.0001565000000000, -0.0002216400000000, 0.0005577600000000 ] - [ -0.0021854900000000, 0.0018012900000000, 0.0021423900000000 ] - [ 0.0001596500000000, 0.0002172200000000, 0.0000140700000000 ] - [ 0.0000459600000000, 0.0000031500000000, 0.0000405900000000 ] - [ -0.0010830300000000, -0.0007676100000000, -0.0000427900000000 ] - [ 0.0001906700000000, 0.0001685900000000, -0.0002069800000000 ] - [ 0.0011413200000000, -0.0005639800000000, -0.0004887600000000 ] - [ -0.0001623600000000, 0.0002058900000000, -0.0002997800000000 ] - [ 0.0003998100000000, -0.0022079800000000, -0.0008624800000000 ] - [ -0.0001125500000000, 0.0008218900000000, -0.0002374600000000 ] - [ 0.0000037900000000, 0.0014284800000000, 0.0001236300000000 ] - [ 0.0000788000000000, -0.0005604200000000, 0.0003621000000000 ] - [ -0.0082552500000000, 0.0027676000000000, 0.0028044500000000 ] - [ -0.0017892900000000, 0.0017877500000000, -0.0003567700000000 ] - [ 0.0004671000000000, -0.0007198100000000, -0.0003325500000000 ] - [ 0.0004707700000000, 0.0008017200000000, -0.0003457600000000 ] - [ 0.0111466200000000, 0.0028710500000000, 0.0047282700000000 ] - [ 0.0021293300000000, 0.0008878900000000, -0.0003053200000000 ] - [ 0.0009334000000000, 0.0007709300000000, -0.0004192100000000 ] - [ 0.0005700300000000, 0.0000837100000000, -0.0006916900000000 ] - [ -0.0007158900000000, 0.0088558500000000, 0.0092943000000000 ] - [ -0.0005912000000000, 0.0004945600000000, -0.0003379900000000 ] - [ 0.0002460700000000, 0.0001729800000000, -0.0017328400000000 ] - [ 0.0004350800000000, 0.0006283600000000, -0.0005455500000000 ] - [ -0.0096425300000000, 0.0122334200000000, 0.0122163500000000 ] - [ -0.0005313600000000, 0.0007113900000000, -0.0004793000000000 ] - [ -0.0003030900000000, -0.0014373700000000, 0.0000666200000000 ] - [ 0.0002001000000000, 0.0003995800000000, -0.0001179400000000 ] - [ 0.0881217900000000, -0.2187655900000000, -0.1250181300000000 ] - [ 0.0006202800000000, 0.0008471500000000, -0.0003700100000000 ] - [ 0.0004798200000000, 0.0023880000000000, 0.0001450600000000 ] - [ -0.0002980100000000, -0.0003746900000000, 0.0002627400000000 ] - [ -0.0003515800000000, -0.0002446900000000, -0.0000478000000000 ] - [ 0.0000904400000000, 0.0005641300000000, 0.0001698800000000 ] - [ 0.0063762600000000, -0.0007452600000000, -0.0003592700000000 ] - [ -0.0000805500000000, 0.0004564800000000, -0.0003167700000000 ] - [ 0.0018720800000000, 0.0014595600000000, 0.0015497900000000 ] - [ 0.0018414800000000, -0.0007860900000000, 0.0013280100000000 ] - [ -0.0012660300000000, 0.0007252300000000, -0.0008320500000000 ] - [ -0.0005426300000000, -0.0012692200000000, -0.0000287100000000 ] - [ -0.0019441500000000, 0.0018810400000000, 0.0015448700000000 ] - [ -0.0016713300000000, -0.0003091100000000, 0.0011530100000000 ] - [ -0.0005549600000000, -0.0005113100000000, -0.0002525000000000 ] - [ -0.0006726300000000, -0.0001121600000000, -0.0000707200000000 ] - [ 0.0022976600000000, 0.0097288100000000, 0.0075169100000000 ] - [ -0.0001650100000000, 0.0000183900000000, -0.0000411900000000 ] - [ -0.0008930200000000, 0.0002654800000000, -0.0020776700000000 ] - [ 0.0002430600000000, 0.0001006100000000, -0.0000685800000000 ] - [ -0.0008824800000000, 0.0031941800000000, 0.0023420900000000 ] - [ 0.0003838600000000, -0.0011311100000000, 0.0005637600000000 ] - [ 0.0004578300000000, 0.0027298400000000, -0.0000852800000000 ] - [ 0.0000004400000000, -0.0009353100000000, 0.0001466800000000 ] - [ 0.0001524600000000, 0.0030084300000000, 0.0028275600000000 ] - [ 0.0000420900000000, -0.0006448000000000, 0.0008777600000000 ] - [ 0.0005245200000000, -0.0018193000000000, 0.0002855900000000 ] - [ -0.0004082700000000, 0.0005207000000000, 0.0002582600000000 ] - [ 0.0002530400000000, 0.0017206900000000, -0.0009476200000000 ] - [ 0.0005938400000000, -0.0033336600000000, -0.0018464700000000 ] - [ -0.0002588700000000, 0.0013678600000000, -0.0002956000000000 ] - [ -0.0005385100000000, -0.0015205000000000, -0.0001383200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001416800000000, -0.0000221300000000, -0.0004657400000000 ] - [ 0.0005132000000000, 0.0002728100000000, 0.0005414700000000 ] - [ -0.0001727400000000, -0.0002739000000000, 0.0004374800000000 ] - [ -0.0015821800000000, 0.0004946800000000, 0.0003372100000000 ] - [ -0.0022906500000000, 0.0018386100000000, 0.0012569100000000 ] - [ -0.0001736100000000, -0.0002554300000000, -0.0008776900000000 ] - [ -0.0094774900000000, 0.0079625500000000, 0.0105797700000000 ] - [ -0.0005193400000000, 0.0001849400000000, 0.0000115400000000 ] - [ 0.0000960400000000, -0.0012674800000000, 0.0008182700000000 ] - [ -0.0002111700000000, 0.0000807800000000, 0.0002485900000000 ] - [ 0.0049681800000000, 0.0183245100000000, 0.0192996500000000 ] - [ 0.0010639000000000, 0.0000957700000000, -0.0002738700000000 ] - [ 0.0003007300000000, 0.0000275900000000, -0.0015023100000000 ] - [ -0.0000284400000000, 0.0002044000000000, -0.0001666100000000 ] - [ 0.0032340400000000, 0.0017179100000000, 0.0023567800000000 ] - [ 0.0000996100000000, -0.0009434200000000, -0.0007725900000000 ] - [ 0.0010205100000000, 0.0032926600000000, 0.0027354200000000 ] - [ 0.0011249800000000, -0.0005771900000000, 0.0006483100000000 ] - [ 0.0005748000000000, 0.0000434100000000, -0.0023482000000000 ] - [ -0.0000890500000000, -0.0005306100000000, 0.0004333300000000 ] - [ -0.0011977900000000, 0.0027222000000000, 0.0025343500000000 ] - [ -0.0005031500000000, 0.0000158900000000, 0.0002519700000000 ] - [ 0.0002663600000000, -0.0013230700000000, 0.0014080600000000 ] - [ -0.0001637700000000, 0.0000290500000000, 0.0002437800000000 ] - [ -0.0001029200000000, -0.0006917400000000, 0.0004519000000000 ] - [ 0.0003976800000000, 0.0009466900000000, 0.0003112900000000 ] - [ 0.0001308200000000, 0.0000235600000000, 0.0000743900000000 ] - [ -0.0002901500000000, -0.0000506900000000, 0.0003083000000000 ] - [ -0.0000229300000000, 0.0000159200000000, 0.0006064600000000 ] - [ -0.0001503500000000, 0.0000562400000000, 0.0006715200000000 ] - [ 0.0001705900000000, 0.0004986100000000, -0.0008908800000000 ] - [ -0.0000270500000000, -0.0000731400000000, 0.0000103700000000 ] - [ -0.0002116800000000, -0.0003405000000000, 0.0001443800000000 ] - [ 0.0003785000000000, 0.0001631700000000, -0.0002174800000000 ] - [ 0.0081044100000000, 0.0024486600000000, -0.0010724400000000 ] - [ -0.0003416900000000, 0.0001679300000000, -0.0002729600000000 ] - [ 0.0427991700000000, -0.1187330600000000, -0.1075956900000000 ] - [ -0.0000893600000000, 0.0004486000000000, -0.0000833100000000 ] - [ -0.0000081100000000, 0.0009053500000000, 0.0004887100000000 ] - [ 0.0001360700000000, -0.0001684300000000, 0.0001358500000000 ] - [ -0.0000778000000000, 0.0002514100000000, -0.0000096400000000 ] - [ -0.0011591600000000, -0.0005141400000000, -0.0002890300000000 ] - [ 0.0005882700000000, -0.0011228700000000, 0.0001027900000000 ] - [ -0.0002535300000000, 0.0005692900000000, 0.0001187500000000 ] - [ -0.0001349000000000, 0.0005902600000000, -0.0003420000000000 ] - [ 0.0010613200000000, -0.0013618500000000, -0.0024879300000000 ] - [ 0.0000789900000000, 0.0002054400000000, 0.0002665500000000 ] - [ 0.0000204200000000, -0.0001554700000000, 0.0005729500000000 ] - [ -0.0000018000000000, 0.0001225500000000, -0.0004873600000000 ] - [ -0.0002128000000000, 0.0000105700000000, -0.0003169400000000 ] - [ -0.0000903900000000, 0.0001265400000000, -0.0000973100000000 ] - [ -0.0004414300000000, 0.0000609600000000, -0.0002081200000000 ] - [ -0.0000831800000000, 0.0011210900000000, 0.0008751800000000 ] - [ -0.0000624300000000, -0.0004837000000000, 0.0004964900000000 ] - [ -0.0000499100000000, 0.0001152200000000, 0.0009430400000000 ] - [ 0.0000941200000000, 0.0001257500000000, 0.0002184700000000 ] - [ 0.0050211200000000, -0.0020421400000000, -0.0015785400000000 ] - [ 0.0008701800000000, -0.0008038400000000, 0.0001726800000000 ] - [ 0.0000385200000000, 0.0004371500000000, -0.0000591500000000 ] - [ 0.0001453600000000, -0.0000725500000000, 0.0000732600000000 ] - [ -0.0080371900000000, -0.0029749200000000, -0.0021745000000000 ] - [ -0.0015013900000000, -0.0009868400000000, 0.0002910500000000 ] - [ -0.0000292800000000, 0.0000755300000000, 0.0004754500000000 ] - [ -0.0001756000000000, -0.0002855200000000, 0.0005947000000000 ] - [ 0.0006100800000000, -0.0044196200000000, -0.0056343700000000 ] - [ -0.0001902100000000, 0.0001674900000000, -0.0002029600000000 ] - [ -0.0003047600000000, 0.0004297200000000, 0.0003524300000000 ] - [ 0.0003202200000000, 0.0001088900000000, -0.0001000200000000 ] - [ 0.0043674500000000, -0.0143641500000000, 0.0002151100000000 ] - [ 0.0002465100000000, -0.0006880500000000, 0.0003502800000000 ] - [ -0.0000265300000000, 0.0009239800000000, -0.0008888500000000 ] - [ -0.0000085800000000, -0.0004223800000000, 0.0000150500000000 ] - [ -0.0460537100000000, 0.1115734800000000, 0.0913534800000000 ] - [ 0.0001216400000000, -0.0003374000000000, 0.0007906200000000 ] - [ 0.0002073200000000, -0.0010549200000000, 0.0008950500000000 ] - [ -0.0003509400000000, 0.0001592500000000, 0.0004903400000000 ] - [ -0.0003181600000000, 0.0011434800000000, -0.0010414000000000 ] - [ 0.0001913100000000, -0.0012498400000000, -0.0009025200000000 ] - [ -0.0030588300000000, 0.0009997000000000, 0.0001762600000000 ] - [ -0.0002335600000000, -0.0010188700000000, -0.0003953900000000 ] - [ -0.0007802900000000, -0.0012581000000000, -0.0010842500000000 ] - [ -0.0013787300000000, 0.0005085900000000, -0.0008982300000000 ] - [ 0.0001704000000000, -0.0002154300000000, 0.0009198600000000 ] - [ 0.0000342800000000, 0.0008054800000000, 0.0001161200000000 ] - [ 0.0008786900000000, -0.0008426400000000, -0.0009045400000000 ] - [ 0.0010995300000000, -0.0000597100000000, -0.0007697100000000 ] - [ -0.0002113200000000, 0.0007260100000000, -0.0003570800000000 ] - [ -0.0001183900000000, 0.0000428200000000, -0.0000803900000000 ] - [ 0.0010147200000000, -0.0018820300000000, -0.0063640200000000 ] - [ -0.0004978600000000, 0.0004110800000000, -0.0003236300000000 ] - [ -0.0007331800000000, 0.0008654200000000, 0.0001444400000000 ] - [ 0.0002989200000000, 0.0004421200000000, -0.0004197300000000 ] - [ 0.0006464700000000, -0.0015292000000000, -0.0012265200000000 ] - [ -0.0003203500000000, 0.0002865600000000, -0.0003424600000000 ] - [ -0.0001564800000000, -0.0008630400000000, 0.0009679400000000 ] - [ 0.0003484100000000, 0.0000780800000000, 0.0000954000000000 ] - [ -0.0006893700000000, -0.0016516400000000, -0.0012351500000000 ] - [ 0.0005554300000000, 0.0004543800000000, -0.0001036900000000 ] - [ 0.0003729900000000, 0.0004083400000000, -0.0008838200000000 ] - [ -0.0004214400000000, -0.0000219800000000, 0.0001249500000000 ] - [ -0.0003402300000000, 0.0001519500000000, -0.0000942100000000 ] - [ 0.0010947800000000, 0.0005593700000000, 0.0010358800000000 ] - [ 0.0004166300000000, 0.0003511800000000, -0.0006995100000000 ] - [ 0.0000053000000000, -0.0004579800000000, -0.0010479000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001370600000000, 0.0000236900000000, 0.0006066900000000 ] - [ -0.0005081200000000, -0.0002708300000000, -0.0003967000000000 ] - [ 0.0001716900000000, 0.0002721700000000, -0.0002944800000000 ] - [ 0.0015615800000000, -0.0004882000000000, -0.0001900900000000 ] - [ 0.0022704000000000, -0.0018222600000000, -0.0018777200000000 ] - [ 0.0001822200000000, 0.0002582100000000, 0.0002441500000000 ] - [ 0.0089914900000000, -0.0075474400000000, -0.0098039100000000 ] - [ 0.0009110900000000, -0.0004993300000000, 0.0006186900000000 ] - [ 0.0003136200000000, 0.0015919800000000, -0.0001901800000000 ] - [ -0.0001850100000000, -0.0003955800000000, 0.0003834400000000 ] - [ -0.0051937600000000, -0.0188734900000000, -0.0191992500000000 ] - [ -0.0007332800000000, 0.0001078900000000, 0.0003415700000000 ] - [ 0.0000337400000000, -0.0002172600000000, 0.0015680500000000 ] - [ -0.0002956200000000, -0.0000027200000000, 0.0002355400000000 ] - [ -0.0032164600000000, -0.0017092000000000, -0.0029878800000000 ] - [ -0.0000961900000000, 0.0009394000000000, 0.0001302600000000 ] - [ -0.0014041200000000, -0.0029568900000000, -0.0020855200000000 ] - [ -0.0007213800000000, 0.0002530900000000, -0.0000105400000000 ] - [ -0.0001738600000000, 0.0002802800000000, 0.0029680900000000 ] - [ -0.0003123600000000, 0.0002099100000000, 0.0002001400000000 ] - [ 0.0008609100000000, -0.0028959800000000, -0.0024450200000000 ] - [ 0.0008232600000000, 0.0001855800000000, -0.0001823900000000 ] - [ 0.0000653300000000, 0.0010999000000000, -0.0013379000000000 ] - [ -0.0001637800000000, 0.0001747900000000, -0.0001759900000000 ] - [ -0.0002245400000000, 0.0001778700000000, -0.0002176800000000 ] - [ -0.0000702600000000, -0.0004316000000000, -0.0000772000000000 ] - [ 0.0001935300000000, -0.0005260900000000, 0.0001567900000000 ] - [ -0.0000326200000000, 0.0005528700000000, -0.0000767700000000 ] - [ -0.0002127200000000, 0.0005287800000000, -0.0004371000000000 ] - [ 0.0003829100000000, -0.0005978400000000, -0.0004988500000000 ] - [ 0.0000626000000000, 0.0000448800000000, 0.0010558600000000 ] - [ -0.0002061400000000, -0.0004689400000000, 0.0001592900000000 ] - [ -0.0004691600000000, 0.0001371700000000, -0.0006551300000000 ] - [ 0.0002951400000000, 0.0000407100000000, -0.0002921500000000 ] - [ -0.0073614500000000, -0.0026443300000000, 0.0005187100000000 ] - [ -0.0003316300000000, 0.0000359000000000, -0.0002370400000000 ] - [ -0.0443914600000000, 0.1237940800000000, 0.1077585400000000 ] - [ -0.0000877400000000, -0.0005023600000000, 0.0005001900000000 ] - [ -0.0001676900000000, -0.0008347700000000, -0.0000646300000000 ] - [ 0.0000410900000000, 0.0001046300000000, 0.0002852200000000 ] - [ -0.0002466000000000, -0.0007529900000000, 0.0002405300000000 ] - [ 0.0014778300000000, 0.0010055900000000, 0.0005119800000000 ] - [ -0.0002665000000000, 0.0006063600000000, 0.0001246000000000 ] - [ -0.0000726400000000, -0.0000573900000000, 0.0001137700000000 ] - [ -0.0001002900000000, -0.0000421800000000, 0.0005075500000000 ] - [ -0.0007997300000000, 0.0008135500000000, 0.0026500000000000 ] - [ 0.0001562000000000, 0.0003395000000000, -0.0000977000000000 ] - [ -0.0002551100000000, -0.0003904900000000, -0.0004035000000000 ] - [ -0.0006705500000000, -0.0003219900000000, -0.0000241100000000 ] - [ 0.0008906900000000, 0.0001919200000000, -0.0001921100000000 ] - [ 0.0007585700000000, -0.0003262600000000, -0.0004102800000000 ] - [ -0.0002310100000000, 0.0001411700000000, -0.0003013400000000 ] - [ 0.0002581800000000, -0.0010477300000000, -0.0004480700000000 ] - [ -0.0001148700000000, 0.0004197800000000, -0.0000747000000000 ] - [ -0.0001274000000000, -0.0000634600000000, -0.0005236800000000 ] - [ 0.0000830700000000, -0.0001814800000000, 0.0002001300000000 ] - [ -0.0047367200000000, 0.0018098000000000, 0.0015282300000000 ] - [ -0.0010980300000000, 0.0010141200000000, -0.0002087800000000 ] - [ -0.0002839200000000, -0.0006566500000000, 0.0000210900000000 ] - [ 0.0000886000000000, 0.0002873800000000, -0.0001099300000000 ] - [ 0.0077895700000000, 0.0032811400000000, 0.0021894200000000 ] - [ 0.0017020900000000, 0.0006826100000000, -0.0002445400000000 ] - [ 0.0002275000000000, 0.0002214600000000, -0.0004303800000000 ] - [ -0.0000333700000000, -0.0000148100000000, -0.0005501600000000 ] - [ 0.0000636100000000, 0.0038527100000000, 0.0051239600000000 ] - [ -0.0004841800000000, 0.0003747200000000, -0.0002736500000000 ] - [ -0.0003742800000000, -0.0009799200000000, -0.0008281100000000 ] - [ 0.0003550600000000, 0.0004334300000000, -0.0003769100000000 ] - [ -0.0042589700000000, 0.0144079600000000, -0.0001621400000000 ] - [ -0.0003090500000000, 0.0002607800000000, -0.0002830300000000 ] - [ -0.0000376000000000, -0.0005020100000000, 0.0009560700000000 ] - [ 0.0000720600000000, -0.0000035500000000, 0.0000505900000000 ] - [ 0.0470482300000000, -0.1160035600000000, -0.0904427200000000 ] - [ 0.0006051600000000, 0.0004860900000000, -0.0002045800000000 ] - [ 0.0005195900000000, 0.0008861700000000, -0.0003119000000000 ] - [ -0.0003773000000000, -0.0000017400000000, 0.0000914000000000 ] - [ -0.0000341400000000, 0.0001222800000000, 0.0000969400000000 ] - [ 0.0001667600000000, -0.0000191500000000, -0.0000441500000000 ] - [ 0.0033971900000000, 0.0002733500000000, -0.0011111100000000 ] - [ -0.0001250500000000, -0.0002482400000000, -0.0005485700000000 ] - [ 0.0010026700000000, 0.0010291300000000, 0.0010388400000000 ] - [ 0.0011326700000000, -0.0002823600000000, 0.0008528300000000 ] - [ -0.0004072200000000, -0.0000067700000000, -0.0009519000000000 ] - [ 0.0002040700000000, -0.0005816400000000, -0.0001500300000000 ] - [ -0.0010746200000000, 0.0011349500000000, 0.0009423700000000 ] - [ -0.0008847800000000, -0.0002409900000000, 0.0008093800000000 ] - [ 0.0004117800000000, -0.0004170800000000, 0.0004022900000000 ] - [ -0.0000877100000000, -0.0003438300000000, 0.0001253400000000 ] - [ -0.0003939600000000, 0.0012314700000000, 0.0057615900000000 ] - [ -0.0001773000000000, 0.0001350400000000, -0.0001567000000000 ] - [ 0.0000563000000000, -0.0014014400000000, -0.0006120600000000 ] - [ 0.0003782200000000, 0.0001014200000000, -0.0000575400000000 ] - [ -0.0005770000000000, 0.0019272600000000, 0.0012720700000000 ] - [ 0.0002521300000000, -0.0007016400000000, 0.0004032700000000 ] - [ 0.0000904500000000, 0.0012736200000000, -0.0009003400000000 ] - [ -0.0002856100000000, -0.0004951900000000, -0.0000322300000000 ] - [ -0.0000397500000000, 0.0014804700000000, 0.0018061300000000 ] - [ 0.0001743100000000, -0.0002966900000000, 0.0006839500000000 ] - [ 0.0003525800000000, -0.0005475800000000, 0.0014628500000000 ] - [ -0.0003057700000000, 0.0001726000000000, 0.0004585500000000 ] - [ -0.0000175900000000, 0.0011034100000000, -0.0008460000000000 ] - [ -0.0007446600000000, -0.0018087900000000, -0.0019670600000000 ] - [ -0.0000563600000000, 0.0009052200000000, -0.0002454100000000 ] - [ -0.0003638100000000, -0.0007975500000000, 0.0001025900000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024536900000000, 0.0000704800000000, -0.0015324700000000 ] - [ -0.0044544900000000, -0.0004393300000000, -0.0009747700000000 ] - [ 0.0008776900000000, -0.0002964800000000, 0.0005841200000000 ] - [ -0.0010057600000000, 0.0004037300000000, 0.0002471900000000 ] - [ 0.0596812300000000, -0.0136202700000000, -0.0140160800000000 ] - [ -0.0030702800000000, -0.0003751900000000, 0.0001816400000000 ] - [ 0.2894255000000000, -0.0121077400000000, 0.0099744400000000 ] - [ -0.0123792700000000, -0.0002305100000000, -0.0021892200000000 ] - [ -0.0008848600000000, 0.0005956800000000, 0.0006249300000000 ] - [ -0.0030346100000000, 0.0001167300000000, 0.0006248800000000 ] - [ 0.0045416800000000, 0.0020067200000000, 0.0025897200000000 ] - [ 0.0003825900000000, 0.0003093800000000, -0.0004071600000000 ] - [ -0.0010402100000000, -0.0014723200000000, 0.0018741600000000 ] - [ -0.0044184400000000, 0.0006457000000000, -0.0013088400000000 ] - [ 0.0020592900000000, -0.0000746200000000, -0.0003191700000000 ] - [ -0.0016842400000000, 0.0006294000000000, -0.0005124400000000 ] - [ 0.0020848800000000, 0.0000292400000000, 0.0002342200000000 ] - [ 0.0006378100000000, -0.0006797300000000, 0.0006796300000000 ] - [ -0.0001858800000000, 0.0004840300000000, 0.0003493600000000 ] - [ -0.0035162200000000, -0.0010343100000000, 0.0008807100000000 ] - [ 0.0181659800000000, -0.0168422000000000, -0.0155094900000000 ] - [ -0.0138003700000000, -0.0006087500000000, -0.0012272200000000 ] - [ 0.0000558900000000, 0.0009350800000000, -0.0003201600000000 ] - [ -0.0019413500000000, 0.0001882900000000, 0.0000279800000000 ] - [ -0.0002111800000000, -0.0008022500000000, 0.0002310100000000 ] - [ 0.0005173200000000, 0.0006385200000000, 0.0002609600000000 ] - [ -0.0002444200000000, -0.0001292700000000, -0.0000203600000000 ] - [ -0.0006351100000000, 0.0006121600000000, 0.0003155300000000 ] - [ 0.0021036800000000, -0.0017558600000000, 0.0038329400000000 ] - [ 0.0011557800000000, -0.0003259400000000, -0.0002599300000000 ] - [ -0.0011889700000000, -0.0010380200000000, 0.0019993200000000 ] - [ -0.0007797800000000, -0.0009493600000000, -0.0001536300000000 ] - [ 0.0029477900000000, 0.0001313000000000, -0.0004214400000000 ] - [ 0.0007246000000000, 0.0004791300000000, 0.0000541700000000 ] - [ -0.0138870500000000, -0.0013197500000000, -0.0024322300000000 ] - [ -0.0043524400000000, 0.0003669900000000, 0.0001493400000000 ] - [ -0.0001416600000000, 0.0085375600000000, 0.0051220200000000 ] - [ -0.0004416200000000, 0.0016577100000000, -0.0007744400000000 ] - [ -0.0000578000000000, -0.0011250100000000, -0.0000782700000000 ] - [ -0.0008329300000000, -0.0006958500000000, 0.0001250800000000 ] - [ 0.0018012300000000, 0.0032651000000000, -0.0009039000000000 ] - [ 0.0069989700000000, -0.0090475500000000, -0.0045725200000000 ] - [ -0.0007503900000000, 0.0016793800000000, -0.0006009900000000 ] - [ -0.0003944300000000, 0.0003165800000000, 0.0002655800000000 ] - [ -0.0002222800000000, 0.0004425000000000, -0.0004622200000000 ] - [ 0.0025064700000000, 0.0001769200000000, -0.0019690500000000 ] - [ -0.0002166300000000, 0.0001141400000000, 0.0002746900000000 ] - [ -0.0004177400000000, -0.0003381400000000, -0.0002123600000000 ] - [ 0.0021256200000000, -0.0001187800000000, -0.0003541700000000 ] - [ -0.0017294800000000, -0.0006047200000000, -0.0005487200000000 ] - [ -0.0002841800000000, -0.0002552300000000, -0.0003499900000000 ] - [ -0.0018805800000000, 0.0000182700000000, -0.0001299400000000 ] - [ 0.0008067400000000, -0.0017500500000000, -0.0006823000000000 ] - [ -0.0001803700000000, -0.0020058300000000, 0.0014677200000000 ] - [ 0.0001094500000000, 0.0006223900000000, 0.0000483400000000 ] - [ -0.0000541200000000, 0.0003233700000000, 0.0002385500000000 ] - [ -0.4787818400000000, 0.0699902200000000, 0.0408492400000000 ] - [ 0.0245525900000000, -0.0317102900000000, -0.0025853900000000 ] - [ 0.0013293000000000, -0.0000365800000000, 0.0001821900000000 ] - [ 0.0024970900000000, 0.0004867400000000, -0.0003568900000000 ] - [ -0.0034366400000000, 0.0001022000000000, 0.0003443300000000 ] - [ -0.0005553600000000, -0.0004642600000000, 0.0005936900000000 ] - [ 0.0018402900000000, 0.0004997500000000, -0.0006353200000000 ] - [ 0.0034424700000000, 0.0001572900000000, -0.0004040300000000 ] - [ 0.0389867200000000, 0.0247865100000000, 0.0290827800000000 ] - [ 0.0047057600000000, 0.0000551100000000, 0.0002155200000000 ] - [ -0.0004092600000000, 0.0000976900000000, -0.0013060100000000 ] - [ 0.0017828200000000, 0.0000220100000000, 0.0000635100000000 ] - [ 0.0468929200000000, -0.0220026900000000, -0.0175552700000000 ] - [ 0.0062925200000000, -0.0031118100000000, 0.0031061400000000 ] - [ -0.0016798100000000, -0.0006053300000000, 0.0007612200000000 ] - [ 0.0006816700000000, -0.0005439000000000, -0.0006842300000000 ] - [ -0.0012427100000000, -0.0060969900000000, -0.0038137700000000 ] - [ 0.0006807000000000, -0.0009638700000000, 0.0010023700000000 ] - [ 0.0001519900000000, 0.0017376800000000, -0.0010274900000000 ] - [ 0.0021731900000000, -0.0000545500000000, 0.0022497600000000 ] - [ -0.0028652400000000, 0.0019807800000000, -0.0025004300000000 ] - [ -0.0008172500000000, -0.0009803500000000, -0.0002683800000000 ] - [ 0.0088253400000000, 0.0001321900000000, -0.0004858100000000 ] - [ 0.0026317400000000, -0.0001360600000000, -0.0006878700000000 ] - [ -0.0015569400000000, -0.0000130400000000, 0.0000842000000000 ] - [ -0.0008422600000000, 0.0006750400000000, -0.0003325000000000 ] - [ 0.0004883600000000, -0.0002418500000000, 0.0000667900000000 ] - [ 0.0024407600000000, -0.0006359100000000, 0.0000771500000000 ] - [ -0.0175687100000000, 0.0012627900000000, 0.0004677600000000 ] - [ 0.0311220500000000, -0.0071981700000000, -0.0321288400000000 ] - [ 0.0008331500000000, -0.0005380000000000, 0.0001728700000000 ] - [ 0.0014831300000000, -0.0004035800000000, 0.0002337700000000 ] - [ -0.0006594100000000, -0.0011581900000000, -0.0012188400000000 ] - [ -0.0001528300000000, 0.0003414700000000, -0.0002642100000000 ] - [ -0.0005222000000000, -0.0006694000000000, -0.0002563700000000 ] - [ 0.0014056100000000, 0.0005320200000000, -0.0003413200000000 ] - [ -0.0004761300000000, 0.0016140000000000, 0.0007521500000000 ] - [ 0.0005822400000000, 0.0009266800000000, -0.0006363500000000 ] - [ -0.0012707800000000, 0.0006865900000000, 0.0001442000000000 ] - [ 0.0023564700000000, 0.0010236500000000, -0.0003733900000000 ] - [ -0.0015992700000000, 0.0051349700000000, 0.0054572100000000 ] - [ 0.0061279500000000, 0.0033141900000000, -0.0021705400000000 ] - [ -0.0000191400000000, -0.0007692800000000, 0.0005215000000000 ] - [ 0.0001994100000000, -0.0004218400000000, 0.0003425200000000 ] - [ -0.0021857800000000, -0.0015105500000000, 0.0003566400000000 ] - [ -0.0015936100000000, 0.0090081700000000, 0.0039068600000000 ] - [ 0.0008873800000000, 0.0006996200000000, -0.0004378900000000 ] - [ 0.0009968500000000, -0.0007542300000000, -0.0005780000000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024508300000000, -0.0000664100000000, 0.0016493600000000 ] - [ 0.0044272100000000, 0.0004322400000000, 0.0011071200000000 ] - [ -0.0008725100000000, 0.0002909200000000, -0.0004338600000000 ] - [ 0.0009984400000000, -0.0003987900000000, -0.0001016800000000 ] - [ -0.0609573300000000, 0.0156399700000000, 0.0152175900000000 ] - [ 0.0030550100000000, 0.0003680400000000, -0.0008094600000000 ] - [ -0.2690776300000000, 0.0107068500000000, -0.0092278000000000 ] - [ 0.0127120900000000, -0.0000758600000000, 0.0028075100000000 ] - [ 0.0012862100000000, -0.0002764300000000, 0.0000137500000000 ] - [ 0.0026176800000000, -0.0004384000000000, 0.0000108700000000 ] - [ -0.0048126900000000, -0.0021840100000000, -0.0024899200000000 ] - [ -0.0000615900000000, -0.0001074800000000, 0.0004739900000000 ] - [ 0.0013805100000000, 0.0012371800000000, -0.0017960500000000 ] - [ 0.0040619200000000, -0.0004445300000000, 0.0013736800000000 ] - [ -0.0020491500000000, 0.0000755100000000, -0.0003139300000000 ] - [ 0.0016735800000000, -0.0006225700000000, -0.0001232900000000 ] - [ -0.0024614100000000, 0.0002940700000000, 0.0004038400000000 ] - [ -0.0002436600000000, 0.0003604500000000, -0.0000468200000000 ] - [ 0.0005895600000000, -0.0001585200000000, 0.0002838500000000 ] - [ 0.0030863700000000, 0.0007069200000000, -0.0002395600000000 ] - [ -0.0181577600000000, 0.0164807300000000, 0.0154475400000000 ] - [ 0.0140613100000000, 0.0008053100000000, 0.0013128400000000 ] - [ 0.0002811600000000, -0.0011278600000000, 0.0003790900000000 ] - [ 0.0015997000000000, 0.0000128700000000, 0.0000405400000000 ] - [ -0.0001149700000000, 0.0002885400000000, 0.0000028100000000 ] - [ -0.0001857800000000, -0.0001206900000000, -0.0000266000000000 ] - [ 0.0005682600000000, -0.0003783600000000, 0.0002520000000000 ] - [ 0.0003081100000000, -0.0001027100000000, -0.0000821800000000 ] - [ -0.0023431300000000, 0.0022972000000000, -0.0036460500000000 ] - [ -0.0009427700000000, -0.0002011300000000, 0.0004691200000000 ] - [ 0.0014118200000000, 0.0015727400000000, -0.0018178200000000 ] - [ 0.0005418200000000, 0.0003995600000000, 0.0003216900000000 ] - [ -0.0035966500000000, -0.0003347900000000, -0.0000854500000000 ] - [ -0.0000653500000000, -0.0002762900000000, -0.0005646000000000 ] - [ 0.0144784200000000, 0.0010736700000000, 0.0018745100000000 ] - [ 0.0036561800000000, -0.0001643600000000, -0.0006596300000000 ] - [ 0.0003210500000000, -0.0083732800000000, -0.0046364400000000 ] - [ 0.0002632800000000, -0.0017129300000000, 0.0011918900000000 ] - [ -0.0001167100000000, 0.0011830900000000, 0.0005001700000000 ] - [ 0.0010057900000000, 0.0006389200000000, 0.0002944300000000 ] - [ -0.0021307400000000, -0.0037600800000000, 0.0011348100000000 ] - [ -0.0068155500000000, 0.0093186300000000, 0.0047895700000000 ] - [ 0.0010647000000000, -0.0021720800000000, 0.0008272900000000 ] - [ 0.0000688700000000, 0.0001905300000000, -0.0000327000000000 ] - [ -0.0000139100000000, 0.0001030700000000, 0.0006258000000000 ] - [ -0.0022388100000000, -0.0007392400000000, 0.0021046800000000 ] - [ 0.0004508000000000, 0.0004303500000000, -0.0001068300000000 ] - [ 0.0001815900000000, -0.0002065900000000, 0.0003775000000000 ] - [ -0.0027836900000000, -0.0000819800000000, -0.0001573500000000 ] - [ 0.0023526100000000, 0.0008119000000000, 0.0000370000000000 ] - [ 0.0009588200000000, 0.0000514100000000, -0.0001603100000000 ] - [ 0.0011955900000000, 0.0001851100000000, -0.0003795900000000 ] - [ -0.0006202600000000, 0.0018075000000000, 0.0011020300000000 ] - [ 0.0000013700000000, 0.0019413000000000, -0.0010435400000000 ] - [ -0.0002825800000000, -0.0005598000000000, 0.0003705000000000 ] - [ 0.0002299200000000, -0.0003810800000000, 0.0001804300000000 ] - [ 0.4580429500000000, -0.0704106800000000, -0.0431366300000000 ] - [ -0.0247951200000000, 0.0322964200000000, 0.0026046400000000 ] - [ -0.0015625200000000, -0.0001809500000000, -0.0002189200000000 ] - [ -0.0022438300000000, -0.0002627400000000, 0.0003165200000000 ] - [ 0.0031958800000000, 0.0002027200000000, -0.0002939100000000 ] - [ 0.0007613700000000, 0.0001605300000000, -0.0005455800000000 ] - [ -0.0016346700000000, -0.0001904700000000, 0.0006743900000000 ] - [ -0.0036250300000000, -0.0004530800000000, 0.0004407400000000 ] - [ -0.0375838100000000, -0.0248738000000000, -0.0289695200000000 ] - [ -0.0053419200000000, 0.0004936800000000, -0.0006911600000000 ] - [ -0.0002730100000000, -0.0006309200000000, 0.0008182400000000 ] - [ -0.0010936300000000, 0.0005237400000000, -0.0005416000000000 ] - [ -0.0459389700000000, 0.0219380900000000, 0.0172283100000000 ] - [ -0.0063323000000000, 0.0026778900000000, -0.0030427000000000 ] - [ 0.0016010400000000, 0.0010216500000000, -0.0006951500000000 ] - [ -0.0006037400000000, 0.0001238000000000, 0.0007454000000000 ] - [ 0.0005069200000000, 0.0058649000000000, 0.0043411300000000 ] - [ 0.0000503500000000, 0.0011154300000000, -0.0004196900000000 ] - [ 0.0005533900000000, -0.0018832500000000, 0.0016144000000000 ] - [ -0.0028881600000000, 0.0002054700000000, -0.0016654000000000 ] - [ 0.0025014800000000, -0.0007118800000000, 0.0015517400000000 ] - [ 0.0011899400000000, -0.0003002700000000, -0.0006993100000000 ] - [ -0.0083818000000000, 0.0011334500000000, -0.0004466100000000 ] - [ -0.0029728600000000, -0.0011227300000000, -0.0002548300000000 ] - [ 0.0017808100000000, -0.0002112900000000, -0.0001236900000000 ] - [ 0.0006055700000000, -0.0004519800000000, 0.0002935900000000 ] - [ -0.0007246000000000, 0.0000199600000000, -0.0001033600000000 ] - [ -0.0021817800000000, 0.0008487900000000, -0.0001143100000000 ] - [ 0.0172273200000000, -0.0012608400000000, -0.0007401400000000 ] - [ -0.0310624400000000, 0.0069971700000000, 0.0326418900000000 ] - [ -0.0006267800000000, 0.0008328600000000, -0.0001252700000000 ] - [ -0.0016751400000000, 0.0000994300000000, -0.0001872500000000 ] - [ 0.0013241200000000, 0.0006005400000000, 0.0007255900000000 ] - [ -0.0005188800000000, 0.0002028100000000, -0.0002134200000000 ] - [ -0.0001588000000000, 0.0001208400000000, -0.0002204600000000 ] - [ -0.0007167900000000, 0.0000152800000000, -0.0001385000000000 ] - [ 0.0005326500000000, -0.0011871200000000, -0.0006859600000000 ] - [ -0.0006363600000000, -0.0013457200000000, 0.0006987700000000 ] - [ 0.0011978200000000, -0.0002694200000000, -0.0000820500000000 ] - [ -0.0022520700000000, -0.0014399100000000, 0.0004327900000000 ] - [ 0.0008353200000000, -0.0052452700000000, -0.0048317300000000 ] - [ -0.0053910600000000, -0.0031654400000000, 0.0027401400000000 ] - [ 0.0007378100000000, 0.0006149400000000, 0.0000633300000000 ] - [ -0.0009193500000000, 0.0005723900000000, 0.0002408400000000 ] - [ 0.0018269000000000, 0.0027694400000000, -0.0012936800000000 ] - [ 0.0020424500000000, -0.0101459100000000, -0.0048221300000000 ] - [ -0.0005282900000000, 0.0005626000000000, -0.0005029000000000 ] - [ -0.0013447000000000, -0.0005094600000000, -0.0003629300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002465600000000, 0.0019513000000000, 0.0005470400000000 ] - [ -0.0001033700000000, 0.0005881000000000, 0.0002923000000000 ] - [ -0.0001461400000000, -0.0018965600000000, 0.0011364000000000 ] - [ 0.0002677700000000, -0.0005048600000000, -0.0001404300000000 ] - [ -0.0113074500000000, 0.0755997300000000, 0.0283669800000000 ] - [ -0.0000797600000000, 0.0009333200000000, -0.0006756300000000 ] - [ -0.0171338900000000, 0.0589666700000000, 0.0133839800000000 ] - [ 0.0117524500000000, 0.0024362700000000, 0.0013164000000000 ] - [ 0.0003398700000000, 0.0012778300000000, -0.0000042200000000 ] - [ 0.0002933600000000, 0.0002831700000000, -0.0001707100000000 ] - [ 0.0007008100000000, -0.0020458200000000, -0.0016624400000000 ] - [ -0.0005945100000000, -0.0009423700000000, 0.0003081700000000 ] - [ -0.0009673800000000, 0.0021962900000000, 0.0008680600000000 ] - [ 0.0003071700000000, 0.0013998600000000, -0.0006523300000000 ] - [ -0.0013866800000000, -0.0020628000000000, -0.0018881100000000 ] - [ -0.0001268400000000, -0.0013368800000000, -0.0000064500000000 ] - [ -0.0002410000000000, -0.0016022500000000, -0.0009605600000000 ] - [ -0.0005502800000000, -0.0001412100000000, 0.0000453100000000 ] - [ 0.0000965600000000, -0.0016730500000000, -0.0005798400000000 ] - [ -0.0011412200000000, -0.0019359800000000, 0.0018338900000000 ] - [ -0.0122217600000000, 0.0015926700000000, -0.0009305200000000 ] - [ 0.0010995400000000, 0.0019810500000000, -0.0018714800000000 ] - [ 0.0009455800000000, -0.0012755200000000, -0.0001143000000000 ] - [ -0.0001332900000000, -0.0014031900000000, 0.0011903500000000 ] - [ -0.0002017400000000, 0.0000748000000000, 0.0000042800000000 ] - [ -0.0003027700000000, -0.0010935800000000, -0.0001223000000000 ] - [ 0.0001649700000000, -0.0004554200000000, 0.0000853900000000 ] - [ -0.0001647200000000, 0.0005851800000000, 0.0000741900000000 ] - [ -0.0008645800000000, 0.0014631400000000, -0.0004888600000000 ] - [ 0.0024877000000000, -0.0022306400000000, -0.0040231300000000 ] - [ 0.0005621700000000, 0.0010219400000000, -0.0008488600000000 ] - [ -0.0000824700000000, -0.0000524500000000, 0.0002982700000000 ] - [ -0.0003614300000000, 0.0002875700000000, -0.0001739300000000 ] - [ 0.0016382800000000, 0.0000790900000000, -0.0002964900000000 ] - [ 0.0072174700000000, 0.0004070700000000, 0.0032129500000000 ] - [ 0.0014652300000000, 0.0000152700000000, -0.0005914600000000 ] - [ 0.0009705900000000, -0.0029001800000000, -0.0017305100000000 ] - [ 0.0001547700000000, -0.0017268000000000, 0.0011206500000000 ] - [ -0.0003346000000000, -0.0008089600000000, 0.0001073500000000 ] - [ -0.0000964300000000, 0.0013573000000000, -0.0004821700000000 ] - [ -0.0010459500000000, -0.0033725500000000, 0.0011349300000000 ] - [ -0.0077731400000000, -0.0119852200000000, -0.0051475300000000 ] - [ 0.0001860600000000, -0.0007604500000000, 0.0003245600000000 ] - [ -0.0000825300000000, -0.0003793300000000, 0.0000108900000000 ] - [ 0.0002536600000000, -0.0006272500000000, 0.0007792700000000 ] - [ 0.0030122300000000, -0.0011288800000000, -0.0040996700000000 ] - [ 0.0000127800000000, 0.0000021400000000, 0.0003175500000000 ] - [ 0.0000175700000000, -0.0001838600000000, 0.0002744000000000 ] - [ -0.0012429100000000, -0.0006460900000000, -0.0000941400000000 ] - [ -0.0068547800000000, 0.0003998100000000, -0.0005024900000000 ] - [ 0.0002083300000000, -0.0003151600000000, -0.0003288900000000 ] - [ -0.0002722100000000, 0.0001605400000000, -0.0002895500000000 ] - [ -0.0001683200000000, -0.0015491600000000, -0.0009313100000000 ] - [ -0.0001720100000000, 0.0008746900000000, -0.0001864400000000 ] - [ 0.0001427600000000, 0.0006455500000000, 0.0007557500000000 ] - [ 0.0001697400000000, -0.0007273300000000, 0.0003889200000000 ] - [ 0.0726092800000000, -0.1677132100000000, -0.0865819200000000 ] - [ -0.0323875400000000, 0.0236580100000000, 0.0017452300000000 ] - [ -0.0001942900000000, -0.0007105700000000, 0.0001234600000000 ] - [ -0.0002602900000000, -0.0001697700000000, 0.0003067400000000 ] - [ -0.0006062700000000, 0.0022128900000000, 0.0028661000000000 ] - [ 0.0006805500000000, 0.0010309000000000, -0.0001121300000000 ] - [ 0.0007333100000000, -0.0005107400000000, -0.0001870700000000 ] - [ -0.0003319600000000, -0.0009498200000000, 0.0007420100000000 ] - [ 0.0178176200000000, -0.0127474300000000, 0.0057266400000000 ] - [ -0.0029523200000000, -0.0022805600000000, 0.0018642200000000 ] - [ -0.0002329500000000, -0.0015995400000000, -0.0002248300000000 ] - [ -0.0000517400000000, -0.0005311000000000, 0.0002093400000000 ] - [ -0.0333229500000000, 0.0007060700000000, 0.0056958400000000 ] - [ -0.0046570000000000, 0.0017872100000000, -0.0020835500000000 ] - [ -0.0002401000000000, -0.0008776800000000, -0.0000683300000000 ] - [ -0.0009324900000000, -0.0000682900000000, 0.0003228900000000 ] - [ -0.0008071300000000, 0.0021281900000000, 0.0019255100000000 ] - [ 0.0005019000000000, 0.0015187200000000, -0.0004008700000000 ] - [ 0.0021709100000000, 0.0000709200000000, -0.0015142900000000 ] - [ -0.0002164900000000, -0.0017513800000000, 0.0008296300000000 ] - [ 0.0003114400000000, -0.0005040600000000, -0.0000446200000000 ] - [ -0.0014359200000000, 0.0012154000000000, 0.0022223900000000 ] - [ -0.0043564200000000, 0.0003445500000000, -0.0009482100000000 ] - [ -0.0011726700000000, -0.0003493800000000, -0.0005321700000000 ] - [ 0.0002231000000000, 0.0015186800000000, 0.0007822000000000 ] - [ 0.0004455400000000, 0.0002101600000000, 0.0002958300000000 ] - [ 0.0000113400000000, 0.0008485800000000, 0.0002377200000000 ] - [ 0.0008504900000000, 0.0011492200000000, -0.0006011400000000 ] - [ 0.0046131200000000, 0.0193791200000000, 0.0294450900000000 ] - [ -0.0009812200000000, -0.0093489800000000, 0.0016892600000000 ] - [ -0.0003127700000000, 0.0005730400000000, -0.0000241600000000 ] - [ -0.0001156600000000, 0.0005953400000000, -0.0004580300000000 ] - [ 0.0000621800000000, 0.0015493200000000, 0.0013067700000000 ] - [ -0.0002022300000000, 0.0007033300000000, -0.0002901600000000 ] - [ -0.0007362700000000, 0.0010519500000000, 0.0001571900000000 ] - [ 0.0006923400000000, 0.0016273400000000, -0.0013792500000000 ] - [ -0.0001518400000000, 0.0018169900000000, 0.0008948600000000 ] - [ 0.0002172500000000, -0.0007719500000000, 0.0002569300000000 ] - [ 0.0008448900000000, 0.0016187100000000, 0.0003515900000000 ] - [ 0.0045596200000000, -0.0000742100000000, -0.0002034300000000 ] - [ 0.0030319500000000, 0.0014453000000000, 0.0018006600000000 ] - [ -0.0004981700000000, -0.0012355800000000, 0.0014033500000000 ] - [ -0.0003309400000000, 0.0004456300000000, -0.0002223800000000 ] - [ -0.0006796000000000, 0.0012594100000000, -0.0002276500000000 ] - [ 0.0004162700000000, 0.0033118100000000, -0.0013773500000000 ] - [ 0.0092853900000000, 0.0194384400000000, 0.0070824200000000 ] - [ 0.0003248600000000, 0.0010372200000000, -0.0005036100000000 ] - [ -0.0003028000000000, -0.0008747500000000, -0.0004822600000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002321000000000, -0.0019448300000000, -0.0004090300000000 ] - [ 0.0001271400000000, -0.0005850700000000, -0.0001425800000000 ] - [ 0.0001421800000000, 0.0019043600000000, -0.0010046000000000 ] - [ -0.0002629200000000, 0.0005034600000000, 0.0002835300000000 ] - [ 0.0088524700000000, -0.0734736800000000, -0.0264498600000000 ] - [ 0.0000933900000000, -0.0009307700000000, 0.0000398500000000 ] - [ 0.0150962500000000, -0.0586858900000000, -0.0128426100000000 ] - [ -0.0113238200000000, -0.0027319700000000, -0.0006862000000000 ] - [ 0.0000625200000000, -0.0009653500000000, 0.0006333800000000 ] - [ -0.0006792800000000, -0.0005968900000000, 0.0008016900000000 ] - [ -0.0010682300000000, 0.0018330800000000, 0.0017174200000000 ] - [ 0.0009290500000000, 0.0011463700000000, -0.0002352100000000 ] - [ 0.0013027100000000, -0.0023866600000000, -0.0008093500000000 ] - [ -0.0006173600000000, -0.0011976600000000, 0.0007259500000000 ] - [ 0.0013814900000000, 0.0020671000000000, 0.0012643600000000 ] - [ 0.0001363700000000, 0.0013357200000000, -0.0006268300000000 ] - [ -0.0001733000000000, 0.0019261200000000, 0.0015969800000000 ] - [ 0.0009527200000000, -0.0001806900000000, 0.0005918900000000 ] - [ 0.0003006100000000, 0.0019943200000000, 0.0012156700000000 ] - [ 0.0007681400000000, 0.0016270500000000, -0.0012096100000000 ] - [ 0.0117659900000000, -0.0016533300000000, 0.0011379500000000 ] - [ -0.0007781500000000, -0.0017740600000000, 0.0019147200000000 ] - [ -0.0006243000000000, 0.0010691100000000, 0.0001840200000000 ] - [ -0.0001827900000000, 0.0016103200000000, -0.0011270600000000 ] - [ -0.0001247400000000, -0.0005856800000000, 0.0002280200000000 ] - [ 0.0006266900000000, 0.0016036000000000, 0.0003541800000000 ] - [ 0.0001615400000000, -0.0000499400000000, 0.0001469800000000 ] - [ -0.0001587500000000, -0.0000810800000000, 0.0001570400000000 ] - [ 0.0006269900000000, -0.0009180000000000, 0.0006518600000000 ] - [ -0.0022375500000000, 0.0016765100000000, 0.0041749300000000 ] - [ -0.0003219800000000, -0.0004712700000000, 0.0010069300000000 ] - [ -0.0001493400000000, -0.0004881000000000, -0.0001298800000000 ] - [ -0.0003255600000000, -0.0004922400000000, -0.0003368000000000 ] - [ -0.0009620000000000, 0.0001251400000000, -0.0002137500000000 ] - [ -0.0064430300000000, -0.0006009700000000, -0.0037408900000000 ] - [ -0.0021209000000000, 0.0001882700000000, 0.0000780300000000 ] - [ -0.0007961500000000, 0.0029066900000000, 0.0021198100000000 ] - [ -0.0003302000000000, 0.0016642900000000, -0.0006982100000000 ] - [ 0.0001556100000000, 0.0008793200000000, 0.0003174200000000 ] - [ 0.0002761900000000, -0.0014265800000000, 0.0009063500000000 ] - [ 0.0007140900000000, 0.0028497900000000, -0.0008988400000000 ] - [ 0.0081796300000000, 0.0124557100000000, 0.0054062100000000 ] - [ 0.0001452500000000, 0.0002388100000000, -0.0000883600000000 ] - [ -0.0002426100000000, 0.0008909800000000, 0.0002212300000000 ] - [ -0.0004893800000000, 0.0011756300000000, -0.0006091100000000 ] - [ -0.0028134800000000, 0.0005749600000000, 0.0042953000000000 ] - [ 0.0002249600000000, 0.0005454400000000, -0.0001527800000000 ] - [ -0.0002531400000000, -0.0003624500000000, -0.0001076600000000 ] - [ 0.0005535300000000, 0.0004443600000000, -0.0004150000000000 ] - [ 0.0075965000000000, -0.0002085400000000, -0.0000068800000000 ] - [ 0.0004669000000000, 0.0001142100000000, -0.0001805300000000 ] - [ -0.0003945900000000, 0.0000418400000000, -0.0002206500000000 ] - [ 0.0003382600000000, 0.0016231000000000, 0.0013577300000000 ] - [ -0.0000047300000000, -0.0009363300000000, 0.0006058700000000 ] - [ -0.0003226500000000, -0.0005940400000000, -0.0003394400000000 ] - [ 0.0000086500000000, 0.0006717300000000, 0.0000281000000000 ] - [ -0.0677531100000000, 0.1652497200000000, 0.0837344100000000 ] - [ 0.0316245200000000, -0.0230240500000000, -0.0017030700000000 ] - [ -0.0000498000000000, 0.0004933400000000, -0.0001619900000000 ] - [ 0.0004870400000000, 0.0003850800000000, -0.0003431600000000 ] - [ 0.0004293700000000, -0.0019174300000000, -0.0028398300000000 ] - [ -0.0004765100000000, -0.0013334200000000, 0.0001499500000000 ] - [ -0.0005365600000000, 0.0008088900000000, 0.0002337700000000 ] - [ 0.0001133300000000, 0.0006476000000000, -0.0006959100000000 ] - [ -0.0172469700000000, 0.0119972900000000, -0.0062711400000000 ] - [ 0.0022592200000000, 0.0028070400000000, -0.0023245300000000 ] - [ -0.0004444900000000, 0.0010544900000000, -0.0002460800000000 ] - [ 0.0007220100000000, 0.0010738100000000, -0.0006880500000000 ] - [ 0.0335006200000000, -0.0000772300000000, -0.0056979000000000 ] - [ 0.0045566100000000, -0.0022021900000000, 0.0021315000000000 ] - [ 0.0001842700000000, 0.0013092100000000, 0.0001315700000000 ] - [ 0.0009897600000000, -0.0003583900000000, -0.0002548300000000 ] - [ 0.0000890900000000, -0.0022421800000000, -0.0013175800000000 ] - [ 0.0002206600000000, -0.0013643700000000, 0.0009806200000000 ] - [ -0.0014354400000000, -0.0002377400000000, 0.0020912100000000 ] - [ -0.0005159900000000, 0.0019121800000000, -0.0002538800000000 ] - [ -0.0006600300000000, 0.0017697500000000, -0.0008933900000000 ] - [ 0.0017833300000000, -0.0024737300000000, -0.0031494200000000 ] - [ 0.0046838400000000, 0.0009251100000000, 0.0000110500000000 ] - [ 0.0008013500000000, -0.0009194300000000, -0.0004084100000000 ] - [ 0.0000241300000000, -0.0017427100000000, -0.0008231200000000 ] - [ -0.0006832000000000, 0.0000115900000000, -0.0003348700000000 ] - [ -0.0002502700000000, -0.0010699500000000, -0.0002768500000000 ] - [ -0.0006320200000000, -0.0009260900000000, 0.0005642100000000 ] - [ -0.0047044300000000, -0.0188730900000000, -0.0288996800000000 ] - [ 0.0012749200000000, 0.0089845600000000, -0.0016516100000000 ] - [ 0.0005165900000000, -0.0002664600000000, 0.0000682200000000 ] - [ -0.0000996700000000, -0.0008974600000000, 0.0005027000000000 ] - [ 0.0006231200000000, -0.0020908300000000, -0.0017815100000000 ] - [ -0.0004769200000000, -0.0001568300000000, -0.0001913800000000 ] - [ 0.0000647000000000, -0.0015956400000000, -0.0006357200000000 ] - [ -0.0000258500000000, -0.0010878300000000, 0.0009065600000000 ] - [ 0.0002213600000000, -0.0014081200000000, -0.0008370000000000 ] - [ -0.0002872400000000, 0.0003552000000000, -0.0001942600000000 ] - [ -0.0009008600000000, -0.0012042600000000, -0.0002904700000000 ] - [ -0.0045475000000000, -0.0003443900000000, 0.0002693300000000 ] - [ -0.0037393900000000, -0.0016317000000000, -0.0012583800000000 ] - [ 0.0012205400000000, 0.0013886200000000, -0.0008156600000000 ] - [ 0.0010643100000000, -0.0005938700000000, 0.0008073900000000 ] - [ -0.0000513500000000, -0.0011083900000000, 0.0008131500000000 ] - [ -0.0007615100000000, -0.0020434400000000, 0.0004323800000000 ] - [ -0.0091629900000000, -0.0211863300000000, -0.0081743200000000 ] - [ 0.0000287100000000, 0.0002219600000000, -0.0004374900000000 ] - [ -0.0000583000000000, -0.0003831800000000, -0.0004581900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012898300000000, 0.0012117900000000, -0.0023255300000000 ] - [ -0.0002807200000000, 0.0003123200000000, 0.0002657200000000 ] - [ 0.0000215400000000, -0.0002801600000000, 0.0006159200000000 ] - [ 0.0002271900000000, -0.0002359100000000, -0.0001407900000000 ] - [ -0.0119857400000000, 0.0289274900000000, 0.0714997400000000 ] - [ 0.0004353200000000, 0.0001970200000000, -0.0015941600000000 ] - [ 0.0029269900000000, 0.0131993100000000, 0.0554808700000000 ] - [ -0.0006520800000000, -0.0019280000000000, 0.0019831500000000 ] - [ 0.0005237900000000, -0.0008073300000000, -0.0019933300000000 ] - [ 0.0000987000000000, 0.0004892700000000, -0.0009851400000000 ] - [ -0.0003997600000000, -0.0014814100000000, -0.0013890800000000 ] - [ -0.0001748500000000, -0.0000230700000000, -0.0001389900000000 ] - [ 0.0021989200000000, -0.0003004500000000, -0.0018740400000000 ] - [ -0.0004075900000000, 0.0011169700000000, -0.0010230200000000 ] - [ -0.0007779500000000, -0.0007405400000000, -0.0015502700000000 ] - [ -0.0000381400000000, -0.0004816100000000, 0.0001606300000000 ] - [ -0.0002753100000000, -0.0007983200000000, -0.0008392600000000 ] - [ -0.0001558300000000, 0.0002349100000000, -0.0003153500000000 ] - [ 0.0003692400000000, -0.0002334600000000, 0.0006961700000000 ] - [ -0.0002582800000000, -0.0008067300000000, 0.0011569900000000 ] - [ -0.0100521800000000, -0.0010202500000000, -0.0013548100000000 ] - [ 0.0096190100000000, -0.0003796100000000, 0.0031869900000000 ] - [ -0.0000745000000000, -0.0001104800000000, 0.0007047300000000 ] - [ -0.0000328100000000, -0.0004181200000000, 0.0005907500000000 ] - [ 0.0000096000000000, 0.0003128500000000, -0.0002242800000000 ] - [ -0.0001325600000000, -0.0005419100000000, -0.0001121900000000 ] - [ 0.0001287000000000, -0.0002587200000000, -0.0000239800000000 ] - [ -0.0000815700000000, 0.0002502200000000, -0.0000613400000000 ] - [ -0.0007462200000000, 0.0017615700000000, -0.0026840200000000 ] - [ 0.0022169700000000, -0.0020521600000000, -0.0038706300000000 ] - [ 0.0002868600000000, 0.0006894700000000, -0.0004942700000000 ] - [ 0.0000872900000000, -0.0000359000000000, 0.0004793000000000 ] - [ -0.0011294200000000, 0.0000619000000000, -0.0008900000000000 ] - [ 0.0012532500000000, 0.0000002000000000, -0.0004512300000000 ] - [ 0.0064848700000000, 0.0027466700000000, 0.0005880400000000 ] - [ -0.0000683300000000, 0.0000675800000000, -0.0001253400000000 ] - [ 0.0005156600000000, -0.0028402600000000, -0.0013563300000000 ] - [ -0.0000721000000000, -0.0003730800000000, 0.0004012600000000 ] - [ -0.0000444900000000, 0.0008530600000000, 0.0011445700000000 ] - [ -0.0000096800000000, -0.0000388600000000, 0.0003418600000000 ] - [ -0.0003358900000000, -0.0006332600000000, 0.0006680800000000 ] - [ -0.0035365300000000, -0.0051801200000000, 0.0057096900000000 ] - [ 0.0003696800000000, -0.0008220500000000, 0.0003746400000000 ] - [ -0.0001352300000000, 0.0000506200000000, 0.0001521100000000 ] - [ -0.0001209100000000, 0.0001131200000000, 0.0001599700000000 ] - [ 0.0004259200000000, -0.0014715200000000, -0.0012235000000000 ] - [ 0.0000606200000000, 0.0001390700000000, 0.0001798600000000 ] - [ -0.0000615500000000, -0.0001902800000000, 0.0001806400000000 ] - [ -0.0005626400000000, -0.0001666700000000, -0.0000260900000000 ] - [ -0.0021371100000000, 0.0001774400000000, -0.0001856000000000 ] - [ 0.0001270300000000, -0.0002242200000000, -0.0003846400000000 ] - [ -0.0000265900000000, 0.0001812600000000, -0.0003492600000000 ] - [ -0.0001417300000000, -0.0015493100000000, -0.0008511100000000 ] - [ -0.0000107000000000, 0.0013303100000000, -0.0006682000000000 ] - [ -0.0002231400000000, 0.0003457900000000, 0.0001704900000000 ] - [ 0.0001357300000000, -0.0003608800000000, 0.0003016200000000 ] - [ 0.0440670700000000, -0.0867364000000000, -0.1489851400000000 ] - [ 0.0025152300000000, -0.0016218600000000, -0.0090565100000000 ] - [ -0.0003186900000000, 0.0000323900000000, 0.0007679200000000 ] - [ -0.0002225500000000, -0.0002159100000000, 0.0007069100000000 ] - [ 0.0002486100000000, 0.0011478200000000, 0.0012364900000000 ] - [ 0.0004029900000000, 0.0001150400000000, 0.0002387200000000 ] - [ -0.0011867400000000, 0.0001616900000000, 0.0005073000000000 ] - [ -0.0000198100000000, -0.0005769000000000, 0.0007479000000000 ] - [ 0.0224582300000000, 0.0063004200000000, -0.0075162800000000 ] - [ -0.0018902100000000, 0.0025746400000000, -0.0028857000000000 ] - [ -0.0011350700000000, 0.0001644900000000, 0.0017845800000000 ] - [ 0.0006223100000000, -0.0004858700000000, 0.0008604900000000 ] - [ -0.0297641400000000, 0.0075263200000000, -0.0026440700000000 ] - [ -0.0003499000000000, 0.0004987300000000, -0.0006169600000000 ] - [ 0.0007863000000000, 0.0002918000000000, 0.0012038500000000 ] - [ -0.0008083400000000, -0.0002170400000000, 0.0006413200000000 ] - [ -0.0003887300000000, 0.0019918400000000, 0.0017256800000000 ] - [ 0.0004025500000000, 0.0003689900000000, 0.0002089300000000 ] - [ -0.0014321200000000, -0.0017551300000000, 0.0013109300000000 ] - [ 0.0006649000000000, -0.0004485800000000, 0.0007101400000000 ] - [ 0.0004504600000000, -0.0003252500000000, 0.0018102000000000 ] - [ -0.0011621900000000, 0.0005963000000000, 0.0024756400000000 ] - [ -0.0038815300000000, 0.0002878800000000, -0.0008501100000000 ] - [ -0.0003330000000000, -0.0005532300000000, -0.0008767500000000 ] - [ 0.0002260500000000, 0.0006940800000000, 0.0006165400000000 ] - [ 0.0001955400000000, -0.0002075700000000, 0.0004965400000000 ] - [ -0.0002032900000000, 0.0001475500000000, -0.0001645500000000 ] - [ 0.0002109700000000, 0.0006952600000000, -0.0004288100000000 ] - [ 0.0039620600000000, 0.0273753000000000, 0.0199985800000000 ] - [ -0.0311127700000000, 0.0045951800000000, 0.0177691200000000 ] - [ 0.0002118000000000, 0.0002483400000000, -0.0002735500000000 ] - [ -0.0002121400000000, 0.0001586000000000, -0.0002825300000000 ] - [ 0.0003624500000000, 0.0008536400000000, 0.0010026000000000 ] - [ -0.0003324900000000, 0.0001154000000000, 0.0001330200000000 ] - [ -0.0003871200000000, -0.0001255200000000, -0.0006608700000000 ] - [ 0.0003227900000000, 0.0007690600000000, -0.0008974600000000 ] - [ -0.0000361800000000, 0.0013847300000000, 0.0008863400000000 ] - [ 0.0000075100000000, -0.0010296300000000, 0.0005907900000000 ] - [ -0.0000233800000000, -0.0000208400000000, -0.0005391900000000 ] - [ 0.0015135600000000, 0.0000472900000000, -0.0003544800000000 ] - [ 0.0027290300000000, 0.0012910100000000, 0.0028842900000000 ] - [ -0.0031147200000000, -0.0017384800000000, 0.0015694000000000 ] - [ 0.0006562800000000, -0.0004674400000000, 0.0000302200000000 ] - [ -0.0005563800000000, 0.0005429500000000, 0.0000043000000000 ] - [ 0.0000209500000000, 0.0010858400000000, -0.0009318700000000 ] - [ 0.0038239600000000, 0.0064010100000000, -0.0019684500000000 ] - [ 0.0003531000000000, 0.0007885600000000, -0.0003504700000000 ] - [ -0.0004341300000000, -0.0007120800000000, -0.0003230400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012693900000000, -0.0011848800000000, 0.0023948100000000 ] - [ 0.0003006700000000, -0.0003096600000000, -0.0001167900000000 ] - [ -0.0000238900000000, 0.0002783300000000, -0.0004712600000000 ] - [ -0.0002233600000000, 0.0002336200000000, 0.0002817500000000 ] - [ 0.0100043600000000, -0.0266798900000000, -0.0707886900000000 ] - [ -0.0004265500000000, -0.0001936600000000, 0.0009575600000000 ] - [ -0.0050343300000000, -0.0127984900000000, -0.0551871400000000 ] - [ 0.0010538300000000, 0.0015863000000000, -0.0013453600000000 ] - [ -0.0001282100000000, 0.0011281200000000, 0.0026289300000000 ] - [ -0.0004833700000000, -0.0008091100000000, 0.0016169100000000 ] - [ 0.0000542800000000, 0.0012674500000000, 0.0014421700000000 ] - [ 0.0005026700000000, 0.0002247300000000, 0.0002058000000000 ] - [ -0.0018824100000000, 0.0001056600000000, 0.0019379300000000 ] - [ 0.0000990900000000, -0.0009126000000000, 0.0010901100000000 ] - [ 0.0007689900000000, 0.0007380300000000, 0.0009108100000000 ] - [ 0.0000434800000000, 0.0004769500000000, -0.0007924200000000 ] - [ -0.0001337700000000, 0.0011136600000000, 0.0014700600000000 ] - [ 0.0005554600000000, -0.0005509300000000, 0.0009458600000000 ] - [ 0.0000287700000000, 0.0005477100000000, -0.0000649800000000 ] - [ -0.0001305800000000, 0.0004868700000000, -0.0005219600000000 ] - [ 0.0096043900000000, 0.0009508500000000, 0.0015344700000000 ] - [ -0.0092639100000000, 0.0005794600000000, -0.0031066200000000 ] - [ 0.0004016600000000, -0.0000972500000000, -0.0006340400000000 ] - [ -0.0002881900000000, 0.0006178900000000, -0.0005199500000000 ] - [ -0.0003331300000000, -0.0008148700000000, 0.0004545900000000 ] - [ 0.0004563400000000, 0.0010441900000000, 0.0003409000000000 ] - [ 0.0001979800000000, -0.0002491800000000, 0.0002560000000000 ] - [ -0.0002419200000000, 0.0002562400000000, 0.0002921800000000 ] - [ 0.0005077600000000, -0.0012077300000000, 0.0028336800000000 ] - [ -0.0019709500000000, 0.0015071400000000, 0.0040218500000000 ] - [ -0.0000455500000000, -0.0001379600000000, 0.0006513400000000 ] - [ -0.0003210600000000, -0.0005075400000000, -0.0003133500000000 ] - [ 0.0004383900000000, -0.0002646500000000, 0.0003786400000000 ] - [ -0.0005742600000000, 0.0002010400000000, -0.0000594800000000 ] - [ -0.0057178600000000, -0.0029668600000000, -0.0010834300000000 ] - [ -0.0005954700000000, 0.0001351000000000, -0.0003848800000000 ] - [ -0.0003364600000000, 0.0028577400000000, 0.0017487500000000 ] - [ -0.0001037600000000, 0.0003107900000000, 0.0000188000000000 ] - [ -0.0001322800000000, -0.0007933900000000, -0.0007278900000000 ] - [ 0.0001891900000000, -0.0000155800000000, 0.0000750400000000 ] - [ 0.0000093200000000, 0.0001199400000000, -0.0004362100000000 ] - [ 0.0038738800000000, 0.0056905000000000, -0.0055081000000000 ] - [ -0.0000414300000000, 0.0003051700000000, -0.0001401100000000 ] - [ -0.0001891900000000, 0.0004570900000000, 0.0000790300000000 ] - [ -0.0001137400000000, 0.0004300400000000, 0.0000080100000000 ] - [ -0.0001839200000000, 0.0009361300000000, 0.0013817800000000 ] - [ 0.0001758500000000, 0.0004062700000000, -0.0000128500000000 ] - [ -0.0001724200000000, -0.0003549500000000, -0.0000122100000000 ] - [ -0.0001176800000000, -0.0000376200000000, -0.0004841400000000 ] - [ 0.0028012900000000, 0.0000274000000000, -0.0003242700000000 ] - [ 0.0005477400000000, 0.0000217300000000, -0.0001255500000000 ] - [ -0.0006405800000000, 0.0000217900000000, -0.0001619600000000 ] - [ 0.0003120900000000, 0.0016156300000000, 0.0012722600000000 ] - [ -0.0001653400000000, -0.0013824200000000, 0.0010829600000000 ] - [ 0.0000445200000000, -0.0002870900000000, 0.0002500700000000 ] - [ 0.0000423300000000, 0.0002991700000000, 0.0001180100000000 ] - [ -0.0399271300000000, 0.0835658100000000, 0.1475280900000000 ] - [ -0.0026730800000000, 0.0018255200000000, 0.0089805800000000 ] - [ 0.0000807500000000, -0.0002533800000000, -0.0008081500000000 ] - [ 0.0004498300000000, 0.0004336200000000, -0.0007450600000000 ] - [ -0.0004428200000000, -0.0008434600000000, -0.0011854000000000 ] - [ -0.0001954000000000, -0.0004140700000000, -0.0001948800000000 ] - [ 0.0013934700000000, 0.0001363300000000, -0.0004604100000000 ] - [ -0.0001983400000000, 0.0002724700000000, -0.0007004600000000 ] - [ -0.0217381200000000, -0.0068656300000000, 0.0068477900000000 ] - [ 0.0011987800000000, -0.0020189200000000, 0.0023937300000000 ] - [ 0.0004677800000000, -0.0007125800000000, -0.0022624400000000 ] - [ 0.0000424200000000, 0.0010289000000000, -0.0013386300000000 ] - [ 0.0298673900000000, -0.0071396600000000, 0.0028893500000000 ] - [ 0.0002763700000000, -0.0009136400000000, 0.0006756500000000 ] - [ -0.0008405800000000, 0.0001319800000000, -0.0011453800000000 ] - [ 0.0008664400000000, -0.0002038000000000, -0.0005755700000000 ] - [ -0.0003354700000000, -0.0021157500000000, -0.0011220700000000 ] - [ 0.0003229100000000, -0.0002137000000000, 0.0003727100000000 ] - [ 0.0021734300000000, 0.0016069300000000, -0.0007291900000000 ] - [ -0.0014023800000000, 0.0005992400000000, -0.0001287200000000 ] - [ -0.0007970100000000, 0.0015783100000000, -0.0027464700000000 ] - [ 0.0015121400000000, -0.0018511200000000, -0.0034096100000000 ] - [ 0.0042128900000000, 0.0009782600000000, -0.0000919300000000 ] - [ -0.0000308600000000, -0.0007113200000000, -0.0000658800000000 ] - [ 0.0000184300000000, -0.0009110200000000, -0.0006538200000000 ] - [ -0.0004306200000000, 0.0004233600000000, -0.0005322800000000 ] - [ -0.0000343800000000, -0.0003666500000000, 0.0001254800000000 ] - [ 0.0000197800000000, -0.0004697200000000, 0.0003876000000000 ] - [ -0.0040400100000000, -0.0265725400000000, -0.0197086000000000 ] - [ 0.0308369800000000, -0.0047819200000000, -0.0174350300000000 ] - [ -0.0000082300000000, 0.0000562100000000, 0.0003156300000000 ] - [ 0.0000015700000000, -0.0004582000000000, 0.0003239100000000 ] - [ 0.0003177900000000, -0.0013895600000000, -0.0014739600000000 ] - [ -0.0003449000000000, 0.0004276600000000, -0.0006101100000000 ] - [ -0.0002883900000000, -0.0004144600000000, 0.0001819100000000 ] - [ 0.0003507300000000, -0.0002234800000000, 0.0004159900000000 ] - [ 0.0001050600000000, -0.0009684300000000, -0.0008257200000000 ] - [ -0.0000754500000000, 0.0006045100000000, -0.0005255100000000 ] - [ -0.0000363000000000, 0.0004442000000000, 0.0006034700000000 ] - [ -0.0014468600000000, -0.0004714700000000, 0.0004183700000000 ] - [ -0.0034354900000000, -0.0014784400000000, -0.0023227100000000 ] - [ 0.0038139200000000, 0.0018777300000000, -0.0009802700000000 ] - [ 0.0000737500000000, 0.0003159500000000, 0.0005489300000000 ] - [ -0.0001732000000000, -0.0003865200000000, 0.0005757500000000 ] - [ -0.0003736100000000, 0.0001808200000000, -0.0000131100000000 ] - [ -0.0034776600000000, -0.0076844000000000, 0.0010633200000000 ] - [ 0.0000028200000000, 0.0004723300000000, -0.0005939400000000 ] - [ 0.0000727100000000, -0.0005487300000000, -0.0006203500000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009673100000000, 0.0002413900000000, 0.0002265200000000 ] - [ -0.0007945800000000, -0.0000593100000000, -0.0000690500000000 ] - [ 0.0017347000000000, -0.0006170100000000, -0.0002952300000000 ] - [ -0.0060951900000000, 0.0012044300000000, 0.0003255000000000 ] - [ 0.0019996000000000, 0.0000240200000000, -0.0003571600000000 ] - [ -0.0017671500000000, -0.0002791200000000, -0.0002689600000000 ] - [ 0.0049481800000000, -0.0024317200000000, -0.0023005000000000 ] - [ 0.0006194600000000, -0.0005929500000000, 0.0007794100000000 ] - [ -0.0001760300000000, -0.0006379300000000, 0.0009463400000000 ] - [ -0.0022557900000000, -0.0005896300000000, 0.0004182200000000 ] - [ 0.2883554400000000, -0.0289574200000000, -0.0004861900000000 ] - [ -0.0144810800000000, 0.0035698400000000, 0.0026074400000000 ] - [ -0.0002012700000000, -0.0002289600000000, 0.0000840400000000 ] - [ -0.0025500700000000, 0.0005635300000000, -0.0004194600000000 ] - [ 0.0676758600000000, 0.0181423000000000, 0.0185425700000000 ] - [ -0.0035168700000000, -0.0000813400000000, -0.0012870200000000 ] - [ 0.0230588700000000, 0.0130172100000000, 0.0158346500000000 ] - [ -0.0128915900000000, 0.0030298500000000, 0.0010576500000000 ] - [ -0.0003698100000000, 0.0024421500000000, -0.0019847800000000 ] - [ -0.0046398400000000, -0.0006637300000000, 0.0013460700000000 ] - [ 0.0021956600000000, -0.0002114900000000, 0.0001441900000000 ] - [ 0.0002349800000000, 0.0005458400000000, -0.0002694500000000 ] - [ -0.0003267100000000, -0.0007260300000000, -0.0006894900000000 ] - [ -0.0034164300000000, -0.0002038000000000, -0.0004687000000000 ] - [ 0.0013048600000000, 0.0034979000000000, -0.0015711500000000 ] - [ 0.0007782500000000, -0.0001195900000000, -0.0001947200000000 ] - [ -0.0002654100000000, 0.0003419400000000, -0.0002010900000000 ] - [ -0.0005524500000000, 0.0001457900000000, 0.0005231600000000 ] - [ -0.0003440100000000, 0.0005707300000000, -0.0004232600000000 ] - [ 0.0005768600000000, -0.0004369200000000, -0.0002711700000000 ] - [ -0.0007082600000000, -0.0003852000000000, 0.0006558700000000 ] - [ -0.0003999500000000, -0.0003860700000000, -0.0001116500000000 ] - [ 0.0026135100000000, -0.0001182800000000, -0.0002412500000000 ] - [ 0.0004799200000000, -0.0001548800000000, -0.0004389200000000 ] - [ -0.0011280200000000, -0.0011547300000000, -0.0009288200000000 ] - [ -0.0018907300000000, -0.0000008200000000, -0.0001270600000000 ] - [ 0.0018108600000000, -0.0113504800000000, -0.0077429700000000 ] - [ -0.0001822700000000, -0.0020724100000000, 0.0018097900000000 ] - [ 0.0001390900000000, 0.0008716700000000, 0.0003387000000000 ] - [ -0.0003657600000000, 0.0006464100000000, 0.0001381700000000 ] - [ -0.0003169400000000, -0.0008779800000000, 0.0002056900000000 ] - [ 0.0025514300000000, 0.0024841300000000, -0.0008478900000000 ] - [ -0.0010342400000000, 0.0000010500000000, -0.0005684000000000 ] - [ -0.0007146100000000, 0.0009014200000000, 0.0002996500000000 ] - [ 0.0018055800000000, -0.0026928500000000, 0.0039840300000000 ] - [ 0.0079254500000000, 0.0063946100000000, 0.0100020700000000 ] - [ -0.0005449200000000, -0.0002029200000000, 0.0006612300000000 ] - [ -0.0006347100000000, -0.0007082000000000, -0.0000560700000000 ] - [ 0.0035940700000000, 0.0002199100000000, -0.0005474000000000 ] - [ -0.0021817200000000, 0.0004320800000000, 0.0002720800000000 ] - [ -0.0018488100000000, 0.0010353900000000, 0.0007156400000000 ] - [ -0.0048774900000000, 0.0000129700000000, -0.0001990500000000 ] - [ 0.0000610100000000, 0.0018955600000000, 0.0011890500000000 ] - [ -0.0004706900000000, 0.0017587700000000, -0.0007809600000000 ] - [ 0.0000636000000000, -0.0006322700000000, 0.0005201900000000 ] - [ -0.0002358100000000, -0.0006025400000000, 0.0001940800000000 ] - [ -0.0032126600000000, -0.0006321800000000, 0.0003268900000000 ] - [ -0.0007759900000000, 0.0006888700000000, -0.0003186700000000 ] - [ 0.0006097900000000, 0.0003093000000000, -0.0001289300000000 ] - [ 0.0017029000000000, 0.0001170000000000, -0.0001266700000000 ] - [ -0.5006249900000000, -0.0105671200000000, -0.0556589600000000 ] - [ 0.0388396200000000, 0.0301262500000000, 0.0025149800000000 ] - [ 0.0008587900000000, 0.0000071500000000, -0.0000570200000000 ] - [ 0.0018300900000000, -0.0000478000000000, -0.0000118000000000 ] - [ -0.0006175200000000, 0.0008986100000000, 0.0009142700000000 ] - [ -0.0001024300000000, 0.0002789700000000, -0.0002797000000000 ] - [ -0.0004352800000000, 0.0000485200000000, -0.0004637300000000 ] - [ 0.0011886000000000, 0.0002724300000000, -0.0001433000000000 ] - [ -0.0020797700000000, 0.0069249200000000, 0.0039989000000000 ] - [ 0.0005786400000000, 0.0009759500000000, -0.0006652400000000 ] - [ -0.0015212200000000, 0.0009485500000000, -0.0003763200000000 ] - [ 0.0006722000000000, 0.0005789400000000, -0.0001002300000000 ] - [ 0.0465503700000000, 0.0133527700000000, 0.0221397900000000 ] - [ 0.0063311100000000, 0.0018252200000000, -0.0039875800000000 ] - [ 0.0000021700000000, -0.0004745000000000, 0.0001962100000000 ] - [ 0.0006618100000000, -0.0009968700000000, 0.0006613800000000 ] - [ -0.0021213700000000, -0.0016975100000000, 0.0006016800000000 ] - [ -0.0005181700000000, -0.0002902700000000, -0.0000688800000000 ] - [ 0.0020610000000000, 0.0013489800000000, 0.0000218300000000 ] - [ 0.0010133700000000, -0.0008513800000000, -0.0005631700000000 ] - [ -0.0172977100000000, 0.0047100300000000, 0.0041374200000000 ] - [ 0.0308853100000000, -0.0010331900000000, 0.0307119000000000 ] - [ 0.0016212100000000, -0.0007516700000000, 0.0012785900000000 ] - [ 0.0036666200000000, 0.0003352600000000, 0.0000712400000000 ] - [ -0.0019747300000000, 0.0000998200000000, -0.0000761100000000 ] - [ -0.0004587500000000, -0.0007379800000000, 0.0004800200000000 ] - [ 0.0013699800000000, 0.0001302700000000, 0.0001829200000000 ] - [ 0.0028071200000000, -0.0001863300000000, 0.0003290000000000 ] - [ 0.0302816400000000, -0.0331267200000000, -0.0285489100000000 ] - [ 0.0050940700000000, -0.0006598600000000, -0.0001792400000000 ] - [ -0.0006593900000000, -0.0005066600000000, 0.0009978700000000 ] - [ 0.0020095000000000, 0.0004387100000000, -0.0003575000000000 ] - [ -0.0014281800000000, -0.0045571700000000, -0.0047354100000000 ] - [ 0.0068937600000000, -0.0041791000000000, 0.0024792800000000 ] - [ -0.0020380500000000, -0.0014615200000000, 0.0011665300000000 ] - [ 0.0027885400000000, -0.0001690400000000, -0.0011078600000000 ] - [ -0.0007451700000000, -0.0013285400000000, -0.0005098300000000 ] - [ 0.0007401900000000, -0.0010501200000000, 0.0009837800000000 ] - [ -0.0004402900000000, 0.0007199600000000, -0.0002258900000000 ] - [ 0.0008862400000000, 0.0006158400000000, 0.0012899400000000 ] - [ -0.0029417900000000, 0.0024100500000000, -0.0026161000000000 ] - [ -0.0002302200000000, -0.0085682500000000, -0.0117982300000000 ] - [ 0.0019443900000000, 0.0001059100000000, -0.0009473700000000 ] - [ 0.0030193300000000, -0.0002087600000000, -0.0011059200000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009649600000000, -0.0002352800000000, -0.0000821700000000 ] - [ 0.0007912800000000, 0.0000581300000000, 0.0002104900000000 ] - [ -0.0017322700000000, 0.0006136700000000, 0.0004418800000000 ] - [ 0.0060506100000000, -0.0011897800000000, -0.0001766100000000 ] - [ -0.0019956400000000, -0.0000191000000000, -0.0002754900000000 ] - [ 0.0017594300000000, 0.0002757800000000, -0.0003639600000000 ] - [ -0.0052962800000000, 0.0027295900000000, 0.0029124400000000 ] - [ -0.0002294600000000, 0.0002781100000000, -0.0001486800000000 ] - [ 0.0005850000000000, 0.0009514900000000, -0.0003042200000000 ] - [ 0.0018440200000000, 0.0002706200000000, 0.0002168700000000 ] - [ -0.2679857200000000, 0.0261995800000000, 0.0007118000000000 ] - [ 0.0147587200000000, -0.0033888400000000, -0.0025306700000000 ] - [ 0.0005341700000000, 0.0000256400000000, -0.0000146100000000 ] - [ 0.0022034500000000, -0.0003577200000000, 0.0004824300000000 ] - [ -0.0701499100000000, -0.0206813500000000, -0.0220343200000000 ] - [ 0.0034963700000000, 0.0000817100000000, 0.0006415000000000 ] - [ -0.0231458700000000, -0.0126251100000000, -0.0150953500000000 ] - [ 0.0132468700000000, -0.0033361600000000, -0.0004382900000000 ] - [ 0.0007848900000000, -0.0020858300000000, 0.0025952800000000 ] - [ 0.0042014500000000, 0.0003297000000000, -0.0007014800000000 ] - [ -0.0025038600000000, 0.0000070400000000, -0.0000768000000000 ] - [ 0.0000800200000000, -0.0003417900000000, 0.0003397600000000 ] - [ 0.0006667500000000, 0.0005171600000000, 0.0007438000000000 ] - [ 0.0030683600000000, 0.0004048800000000, 0.0005378000000000 ] - [ -0.0016387700000000, -0.0039944800000000, 0.0017893300000000 ] - [ -0.0004678400000000, 0.0005864000000000, 0.0004230700000000 ] - [ 0.0005885300000000, -0.0008451300000000, 0.0004319600000000 ] - [ 0.0002255700000000, 0.0003572000000000, -0.0002879500000000 ] - [ 0.0001051000000000, -0.0000233700000000, 0.0005852200000000 ] - [ -0.0003361100000000, -0.0001106100000000, 0.0004317100000000 ] - [ 0.0009359200000000, 0.0009236200000000, -0.0004842500000000 ] - [ 0.0001642300000000, -0.0001582300000000, 0.0002789300000000 ] - [ -0.0032677700000000, -0.0000802200000000, -0.0002727900000000 ] - [ 0.0001801100000000, 0.0003578900000000, -0.0000713200000000 ] - [ 0.0017985100000000, 0.0009371100000000, 0.0004101300000000 ] - [ 0.0012077300000000, 0.0002048600000000, -0.0003828300000000 ] - [ -0.0015888700000000, 0.0113217700000000, 0.0080861200000000 ] - [ 0.0000031900000000, 0.0020128600000000, -0.0013928400000000 ] - [ -0.0003138600000000, -0.0008069200000000, 0.0000816200000000 ] - [ 0.0005376900000000, -0.0007020700000000, 0.0002787800000000 ] - [ -0.0000110900000000, 0.0003637600000000, 0.0000264300000000 ] - [ -0.0021987900000000, -0.0019368400000000, 0.0010937300000000 ] - [ 0.0013475400000000, -0.0005102400000000, 0.0007933700000000 ] - [ 0.0003867700000000, -0.0003868200000000, -0.0000667700000000 ] - [ -0.0020518000000000, 0.0032192000000000, -0.0038087300000000 ] - [ -0.0079408000000000, -0.0068295700000000, -0.0095777800000000 ] - [ 0.0007775600000000, 0.0007471200000000, -0.0004916100000000 ] - [ 0.0003972800000000, 0.0001613800000000, 0.0002243000000000 ] - [ -0.0042413800000000, -0.0004278200000000, 0.0000417100000000 ] - [ 0.0027928200000000, -0.0002352300000000, -0.0007944700000000 ] - [ 0.0025224700000000, -0.0012289700000000, -0.0012167400000000 ] - [ 0.0041832000000000, 0.0001927300000000, -0.0003088700000000 ] - [ 0.0001170700000000, -0.0018262200000000, -0.0007647100000000 ] - [ 0.0002908300000000, -0.0018193200000000, 0.0012012900000000 ] - [ -0.0002366500000000, 0.0006879300000000, -0.0001011800000000 ] - [ 0.0004101600000000, 0.0005435200000000, 0.0002253000000000 ] - [ 0.0034204000000000, 0.0004005000000000, -0.0003658400000000 ] - [ 0.0005422300000000, -0.0004678600000000, 0.0002804400000000 ] - [ -0.0008497800000000, -0.0005229700000000, 0.0000892200000000 ] - [ -0.0014560900000000, 0.0001018800000000, 0.0000878100000000 ] - [ 0.4812426700000000, 0.0164477000000000, 0.0584581100000000 ] - [ -0.0389853200000000, -0.0309937700000000, -0.0025514400000000 ] - [ -0.0006554300000000, 0.0002930700000000, 0.0000998800000000 ] - [ -0.0020210400000000, -0.0002505300000000, 0.0000546000000000 ] - [ 0.0012821700000000, -0.0014313500000000, -0.0013816300000000 ] - [ -0.0005683600000000, 0.0002633300000000, -0.0001973600000000 ] - [ -0.0002456800000000, -0.0005908100000000, -0.0000169000000000 ] - [ -0.0005063200000000, 0.0002704600000000, -0.0003340500000000 ] - [ 0.0021097400000000, -0.0064382700000000, -0.0038987700000000 ] - [ -0.0006336400000000, -0.0014005700000000, 0.0007311400000000 ] - [ 0.0014425400000000, -0.0005263300000000, 0.0004378200000000 ] - [ -0.0005979500000000, -0.0010002200000000, 0.0001627700000000 ] - [ -0.0462626700000000, -0.0132548300000000, -0.0210529400000000 ] - [ -0.0056051400000000, -0.0016626800000000, 0.0045859400000000 ] - [ 0.0007195000000000, 0.0003188700000000, 0.0003845100000000 ] - [ -0.0013786900000000, 0.0011435500000000, -0.0000745600000000 ] - [ 0.0017622900000000, 0.0029513700000000, -0.0015306600000000 ] - [ 0.0008848300000000, -0.0009454700000000, -0.0008655800000000 ] - [ -0.0016910700000000, -0.0000755300000000, -0.0009577200000000 ] - [ -0.0013644100000000, -0.0004157700000000, -0.0003786900000000 ] - [ 0.0174983000000000, -0.0046062100000000, -0.0038652900000000 ] - [ -0.0312988300000000, 0.0012206200000000, -0.0312358800000000 ] - [ -0.0018534900000000, 0.0005203000000000, -0.0013025900000000 ] - [ -0.0034009600000000, -0.0001110800000000, -0.0001066900000000 ] - [ 0.0017569500000000, 0.0002021300000000, 0.0001211900000000 ] - [ 0.0006677400000000, 0.0004317400000000, -0.0004344200000000 ] - [ -0.0011669100000000, 0.0001711800000000, -0.0001353900000000 ] - [ -0.0029943100000000, -0.0001157900000000, -0.0002826500000000 ] - [ -0.0291598800000000, 0.0320191100000000, 0.0276181900000000 ] - [ -0.0057405200000000, 0.0012019300000000, -0.0003070800000000 ] - [ -0.0000286000000000, -0.0000410500000000, -0.0014614500000000 ] - [ -0.0013181900000000, 0.0001103300000000, -0.0001242900000000 ] - [ 0.0014513500000000, 0.0049437700000000, 0.0047603200000000 ] - [ -0.0069459100000000, 0.0037678100000000, -0.0024117800000000 ] - [ 0.0019514000000000, 0.0018695900000000, -0.0011055200000000 ] - [ -0.0026750500000000, -0.0002419800000000, 0.0011680200000000 ] - [ 0.0000142700000000, 0.0011665400000000, 0.0010870700000000 ] - [ -0.0000071800000000, 0.0012058900000000, -0.0004046100000000 ] - [ 0.0011529600000000, -0.0008652100000000, 0.0008118400000000 ] - [ -0.0016030800000000, -0.0004643200000000, -0.0007051500000000 ] - [ 0.0025800700000000, -0.0011312000000000, 0.0016691300000000 ] - [ 0.0007380100000000, 0.0072527600000000, 0.0107482200000000 ] - [ -0.0015857000000000, 0.0011508400000000, 0.0000018900000000 ] - [ -0.0033631500000000, -0.0010489100000000, 0.0001592400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002956400000000, -0.0017923400000000, 0.0003270600000000 ] - [ -0.0000701400000000, -0.0003508800000000, -0.0000465800000000 ] - [ -0.0002947600000000, 0.0015423300000000, -0.0010395300000000 ] - [ -0.0001656500000000, 0.0009579500000000, 0.0008426000000000 ] - [ 0.0006434100000000, -0.0021047900000000, -0.0010473200000000 ] - [ -0.0002837600000000, -0.0009850200000000, -0.0001603400000000 ] - [ -0.0006022300000000, -0.0016529800000000, -0.0012178200000000 ] - [ 0.0004385700000000, -0.0010521600000000, 0.0008403600000000 ] - [ -0.0008828500000000, -0.0011212000000000, 0.0000886300000000 ] - [ -0.0004166100000000, -0.0011977600000000, 0.0009525600000000 ] - [ -0.0250498100000000, 0.0602282100000000, 0.0155456100000000 ] - [ -0.0078138900000000, 0.0045602000000000, 0.0003174400000000 ] - [ 0.0000291200000000, -0.0015757800000000, -0.0006470200000000 ] - [ 0.0001097700000000, -0.0008543500000000, 0.0008894000000000 ] - [ 0.0148949500000000, 0.0697625300000000, 0.0257326000000000 ] - [ 0.0000053700000000, 0.0008919700000000, -0.0008351800000000 ] - [ 0.0076515100000000, -0.0024894700000000, -0.0034158700000000 ] - [ 0.0024120900000000, 0.0011332300000000, -0.0019091600000000 ] - [ 0.0009986100000000, 0.0019699100000000, 0.0007753500000000 ] - [ 0.0002883600000000, 0.0014776200000000, -0.0005451400000000 ] - [ -0.0001916500000000, -0.0015757300000000, -0.0010803000000000 ] - [ 0.0009798100000000, -0.0004728800000000, 0.0000707900000000 ] - [ 0.0000811800000000, 0.0008250400000000, -0.0004154600000000 ] - [ -0.0002057400000000, 0.0010181300000000, -0.0007197300000000 ] - [ 0.0011771300000000, 0.0002467900000000, 0.0014521400000000 ] - [ -0.0011950500000000, -0.0033313700000000, -0.0004168600000000 ] - [ 0.0002249600000000, -0.0007608500000000, 0.0002575200000000 ] - [ -0.0003182200000000, 0.0004085900000000, 0.0002500900000000 ] - [ 0.0002363400000000, -0.0002042900000000, 0.0005889300000000 ] - [ 0.0005347200000000, -0.0009219100000000, -0.0007875000000000 ] - [ -0.0000257000000000, 0.0000205300000000, 0.0003269500000000 ] - [ -0.0001849100000000, -0.0004915000000000, -0.0000177400000000 ] - [ -0.0009456300000000, -0.0006665100000000, 0.0004055400000000 ] - [ -0.0007617300000000, -0.0001370700000000, -0.0004012600000000 ] - [ -0.0006701200000000, -0.0002468700000000, -0.0003573600000000 ] - [ -0.0005137300000000, -0.0000188000000000, -0.0002089600000000 ] - [ -0.0016970500000000, -0.0026751400000000, -0.0029035300000000 ] - [ -0.0002086000000000, -0.0010783300000000, 0.0010438700000000 ] - [ -0.0000112900000000, -0.0005990300000000, 0.0001357100000000 ] - [ 0.0003412800000000, -0.0002637700000000, 0.0003443400000000 ] - [ -0.0004191200000000, -0.0012174400000000, 0.0002021000000000 ] - [ -0.0007195800000000, -0.0022299300000000, -0.0004829500000000 ] - [ -0.0000591100000000, -0.0000505300000000, -0.0001044000000000 ] - [ -0.0001875300000000, 0.0002731200000000, 0.0001838600000000 ] - [ -0.0001323600000000, -0.0010894200000000, 0.0023166900000000 ] - [ 0.0060718400000000, 0.0024714800000000, -0.0090665800000000 ] - [ 0.0002611500000000, 0.0005432700000000, -0.0003571200000000 ] - [ -0.0000682500000000, -0.0000888100000000, 0.0000222700000000 ] - [ 0.0006136100000000, -0.0003936500000000, 0.0002651400000000 ] - [ 0.0047372400000000, 0.0006664500000000, 0.0002839900000000 ] - [ 0.0021352600000000, -0.0004110100000000, -0.0004363400000000 ] - [ -0.0003100600000000, 0.0002795800000000, -0.0002793300000000 ] - [ 0.0003942000000000, -0.0017229200000000, -0.0007812600000000 ] - [ 0.0000006000000000, 0.0001322500000000, 0.0001183300000000 ] - [ -0.0003173900000000, 0.0007000500000000, 0.0007830300000000 ] - [ -0.0000240800000000, -0.0000709400000000, 0.0000174800000000 ] - [ 0.0000746000000000, 0.0019533400000000, 0.0009764200000000 ] - [ -0.0004291700000000, 0.0012912700000000, -0.0002832700000000 ] - [ 0.0005666900000000, 0.0003075300000000, 0.0000776200000000 ] - [ 0.0003664500000000, 0.0008569200000000, -0.0003276100000000 ] - [ -0.0118221100000000, -0.1430806900000000, -0.0802769400000000 ] - [ 0.0304527900000000, 0.0113608800000000, 0.0011243100000000 ] - [ 0.0002451100000000, 0.0007163400000000, 0.0001735600000000 ] - [ -0.0002069400000000, 0.0002962900000000, -0.0003621800000000 ] - [ 0.0005833700000000, 0.0012152800000000, 0.0010973700000000 ] - [ -0.0004609600000000, 0.0009002400000000, -0.0006291900000000 ] - [ 0.0000288500000000, 0.0009366000000000, 0.0000490700000000 ] - [ 0.0002967600000000, 0.0011544200000000, -0.0008636600000000 ] - [ 0.0007024000000000, 0.0017271300000000, 0.0011210900000000 ] - [ -0.0001243400000000, 0.0006798100000000, -0.0004570100000000 ] - [ 0.0008349000000000, 0.0008985000000000, -0.0003445400000000 ] - [ 0.0008698200000000, 0.0003966400000000, -0.0000716500000000 ] - [ 0.0207464600000000, -0.0091892400000000, 0.0057761500000000 ] - [ 0.0032246100000000, 0.0004489700000000, -0.0015362100000000 ] - [ 0.0001150700000000, 0.0010635400000000, 0.0005116300000000 ] - [ -0.0009764600000000, 0.0008611500000000, -0.0001479700000000 ] - [ -0.0008294000000000, 0.0011305700000000, -0.0017988600000000 ] - [ 0.0011004500000000, 0.0020673600000000, 0.0003239100000000 ] - [ 0.0009083700000000, 0.0008074900000000, -0.0003485600000000 ] - [ -0.0000189000000000, -0.0004248400000000, -0.0004845700000000 ] - [ 0.0013967800000000, 0.0188933300000000, 0.0266989000000000 ] - [ -0.0071638400000000, -0.0090545900000000, -0.0046980200000000 ] - [ -0.0004658100000000, -0.0007673800000000, -0.0000089700000000 ] - [ -0.0001927000000000, -0.0006893200000000, 0.0004051800000000 ] - [ -0.0001501900000000, 0.0012796100000000, 0.0009206200000000 ] - [ -0.0004825800000000, 0.0006871300000000, -0.0001304200000000 ] - [ 0.0001212300000000, -0.0002575800000000, 0.0002139800000000 ] - [ -0.0000732300000000, -0.0006481300000000, 0.0005492700000000 ] - [ -0.0244102600000000, -0.0028878500000000, 0.0104296900000000 ] - [ 0.0007900900000000, -0.0026409500000000, 0.0020831600000000 ] - [ -0.0003340700000000, -0.0013153300000000, -0.0001121900000000 ] - [ 0.0002798300000000, -0.0008362700000000, 0.0004351000000000 ] - [ -0.0033235800000000, 0.0032346600000000, 0.0020930000000000 ] - [ -0.0003481700000000, -0.0005924800000000, 0.0005349500000000 ] - [ -0.0012251100000000, 0.0000487600000000, -0.0008644500000000 ] - [ -0.0028019500000000, -0.0011180400000000, 0.0001005800000000 ] - [ -0.0003024100000000, 0.0015179100000000, 0.0013023000000000 ] - [ 0.0001838400000000, 0.0001321600000000, 0.0003938000000000 ] - [ 0.0005908600000000, -0.0013147400000000, 0.0003473100000000 ] - [ 0.0000149400000000, -0.0003905900000000, 0.0008618500000000 ] - [ -0.0005034800000000, 0.0018229800000000, -0.0019283200000000 ] - [ -0.0075000200000000, 0.0024091900000000, 0.0121663700000000 ] - [ -0.0009784900000000, 0.0009045700000000, -0.0002739200000000 ] - [ -0.0001802400000000, -0.0010063600000000, -0.0005184100000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002953900000000, 0.0017846100000000, -0.0001853100000000 ] - [ 0.0000719500000000, 0.0003507400000000, 0.0001907500000000 ] - [ 0.0002921500000000, -0.0015438400000000, 0.0011839300000000 ] - [ 0.0001890300000000, -0.0009641900000000, -0.0007008600000000 ] - [ -0.0006493500000000, 0.0021046500000000, 0.0004146200000000 ] - [ 0.0002867700000000, 0.0009853700000000, -0.0004739000000000 ] - [ 0.0001841600000000, 0.0019790400000000, 0.0018591600000000 ] - [ -0.0000377800000000, 0.0007346800000000, -0.0002085100000000 ] - [ 0.0012717100000000, 0.0014365600000000, 0.0005411700000000 ] - [ 0.0000254900000000, 0.0008806400000000, -0.0003193900000000 ] - [ 0.0232955600000000, -0.0596387700000000, -0.0154166300000000 ] - [ 0.0081564100000000, -0.0043678000000000, -0.0002486100000000 ] - [ 0.0002945400000000, 0.0013702200000000, 0.0007125200000000 ] - [ -0.0004275600000000, 0.0010554800000000, -0.0008192200000000 ] - [ -0.0168394500000000, -0.0705813100000000, -0.0279781100000000 ] - [ 0.0000051600000000, -0.0008926100000000, 0.0002065400000000 ] - [ -0.0081604200000000, 0.0027245400000000, 0.0039405100000000 ] - [ -0.0020201300000000, -0.0014583700000000, 0.0025669000000000 ] - [ -0.0006013600000000, -0.0016641600000000, -0.0001325100000000 ] - [ -0.0006720200000000, -0.0017955100000000, 0.0011760200000000 ] - [ -0.0001452100000000, 0.0013734100000000, 0.0011492200000000 ] - [ -0.0006481500000000, 0.0006745000000000, -0.0000025400000000 ] - [ 0.0002436200000000, -0.0010243500000000, 0.0004899400000000 ] - [ -0.0001118600000000, -0.0008164500000000, 0.0007887600000000 ] - [ -0.0014927500000000, -0.0007514900000000, -0.0012094400000000 ] - [ 0.0015248500000000, 0.0038514800000000, 0.0006450000000000 ] - [ 0.0001015600000000, 0.0002505700000000, -0.0000242600000000 ] - [ -0.0000067900000000, 0.0001006000000000, -0.0000189700000000 ] - [ -0.0004693100000000, 0.0007465600000000, -0.0004168000000000 ] - [ -0.0003009300000000, 0.0003782200000000, 0.0009570300000000 ] - [ 0.0002640800000000, 0.0005269400000000, -0.0001613600000000 ] - [ -0.0000499000000000, -0.0000541000000000, 0.0001857700000000 ] - [ 0.0002608100000000, 0.0004584900000000, -0.0009091600000000 ] - [ 0.0014382100000000, 0.0003402600000000, -0.0001079500000000 ] - [ 0.0013462300000000, 0.0000491100000000, -0.0001484500000000 ] - [ -0.0001545400000000, 0.0002215100000000, -0.0003012900000000 ] - [ 0.0018509200000000, 0.0027858600000000, 0.0033513600000000 ] - [ 0.0000323400000000, 0.0010231100000000, -0.0006278700000000 ] - [ -0.0001674700000000, 0.0006547500000000, 0.0002831500000000 ] - [ -0.0001624600000000, 0.0002028600000000, 0.0000752700000000 ] - [ 0.0000943600000000, 0.0007130700000000, 0.0000303700000000 ] - [ 0.0010509500000000, 0.0027348400000000, 0.0007005900000000 ] - [ 0.0003887200000000, -0.0004585000000000, 0.0003394200000000 ] - [ -0.0001360200000000, 0.0002314600000000, 0.0000479900000000 ] - [ -0.0001001600000000, 0.0016411800000000, -0.0021605700000000 ] - [ -0.0057977700000000, -0.0029842100000000, 0.0092460900000000 ] - [ -0.0000238700000000, 0.0000030200000000, 0.0005227800000000 ] - [ -0.0001664500000000, -0.0004563600000000, 0.0001447600000000 ] - [ -0.0013043900000000, 0.0001906800000000, -0.0007776500000000 ] - [ -0.0040539000000000, -0.0004647400000000, -0.0007923900000000 ] - [ -0.0014542600000000, 0.0002033900000000, -0.0000764300000000 ] - [ -0.0003565300000000, -0.0000787100000000, -0.0002308400000000 ] - [ -0.0002180000000000, 0.0017756000000000, 0.0011980300000000 ] - [ -0.0001765800000000, -0.0001926600000000, 0.0003017100000000 ] - [ 0.0001382900000000, -0.0006372100000000, -0.0003612100000000 ] - [ 0.0002024700000000, 0.0000122000000000, 0.0004024800000000 ] - [ 0.0001729700000000, -0.0021739500000000, -0.0010143000000000 ] - [ 0.0001921600000000, -0.0010749900000000, 0.0002465200000000 ] - [ -0.0008009100000000, -0.0005289800000000, -0.0001141200000000 ] - [ -0.0001341400000000, -0.0006377100000000, 0.0002896900000000 ] - [ 0.0152470700000000, 0.1439260300000000, 0.0824210700000000 ] - [ -0.0306693100000000, -0.0118324800000000, -0.0011369700000000 ] - [ -0.0000392100000000, -0.0004151200000000, -0.0001285400000000 ] - [ -0.0000044200000000, -0.0005991200000000, 0.0004069300000000 ] - [ 0.0000959400000000, -0.0017634500000000, -0.0015804700000000 ] - [ -0.0002174800000000, -0.0003577600000000, 0.0001521400000000 ] - [ -0.0007001000000000, -0.0014775600000000, -0.0005253300000000 ] - [ 0.0003747400000000, -0.0006116500000000, 0.0003857100000000 ] - [ -0.0006230500000000, -0.0013381600000000, -0.0010727900000000 ] - [ 0.0000563700000000, -0.0011049100000000, 0.0005228000000000 ] - [ -0.0008893700000000, -0.0004742500000000, 0.0004074900000000 ] - [ -0.0008096700000000, -0.0008216900000000, 0.0001368500000000 ] - [ -0.0214857300000000, 0.0088446800000000, -0.0051929000000000 ] - [ -0.0025181700000000, -0.0002982900000000, 0.0021308800000000 ] - [ 0.0006150300000000, -0.0012165000000000, 0.0000721700000000 ] - [ 0.0002439100000000, -0.0007050800000000, 0.0007295600000000 ] - [ 0.0004700100000000, 0.0001380300000000, 0.0008421500000000 ] - [ -0.0007464200000000, -0.0033404000000000, -0.0012673300000000 ] - [ -0.0005562800000000, 0.0004507000000000, -0.0005969000000000 ] - [ -0.0003418700000000, -0.0008368600000000, -0.0004580300000000 ] - [ -0.0011281800000000, -0.0193611000000000, -0.0272491800000000 ] - [ 0.0070285500000000, 0.0092794600000000, 0.0046773700000000 ] - [ 0.0002249500000000, 0.0005500100000000, -0.0000342400000000 ] - [ 0.0004180600000000, 0.0009088400000000, -0.0004446600000000 ] - [ -0.0000476200000000, -0.0009795500000000, -0.0008767300000000 ] - [ 0.0006859700000000, -0.0009860600000000, 0.0001711500000000 ] - [ 0.0000825000000000, 0.0005586700000000, -0.0001706400000000 ] - [ -0.0001409900000000, 0.0003464800000000, -0.0005059000000000 ] - [ 0.0252655300000000, 0.0025124900000000, -0.0109788200000000 ] - [ -0.0014774600000000, 0.0031976600000000, -0.0025706200000000 ] - [ -0.0003399500000000, 0.0007724600000000, -0.0003720500000000 ] - [ 0.0003907400000000, 0.0013799800000000, -0.0009123900000000 ] - [ 0.0034022000000000, -0.0028011400000000, -0.0020045600000000 ] - [ 0.0002808500000000, 0.0001740400000000, -0.0004746200000000 ] - [ 0.0011722700000000, 0.0003784500000000, 0.0009263900000000 ] - [ 0.0028545700000000, 0.0006964200000000, -0.0000345600000000 ] - [ -0.0004223000000000, -0.0016689700000000, -0.0007176900000000 ] - [ 0.0005415300000000, 0.0000211100000000, 0.0001889200000000 ] - [ 0.0001411500000000, 0.0011565500000000, 0.0002341000000000 ] - [ -0.0007460900000000, 0.0005439800000000, -0.0002807900000000 ] - [ 0.0001525700000000, -0.0005702900000000, 0.0009935700000000 ] - [ 0.0077697800000000, -0.0036856400000000, -0.0129741000000000 ] - [ 0.0013318000000000, 0.0003580500000000, -0.0006667600000000 ] - [ -0.0001820800000000, -0.0002572300000000, -0.0004211100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000949900000000, -0.0004813200000000, 0.0009834300000000 ] - [ -0.0000931700000000, -0.0001822300000000, -0.0002560300000000 ] - [ 0.0001031500000000, 0.0009864700000000, -0.0033418600000000 ] - [ -0.0005038000000000, 0.0008923400000000, 0.0011567700000000 ] - [ 0.0009685700000000, -0.0015533600000000, -0.0021307800000000 ] - [ -0.0000390500000000, -0.0004262600000000, 0.0002619900000000 ] - [ -0.0009426700000000, -0.0016803900000000, -0.0013338300000000 ] - [ 0.0008215300000000, -0.0003645100000000, 0.0002859900000000 ] - [ 0.0005696100000000, 0.0004206600000000, 0.0011528500000000 ] - [ -0.0004419900000000, -0.0007917800000000, 0.0008722600000000 ] - [ 0.0033919500000000, 0.0145612800000000, 0.0587427200000000 ] - [ 0.0000693900000000, -0.0016283300000000, 0.0017009500000000 ] - [ 0.0000372600000000, -0.0003920000000000, 0.0006128000000000 ] - [ -0.0001348600000000, -0.0005598500000000, 0.0010060100000000 ] - [ 0.0140626200000000, 0.0255296300000000, 0.0715403100000000 ] - [ -0.0002500800000000, 0.0004423000000000, -0.0016888100000000 ] - [ 0.0100742700000000, -0.0028345100000000, -0.0015932100000000 ] - [ -0.0098459100000000, 0.0009905500000000, 0.0032572800000000 ] - [ -0.0007704300000000, 0.0008152500000000, -0.0009186900000000 ] - [ 0.0004917000000000, 0.0016421900000000, -0.0012319200000000 ] - [ -0.0001530700000000, -0.0012950600000000, -0.0014317300000000 ] - [ 0.0008400200000000, 0.0001464200000000, -0.0007000700000000 ] - [ 0.0004288400000000, -0.0011261400000000, -0.0023834500000000 ] - [ -0.0005567500000000, 0.0012333100000000, -0.0016683900000000 ] - [ 0.0000048100000000, 0.0025946200000000, -0.0009843600000000 ] - [ -0.0016161400000000, -0.0039845700000000, -0.0004660800000000 ] - [ 0.0002012200000000, -0.0006170600000000, 0.0002410800000000 ] - [ -0.0002401200000000, 0.0004106500000000, 0.0003231200000000 ] - [ -0.0004700200000000, 0.0005113500000000, -0.0009544300000000 ] - [ 0.0005970900000000, -0.0007861700000000, -0.0009686400000000 ] - [ -0.0001291000000000, -0.0000947900000000, 0.0004886500000000 ] - [ -0.0001254500000000, -0.0003111000000000, 0.0002174100000000 ] - [ 0.0006808000000000, 0.0002794600000000, -0.0004734300000000 ] - [ -0.0008964500000000, -0.0000131300000000, -0.0003296000000000 ] - [ -0.0006332600000000, -0.0003900200000000, -0.0005185300000000 ] - [ -0.0004073700000000, 0.0000534900000000, -0.0002470500000000 ] - [ -0.0009159500000000, -0.0046570900000000, -0.0019479900000000 ] - [ -0.0000119000000000, -0.0003611700000000, 0.0004785800000000 ] - [ -0.0000595100000000, 0.0004741400000000, 0.0006635100000000 ] - [ 0.0002995600000000, -0.0007521200000000, 0.0007843100000000 ] - [ -0.0000897400000000, 0.0000999800000000, -0.0000343100000000 ] - [ -0.0025843100000000, -0.0034618600000000, 0.0008176100000000 ] - [ -0.0000682800000000, -0.0001881900000000, -0.0001725100000000 ] - [ -0.0003019900000000, 0.0004453700000000, 0.0001716700000000 ] - [ 0.0012508000000000, 0.0010365700000000, 0.0012754800000000 ] - [ 0.0094714400000000, -0.0095279400000000, -0.0073626500000000 ] - [ 0.0002223600000000, 0.0005252500000000, -0.0004045500000000 ] - [ -0.0001442300000000, -0.0003464200000000, -0.0003004200000000 ] - [ -0.0005458900000000, 0.0007669500000000, -0.0006492900000000 ] - [ 0.0070805600000000, 0.0007015500000000, 0.0007124300000000 ] - [ 0.0021138400000000, -0.0002942800000000, -0.0003866400000000 ] - [ -0.0020000800000000, -0.0000740700000000, -0.0001682800000000 ] - [ 0.0003868100000000, -0.0015150200000000, -0.0007165300000000 ] - [ -0.0002559200000000, 0.0011107000000000, -0.0005784000000000 ] - [ 0.0001882400000000, 0.0003049900000000, -0.0001703500000000 ] - [ -0.0000209400000000, -0.0001217200000000, 0.0001068400000000 ] - [ 0.0004501800000000, 0.0027492500000000, 0.0011924500000000 ] - [ -0.0006883500000000, 0.0002408100000000, 0.0001981000000000 ] - [ -0.0002693500000000, -0.0001578300000000, -0.0003130200000000 ] - [ 0.0003245800000000, 0.0005909100000000, -0.0003220100000000 ] - [ -0.0547395500000000, -0.0802642000000000, -0.1585194800000000 ] - [ -0.0023795600000000, -0.0012805400000000, -0.0096431400000000 ] - [ 0.0001793700000000, 0.0003019300000000, -0.0002766300000000 ] - [ -0.0001408900000000, 0.0002338800000000, -0.0005476700000000 ] - [ 0.0007044600000000, 0.0011682000000000, 0.0014317600000000 ] - [ -0.0005000500000000, 0.0002220700000000, 0.0000614600000000 ] - [ -0.0003558600000000, -0.0002619000000000, -0.0008207200000000 ] - [ 0.0004556600000000, 0.0008473700000000, -0.0009226200000000 ] - [ 0.0004418700000000, 0.0023668300000000, 0.0011021500000000 ] - [ -0.0002112800000000, 0.0000846800000000, -0.0001647700000000 ] - [ -0.0008907300000000, -0.0003043000000000, -0.0000842300000000 ] - [ 0.0008925900000000, 0.0001882400000000, -0.0001104200000000 ] - [ 0.0279109100000000, 0.0046166600000000, -0.0034272800000000 ] - [ 0.0008897300000000, 0.0007390500000000, -0.0005698300000000 ] - [ 0.0003680800000000, -0.0000894500000000, -0.0003482800000000 ] - [ -0.0006968400000000, 0.0008446600000000, -0.0006246900000000 ] - [ -0.0005663700000000, -0.0011678900000000, 0.0005630000000000 ] - [ 0.0013581000000000, 0.0023163300000000, 0.0004186100000000 ] - [ 0.0009759600000000, 0.0010103200000000, -0.0003055900000000 ] - [ -0.0000637500000000, -0.0006778900000000, -0.0005556500000000 ] - [ 0.0007405800000000, 0.0287969800000000, 0.0197201500000000 ] - [ 0.0320194500000000, -0.0015711300000000, 0.0174383000000000 ] - [ 0.0005336100000000, -0.0003185300000000, 0.0004611900000000 ] - [ -0.0003139900000000, -0.0006106200000000, 0.0007055000000000 ] - [ -0.0001956100000000, 0.0010499200000000, 0.0013341000000000 ] - [ -0.0003549200000000, 0.0000029700000000, 0.0011781300000000 ] - [ -0.0000581100000000, 0.0003431300000000, 0.0008931500000000 ] - [ 0.0001954700000000, -0.0006789700000000, 0.0009253000000000 ] - [ -0.0212361900000000, 0.0105802700000000, -0.0074707500000000 ] - [ 0.0019311300000000, 0.0021934000000000, -0.0027763100000000 ] - [ 0.0001360800000000, -0.0001825900000000, 0.0015292100000000 ] - [ 0.0001730000000000, -0.0009597500000000, 0.0012134400000000 ] - [ -0.0037440600000000, 0.0023038500000000, 0.0025470200000000 ] - [ 0.0041064800000000, -0.0024158100000000, 0.0013609500000000 ] - [ 0.0005526600000000, -0.0006141700000000, 0.0003603900000000 ] - [ -0.0042886100000000, -0.0009751000000000, -0.0000222700000000 ] - [ -0.0002912200000000, 0.0012124500000000, 0.0014220600000000 ] - [ 0.0002540900000000, -0.0006316600000000, 0.0010994900000000 ] - [ -0.0003858300000000, -0.0000369200000000, 0.0021894000000000 ] - [ 0.0003261600000000, -0.0001285400000000, 0.0014728900000000 ] - [ -0.0008576500000000, -0.0004511500000000, -0.0006297500000000 ] - [ -0.0117369000000000, 0.0125830100000000, 0.0171207200000000 ] - [ -0.0009513500000000, 0.0007959800000000, -0.0002817700000000 ] - [ 0.0007937500000000, -0.0007672400000000, -0.0005433000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000992000000000, 0.0004800600000000, -0.0008393400000000 ] - [ 0.0000966900000000, 0.0001820800000000, 0.0004004300000000 ] - [ -0.0001085200000000, -0.0009784400000000, 0.0034819200000000 ] - [ 0.0005339700000000, -0.0008971300000000, -0.0010121000000000 ] - [ -0.0009749200000000, 0.0015470100000000, 0.0014962700000000 ] - [ 0.0000472400000000, 0.0004268300000000, -0.0008941900000000 ] - [ 0.0005080800000000, 0.0020106600000000, 0.0019817000000000 ] - [ -0.0004198700000000, 0.0000446700000000, 0.0003493100000000 ] - [ -0.0001709700000000, -0.0000993100000000, -0.0005237900000000 ] - [ 0.0000538900000000, 0.0004746200000000, -0.0002395700000000 ] - [ -0.0054793700000000, -0.0144883400000000, -0.0583589600000000 ] - [ 0.0002569100000000, 0.0018562100000000, -0.0016380100000000 ] - [ 0.0002897900000000, 0.0001910400000000, -0.0005425800000000 ] - [ -0.0001795700000000, 0.0007580200000000, -0.0009326500000000 ] - [ -0.0165846300000000, -0.0274241100000000, -0.0736435800000000 ] - [ 0.0002660900000000, -0.0004403900000000, 0.0010610400000000 ] - [ -0.0106186900000000, 0.0030347900000000, 0.0020995000000000 ] - [ 0.0102692900000000, -0.0013066900000000, -0.0026358300000000 ] - [ 0.0011627300000000, -0.0005074800000000, 0.0015649400000000 ] - [ -0.0008637200000000, -0.0019501500000000, 0.0018590300000000 ] - [ -0.0001886700000000, 0.0010921800000000, 0.0014981800000000 ] - [ -0.0005070300000000, 0.0000515900000000, 0.0007697400000000 ] - [ -0.0001056100000000, 0.0009268300000000, 0.0024544100000000 ] - [ 0.0002457800000000, -0.0010263000000000, 0.0017368300000000 ] - [ -0.0003295400000000, -0.0031172900000000, 0.0012204300000000 ] - [ 0.0019543800000000, 0.0045180700000000, 0.0007020000000000 ] - [ 0.0001256900000000, 0.0001064600000000, -0.0000067200000000 ] - [ -0.0000832700000000, 0.0000976400000000, -0.0000919800000000 ] - [ 0.0002351800000000, 0.0000328200000000, 0.0011238900000000 ] - [ -0.0003645600000000, 0.0002423900000000, 0.0011391300000000 ] - [ 0.0003680000000000, 0.0006423600000000, -0.0003221800000000 ] - [ -0.0001087900000000, -0.0002336800000000, -0.0000477000000000 ] - [ -0.0013688600000000, -0.0004844800000000, -0.0000364800000000 ] - [ 0.0015741600000000, 0.0002164000000000, -0.0001796100000000 ] - [ 0.0013132900000000, 0.0001922400000000, 0.0000124200000000 ] - [ -0.0002598000000000, 0.0001493700000000, -0.0002623300000000 ] - [ 0.0010775800000000, 0.0047689800000000, 0.0024150200000000 ] - [ -0.0001647400000000, 0.0003032400000000, -0.0000584000000000 ] - [ -0.0001185900000000, -0.0004166500000000, -0.0002422600000000 ] - [ -0.0001190700000000, 0.0006865100000000, -0.0003605800000000 ] - [ -0.0002353800000000, -0.0006051200000000, 0.0002670800000000 ] - [ 0.0028768000000000, 0.0039554100000000, -0.0005703900000000 ] - [ 0.0003994900000000, -0.0003211300000000, 0.0004084800000000 ] - [ -0.0000215800000000, 0.0000597800000000, 0.0000611200000000 ] - [ -0.0014830500000000, -0.0004855400000000, -0.0011046400000000 ] - [ -0.0091795700000000, 0.0090075400000000, 0.0076621600000000 ] - [ 0.0000164700000000, 0.0000229100000000, 0.0005685400000000 ] - [ -0.0000892900000000, -0.0001973700000000, 0.0004673100000000 ] - [ -0.0001444000000000, -0.0009650000000000, 0.0001394800000000 ] - [ -0.0063572800000000, -0.0004908500000000, -0.0012087800000000 ] - [ -0.0014279000000000, 0.0000856800000000, -0.0001287500000000 ] - [ 0.0013452400000000, 0.0002781800000000, -0.0003422000000000 ] - [ -0.0002103400000000, 0.0015636700000000, 0.0011309400000000 ] - [ 0.0000805000000000, -0.0011764700000000, 0.0010013100000000 ] - [ -0.0003688600000000, -0.0002456800000000, 0.0005887200000000 ] - [ 0.0001997800000000, 0.0000656800000000, 0.0003119400000000 ] - [ -0.0001895700000000, -0.0029552300000000, -0.0012294900000000 ] - [ 0.0004505400000000, -0.0000221200000000, -0.0002352600000000 ] - [ 0.0000294000000000, -0.0000635700000000, 0.0002766500000000 ] - [ -0.0000948600000000, -0.0003707100000000, 0.0002850700000000 ] - [ 0.0593703000000000, 0.0824510800000000, 0.1597065200000000 ] - [ 0.0026848400000000, 0.0009808500000000, 0.0097283100000000 ] - [ 0.0000227800000000, -0.0000004600000000, 0.0003213400000000 ] - [ -0.0000739500000000, -0.0005345400000000, 0.0005915500000000 ] - [ -0.0000214000000000, -0.0017164600000000, -0.0019132400000000 ] - [ -0.0001786900000000, 0.0003236500000000, -0.0005400600000000 ] - [ -0.0003187800000000, -0.0002834100000000, 0.0003446800000000 ] - [ 0.0002155100000000, -0.0003024300000000, 0.0004446000000000 ] - [ -0.0003624500000000, -0.0019836600000000, -0.0010617200000000 ] - [ 0.0001417000000000, -0.0005065900000000, 0.0002290300000000 ] - [ 0.0008346100000000, 0.0007254000000000, 0.0001536600000000 ] - [ -0.0008341500000000, -0.0006134500000000, 0.0001780800000000 ] - [ -0.0285166200000000, -0.0047244400000000, 0.0037970900000000 ] - [ -0.0001684600000000, -0.0005916800000000, 0.0011560900000000 ] - [ 0.0003620900000000, -0.0000643000000000, 0.0009301500000000 ] - [ -0.0000371700000000, -0.0006832100000000, 0.0012025800000000 ] - [ 0.0002159200000000, 0.0024391300000000, -0.0015076300000000 ] - [ -0.0010085700000000, -0.0036000700000000, -0.0013647500000000 ] - [ -0.0006265700000000, 0.0002490600000000, -0.0006397600000000 ] - [ -0.0002978300000000, -0.0005830100000000, -0.0003874900000000 ] - [ -0.0004698700000000, -0.0295483200000000, -0.0199867500000000 ] - [ -0.0327525300000000, 0.0017703200000000, -0.0177659100000000 ] - [ -0.0007755400000000, 0.0001011500000000, -0.0005067100000000 ] - [ 0.0005307200000000, 0.0008275900000000, -0.0007430900000000 ] - [ 0.0000018400000000, -0.0007476400000000, -0.0012876600000000 ] - [ 0.0005594000000000, -0.0002983400000000, -0.0011335300000000 ] - [ 0.0002612100000000, -0.0000413400000000, -0.0008482000000000 ] - [ -0.0004149200000000, 0.0003761900000000, -0.0008802600000000 ] - [ 0.0219331900000000, -0.0111145500000000, 0.0072139500000000 ] - [ -0.0026240700000000, -0.0016634000000000, 0.0023140300000000 ] - [ -0.0008059800000000, -0.0003605300000000, -0.0020121400000000 ] - [ 0.0004931700000000, 0.0014987100000000, -0.0016884200000000 ] - [ 0.0038240900000000, -0.0018491900000000, -0.0024569000000000 ] - [ -0.0042037400000000, 0.0020122300000000, -0.0013015300000000 ] - [ -0.0006056100000000, 0.0010382000000000, -0.0003004600000000 ] - [ 0.0043110000000000, 0.0005485800000000, 0.0000865800000000 ] - [ -0.0004327300000000, -0.0013592900000000, -0.0008329400000000 ] - [ 0.0004706600000000, 0.0007897800000000, -0.0005174300000000 ] - [ 0.0011215700000000, -0.0001207600000000, -0.0016025100000000 ] - [ -0.0010591600000000, 0.0002779700000000, -0.0008904900000000 ] - [ 0.0005056200000000, 0.0017008900000000, -0.0003100100000000 ] - [ 0.0118359900000000, -0.0135940100000000, -0.0177141300000000 ] - [ 0.0013013500000000, 0.0004677200000000, -0.0006569700000000 ] - [ -0.0011656200000000, -0.0004961400000000, -0.0003942000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001832600000000, 0.0003257100000000, -0.0010015200000000 ] - [ 0.0043615900000000, 0.0007868800000000, 0.0015246800000000 ] - [ 0.0002031500000000, -0.0000070400000000, 0.0003181600000000 ] - [ -0.0001914300000000, 0.0000186400000000, 0.0000977900000000 ] - [ -0.0131242700000000, 0.0030121800000000, 0.0010339800000000 ] - [ -0.0011316700000000, -0.0001143200000000, -0.0005618700000000 ] - [ 0.1291936700000000, 0.0593732400000000, 0.0689419200000000 ] - [ -0.0045703600000000, 0.0003171300000000, 0.0000615000000000 ] - [ 0.0012150800000000, 0.0000734900000000, -0.0009361300000000 ] - [ -0.0023537600000000, -0.0005216500000000, 0.0004680900000000 ] - [ 0.0012600900000000, -0.0000689800000000, 0.0002264900000000 ] - [ -0.0004033900000000, 0.0001036100000000, 0.0000463100000000 ] - [ 0.0014152700000000, -0.0001588400000000, 0.0005066300000000 ] - [ -0.0022988900000000, 0.0003624400000000, -0.0004491900000000 ] - [ 0.0002215400000000, -0.0000347800000000, -0.0004468500000000 ] - [ -0.0006111400000000, 0.0000688700000000, -0.0003983800000000 ] - [ 0.0015023400000000, -0.0002724000000000, -0.0002262800000000 ] - [ -0.0002655800000000, -0.0000993100000000, 0.0002326400000000 ] - [ 0.0008203200000000, -0.0001419100000000, 0.0003361300000000 ] - [ -0.0017789400000000, -0.0005286400000000, 0.0006583600000000 ] - [ 0.1050934600000000, -0.0581149500000000, -0.0525433100000000 ] - [ -0.0050544700000000, 0.0001667500000000, 0.0005748000000000 ] - [ 0.0008057700000000, 0.0002232500000000, 0.0001077600000000 ] - [ -0.0013036300000000, 0.0001502400000000, -0.0001147600000000 ] - [ -0.0002667100000000, -0.0005355800000000, 0.0001404800000000 ] - [ 0.0007429200000000, 0.0011401100000000, 0.0002215900000000 ] - [ -0.0000255000000000, -0.0003848100000000, -0.0000150500000000 ] - [ -0.0003226400000000, 0.0005837300000000, -0.0000121300000000 ] - [ 0.0000426800000000, -0.0005161000000000, 0.0012177000000000 ] - [ -0.0011763000000000, 0.0021289400000000, 0.0051769700000000 ] - [ -0.0003925300000000, -0.0001941500000000, 0.0008283600000000 ] - [ -0.0003778500000000, -0.0005374900000000, 0.0009053400000000 ] - [ 0.0015612800000000, -0.0001769700000000, -0.0001226900000000 ] - [ -0.0013173000000000, 0.0001403800000000, -0.0001895800000000 ] - [ 0.0015491800000000, 0.0015600700000000, 0.0015050100000000 ] - [ -0.0027179900000000, 0.0001295100000000, -0.0000772800000000 ] - [ 0.0000798300000000, 0.0010870700000000, 0.0004774700000000 ] - [ -0.0002924400000000, 0.0002288000000000, 0.0000619700000000 ] - [ 0.0002817400000000, -0.0005169200000000, 0.0006057600000000 ] - [ -0.0003016700000000, -0.0001298700000000, 0.0001718900000000 ] - [ 0.0000134200000000, 0.0008475700000000, -0.0004678200000000 ] - [ -0.0007435200000000, -0.0049937500000000, -0.0009608600000000 ] - [ -0.0001338800000000, 0.0005989700000000, -0.0003249400000000 ] - [ -0.0001082200000000, -0.0004575400000000, 0.0000750000000000 ] - [ -0.0002623000000000, 0.0003540700000000, -0.0001548900000000 ] - [ 0.0007715600000000, -0.0006379400000000, -0.0008015800000000 ] - [ -0.0000814700000000, 0.0001048900000000, 0.0001608900000000 ] - [ -0.0001560000000000, -0.0000977600000000, 0.0000010000000000 ] - [ 0.0009398400000000, 0.0000014500000000, -0.0003792900000000 ] - [ -0.0012764300000000, -0.0001142700000000, -0.0003738300000000 ] - [ 0.0003439500000000, -0.0003261600000000, -0.0003706300000000 ] - [ -0.0011076100000000, 0.0001506600000000, -0.0002439600000000 ] - [ 0.0012018100000000, -0.0019370900000000, 0.0009345100000000 ] - [ -0.0001787500000000, -0.0002052000000000, 0.0003705800000000 ] - [ 0.0002125900000000, 0.0006130800000000, 0.0001724900000000 ] - [ -0.0001304800000000, 0.0000701000000000, 0.0001912400000000 ] - [ 0.0379704500000000, 0.0172271300000000, 0.0218202600000000 ] - [ 0.0049138100000000, -0.0024929600000000, 0.0015273500000000 ] - [ -0.0001977200000000, -0.0002138800000000, 0.0007831200000000 ] - [ 0.0015520200000000, 0.0004941500000000, 0.0002735900000000 ] - [ -0.0010464500000000, 0.0003957300000000, 0.0003845400000000 ] - [ 0.0003428800000000, -0.0002737100000000, 0.0001823400000000 ] - [ -0.0002230800000000, 0.0001459100000000, -0.0004502000000000 ] - [ 0.0015563400000000, -0.0000931700000000, -0.0001393400000000 ] - [ -0.2750865100000000, -0.0050975000000000, -0.0300496200000000 ] - [ 0.0024269200000000, 0.0003094200000000, -0.0005564600000000 ] - [ -0.0011645600000000, -0.0001446300000000, 0.0001321800000000 ] - [ 0.0013223700000000, 0.0002350600000000, -0.0001373900000000 ] - [ -0.0135037500000000, -0.0055794700000000, -0.0052501200000000 ] - [ 0.0026980500000000, -0.0011006600000000, 0.0007204300000000 ] - [ -0.0017291500000000, -0.0004576100000000, 0.0008898800000000 ] - [ 0.0016316100000000, 0.0000603000000000, -0.0002761100000000 ] - [ -0.0006678600000000, -0.0010160700000000, -0.0002277200000000 ] - [ 0.0007269000000000, 0.0000266900000000, 0.0002899800000000 ] - [ -0.0009734700000000, 0.0002785800000000, -0.0000795100000000 ] - [ 0.0008521400000000, -0.0001442400000000, 0.0009807300000000 ] - [ -0.0011184900000000, 0.0012615200000000, -0.0010605700000000 ] - [ 0.0015213400000000, -0.0025118600000000, -0.0035743900000000 ] - [ 0.0003989200000000, -0.0008638400000000, -0.0018695000000000 ] - [ 0.0017188400000000, 0.0005347500000000, -0.0013806800000000 ] - [ -0.0008670700000000, -0.0003940900000000, 0.0000016000000000 ] - [ 0.0000710000000000, 0.0002495100000000, -0.0000249900000000 ] - [ -0.0003067000000000, 0.0002878700000000, 0.0000302100000000 ] - [ 0.0011754000000000, -0.0002477500000000, -0.0000326300000000 ] - [ 0.0293336400000000, -0.0244241600000000, -0.0213513500000000 ] - [ 0.0055306100000000, 0.0009849300000000, -0.0022510000000000 ] - [ 0.0000016000000000, -0.0002133900000000, 0.0000412300000000 ] - [ 0.0007405300000000, -0.0001120900000000, 0.0001422500000000 ] - [ -0.0002152200000000, -0.0000433800000000, -0.0000247600000000 ] - [ -0.0000566700000000, 0.0002393400000000, -0.0001984600000000 ] - [ -0.0007889400000000, -0.0002663700000000, -0.0002795400000000 ] - [ 0.0009339700000000, 0.0003716700000000, -0.0002885500000000 ] - [ -0.0009321900000000, 0.0023507400000000, 0.0010901500000000 ] - [ 0.0005630700000000, -0.0002375900000000, 0.0000571300000000 ] - [ -0.0009854800000000, 0.0004579000000000, -0.0001024800000000 ] - [ 0.0014997600000000, 0.0002152100000000, -0.0001954100000000 ] - [ -0.0128940300000000, 0.0145113200000000, 0.0131175900000000 ] - [ 0.0027120800000000, 0.0004325900000000, -0.0004027100000000 ] - [ -0.0001299500000000, -0.0003417300000000, 0.0002687100000000 ] - [ 0.0001686600000000, -0.0002166700000000, 0.0004428500000000 ] - [ -0.0007746300000000, -0.0000896300000000, 0.0000159400000000 ] - [ 0.0010838300000000, 0.0026674200000000, 0.0005966300000000 ] - [ 0.0003912500000000, 0.0008659600000000, -0.0003884000000000 ] - [ 0.0002647500000000, -0.0009246900000000, -0.0003774500000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001884900000000, -0.0003286300000000, 0.0011496000000000 ] - [ -0.0039353300000000, -0.0007318000000000, -0.0012280300000000 ] - [ -0.0002058300000000, 0.0000077500000000, -0.0001763900000000 ] - [ 0.0001940000000000, -0.0000185600000000, 0.0000459400000000 ] - [ 0.0130482200000000, -0.0030505600000000, -0.0017117000000000 ] - [ 0.0011419800000000, 0.0001151500000000, -0.0000706900000000 ] - [ -0.1306201100000000, -0.0620467800000000, -0.0716953900000000 ] - [ 0.0049658300000000, -0.0006389300000000, 0.0005762900000000 ] - [ -0.0008002000000000, 0.0002430700000000, 0.0015751200000000 ] - [ 0.0019580300000000, 0.0002030300000000, 0.0001628100000000 ] - [ -0.0015978400000000, -0.0001346700000000, -0.0001601900000000 ] - [ 0.0007289900000000, 0.0000986400000000, 0.0000232100000000 ] - [ -0.0010721400000000, -0.0000458500000000, -0.0004357500000000 ] - [ 0.0019766700000000, -0.0001618900000000, 0.0005205600000000 ] - [ -0.0002269400000000, 0.0000361500000000, -0.0001847700000000 ] - [ 0.0006159200000000, -0.0000673800000000, -0.0002354100000000 ] - [ -0.0019141100000000, 0.0005990700000000, 0.0008669500000000 ] - [ 0.0006615300000000, -0.0002188000000000, 0.0004002600000000 ] - [ -0.0004157100000000, 0.0004635500000000, 0.0002978300000000 ] - [ 0.0013837000000000, 0.0002123100000000, -0.0000261300000000 ] - [ -0.1050499000000000, 0.0596431300000000, 0.0542910400000000 ] - [ 0.0053738900000000, 0.0000381800000000, -0.0005073300000000 ] - [ -0.0004733400000000, -0.0004243700000000, -0.0000406700000000 ] - [ 0.0009794000000000, 0.0000524800000000, 0.0001824800000000 ] - [ -0.0000593000000000, 0.0000264400000000, 0.0000921400000000 ] - [ -0.0004200500000000, -0.0006334200000000, 0.0000105200000000 ] - [ 0.0003533700000000, -0.0001239800000000, 0.0002480700000000 ] - [ -0.0000008500000000, -0.0000777200000000, 0.0002423100000000 ] - [ -0.0002825100000000, 0.0010621300000000, -0.0010522600000000 ] - [ 0.0014097100000000, -0.0026802500000000, -0.0050370200000000 ] - [ 0.0006283500000000, 0.0007399600000000, -0.0006603700000000 ] - [ 0.0001430600000000, -0.0000077000000000, -0.0007312800000000 ] - [ -0.0022428500000000, -0.0000288100000000, -0.0003834500000000 ] - [ 0.0019899900000000, 0.0000623200000000, -0.0003209800000000 ] - [ -0.0008515500000000, -0.0017741300000000, -0.0020236700000000 ] - [ 0.0020430100000000, 0.0000730200000000, -0.0004320400000000 ] - [ 0.0000948400000000, -0.0010424300000000, -0.0000662300000000 ] - [ 0.0001152600000000, -0.0002895800000000, 0.0003585000000000 ] - [ -0.0004555700000000, 0.0005814200000000, -0.0001859500000000 ] - [ 0.0004800100000000, 0.0000709600000000, 0.0002485600000000 ] - [ -0.0003417700000000, -0.0013563400000000, 0.0007007700000000 ] - [ 0.0010671000000000, 0.0055391000000000, 0.0011965900000000 ] - [ 0.0004601200000000, -0.0011073700000000, 0.0005570700000000 ] - [ -0.0002157100000000, 0.0009623700000000, 0.0001562000000000 ] - [ 0.0000263100000000, 0.0001917900000000, 0.0003222500000000 ] - [ -0.0005400400000000, 0.0000941900000000, 0.0009734900000000 ] - [ 0.0003186400000000, 0.0004416800000000, 0.0000048100000000 ] - [ -0.0000786300000000, -0.0004464100000000, 0.0001662700000000 ] - [ -0.0016178700000000, -0.0002027900000000, -0.0001310700000000 ] - [ 0.0019542800000000, 0.0003184100000000, -0.0001357000000000 ] - [ 0.0003362700000000, 0.0001259000000000, -0.0001375400000000 ] - [ 0.0004356100000000, 0.0000525300000000, -0.0002663500000000 ] - [ -0.0010603600000000, 0.0020566600000000, -0.0004764000000000 ] - [ 0.0000015500000000, 0.0001485900000000, 0.0000468200000000 ] - [ -0.0003890600000000, -0.0005590900000000, 0.0002442500000000 ] - [ 0.0003078800000000, -0.0001298900000000, 0.0002278300000000 ] - [ -0.0386084900000000, -0.0178456900000000, -0.0223838800000000 ] - [ -0.0051434100000000, 0.0027228800000000, -0.0015638100000000 ] - [ -0.0000517000000000, -0.0000054400000000, -0.0008210000000000 ] - [ -0.0013203400000000, -0.0002741500000000, -0.0003083200000000 ] - [ 0.0008485300000000, -0.0000955100000000, -0.0003426200000000 ] - [ -0.0001349600000000, -0.0000273600000000, -0.0001392600000000 ] - [ 0.0004170300000000, 0.0001548000000000, 0.0004914400000000 ] - [ -0.0017671000000000, -0.0002068300000000, 0.0001807600000000 ] - [ 0.2775482300000000, 0.0056822200000000, 0.0312996400000000 ] - [ -0.0030963600000000, 0.0002347200000000, 0.0000755300000000 ] - [ 0.0004863600000000, -0.0003980500000000, -0.0006136400000000 ] - [ -0.0006485000000000, 0.0003088900000000, -0.0003411700000000 ] - [ 0.0135857400000000, 0.0060382800000000, 0.0053585600000000 ] - [ -0.0027623900000000, 0.0006803100000000, -0.0006583000000000 ] - [ 0.0016592300000000, 0.0008850800000000, -0.0008365600000000 ] - [ -0.0015677200000000, -0.0004822800000000, 0.0003425500000000 ] - [ -0.0000557300000000, 0.0008682400000000, 0.0008143200000000 ] - [ -0.0000000900000000, 0.0001279300000000, 0.0002911600000000 ] - [ 0.0016943000000000, -0.0004353200000000, 0.0006739300000000 ] - [ -0.0015836500000000, 0.0002994300000000, -0.0004023200000000 ] - [ 0.0007672600000000, 0.0000010200000000, 0.0001172700000000 ] - [ -0.0011672200000000, 0.0012577200000000, 0.0026534700000000 ] - [ -0.0000461500000000, 0.0021155600000000, 0.0009158300000000 ] - [ -0.0020742000000000, -0.0017918400000000, 0.0004326600000000 ] - [ 0.0011119300000000, 0.0001722800000000, -0.0000415000000000 ] - [ -0.0003050100000000, -0.0000298500000000, -0.0000123900000000 ] - [ 0.0000648700000000, -0.0005080700000000, -0.0000684800000000 ] - [ -0.0009420300000000, 0.0004661200000000, -0.0000050900000000 ] - [ -0.0301155500000000, 0.0252579700000000, 0.0218235400000000 ] - [ -0.0053149200000000, -0.0012833200000000, 0.0023053700000000 ] - [ 0.0001994000000000, 0.0005138300000000, 0.0000038200000000 ] - [ -0.0009492200000000, -0.0001896900000000, -0.0000972200000000 ] - [ 0.0008934600000000, -0.0005029800000000, -0.0004558700000000 ] - [ -0.0006187700000000, 0.0003046200000000, -0.0002799900000000 ] - [ 0.0001118100000000, -0.0002786700000000, -0.0001984500000000 ] - [ -0.0002590400000000, 0.0001711400000000, -0.0001885800000000 ] - [ 0.0010033000000000, -0.0019485300000000, -0.0010377500000000 ] - [ -0.0006276400000000, -0.0001853000000000, 0.0000083500000000 ] - [ 0.0009201600000000, -0.0000416400000000, 0.0001652600000000 ] - [ -0.0014391400000000, -0.0006380900000000, 0.0002597300000000 ] - [ 0.0121427000000000, -0.0147578300000000, -0.0126136300000000 ] - [ -0.0019805900000000, -0.0002828800000000, 0.0009876500000000 ] - [ 0.0008563700000000, 0.0001915100000000, 0.0003166700000000 ] - [ -0.0008964300000000, 0.0003704500000000, 0.0001406600000000 ] - [ 0.0004214800000000, 0.0013509100000000, -0.0009592600000000 ] - [ -0.0007293000000000, -0.0039560000000000, -0.0015454400000000 ] - [ -0.0000395500000000, 0.0003936500000000, -0.0005553500000000 ] - [ -0.0006244600000000, -0.0003360700000000, -0.0005640400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003848300000000, 0.0013585700000000, -0.0013823900000000 ] - [ -0.0005424100000000, 0.0027770600000000, 0.0013344700000000 ] - [ -0.0000350200000000, -0.0010673000000000, 0.0004475000000000 ] - [ 0.0002856700000000, -0.0008143200000000, -0.0002895900000000 ] - [ 0.0025745800000000, 0.0173843700000000, 0.0150026700000000 ] - [ -0.0004043800000000, 0.0016967500000000, -0.0014286100000000 ] - [ 0.0578276300000000, 0.1119234000000000, 0.0706576400000000 ] - [ 0.0002907700000000, -0.0000537700000000, 0.0002312200000000 ] - [ 0.0012284600000000, 0.0039106100000000, -0.0003782300000000 ] - [ -0.0005861500000000, 0.0007126500000000, -0.0005279100000000 ] - [ -0.0021511900000000, -0.0037170600000000, -0.0034975900000000 ] - [ 0.0002533700000000, -0.0003463100000000, 0.0001056500000000 ] - [ -0.0002598600000000, 0.0028892700000000, -0.0004620100000000 ] - [ 0.0002171000000000, 0.0011541200000000, -0.0008518900000000 ] - [ -0.0002869900000000, -0.0019525600000000, -0.0017238200000000 ] - [ 0.0000045700000000, -0.0020333100000000, -0.0002074800000000 ] - [ 0.0014351300000000, -0.0035100600000000, -0.0029930600000000 ] - [ 0.0000833500000000, -0.0004240800000000, 0.0003496000000000 ] - [ -0.0001946400000000, -0.0025623400000000, -0.0001045400000000 ] - [ 0.0003666200000000, -0.0010215800000000, 0.0010095900000000 ] - [ -0.0605906400000000, 0.1327904700000000, 0.0815340900000000 ] - [ 0.0004495100000000, 0.0002989100000000, -0.0001607600000000 ] - [ 0.0003131200000000, -0.0027755800000000, -0.0003414900000000 ] - [ -0.0002987300000000, -0.0007525600000000, 0.0007649400000000 ] - [ -0.0002824300000000, -0.0003354800000000, 0.0000701900000000 ] - [ 0.0000331800000000, -0.0008014700000000, -0.0000632800000000 ] - [ -0.0003934100000000, -0.0001131600000000, -0.0003099300000000 ] - [ -0.0001009600000000, 0.0005686800000000, 0.0001534300000000 ] - [ -0.0002591600000000, 0.0010611400000000, -0.0000440200000000 ] - [ 0.0022905500000000, -0.0027461800000000, -0.0035825400000000 ] - [ 0.0007427000000000, 0.0015239200000000, -0.0012930800000000 ] - [ -0.0001991900000000, 0.0000474800000000, 0.0006793200000000 ] - [ -0.0010125700000000, 0.0002275500000000, -0.0000930200000000 ] - [ 0.0020340500000000, 0.0001957700000000, -0.0002465400000000 ] - [ 0.0120055000000000, -0.0005521000000000, -0.0020454800000000 ] - [ -0.0011345800000000, 0.0002329200000000, -0.0001767800000000 ] - [ 0.0011719100000000, -0.0091840900000000, -0.0039217500000000 ] - [ -0.0000912800000000, -0.0002534700000000, 0.0003128000000000 ] - [ -0.0000751200000000, -0.0005016200000000, 0.0013468900000000 ] - [ 0.0001634000000000, 0.0001426600000000, 0.0000392700000000 ] - [ 0.0002692900000000, -0.0002577500000000, 0.0005098400000000 ] - [ -0.0013329200000000, -0.0016572600000000, -0.0002139700000000 ] - [ 0.0006935400000000, -0.0015738000000000, 0.0005587400000000 ] - [ -0.0003611700000000, -0.0004536500000000, 0.0003265100000000 ] - [ 0.0000179800000000, -0.0000649800000000, 0.0003483700000000 ] - [ 0.0000104900000000, -0.0009372500000000, -0.0006363700000000 ] - [ -0.0002989400000000, -0.0003263700000000, 0.0005602700000000 ] - [ 0.0000157200000000, -0.0004528300000000, 0.0002668900000000 ] - [ -0.0000139100000000, -0.0005413000000000, 0.0000243100000000 ] - [ -0.0009687800000000, -0.0000005000000000, -0.0002974700000000 ] - [ -0.0010526500000000, -0.0009387600000000, -0.0007528600000000 ] - [ -0.0000444400000000, 0.0000656700000000, -0.0002822900000000 ] - [ 0.0027242100000000, -0.0100481100000000, -0.0013294000000000 ] - [ -0.0000673300000000, 0.0002250200000000, 0.0000725200000000 ] - [ -0.0000755100000000, -0.0004172500000000, 0.0009124400000000 ] - [ 0.0001032500000000, -0.0003886800000000, 0.0003717900000000 ] - [ 0.0250114300000000, -0.0123595700000000, 0.0065753000000000 ] - [ -0.0003363100000000, -0.0024366400000000, -0.0023141800000000 ] - [ -0.0004801700000000, -0.0014380200000000, 0.0004194400000000 ] - [ 0.0003721800000000, -0.0006939600000000, 0.0007382800000000 ] - [ 0.0010583000000000, 0.0016412500000000, 0.0014657500000000 ] - [ 0.0001086500000000, 0.0004778800000000, 0.0000733700000000 ] - [ 0.0003351200000000, -0.0008941600000000, 0.0001131000000000 ] - [ -0.0002654800000000, -0.0012591600000000, 0.0012522000000000 ] - [ -0.0015512300000000, -0.2941462100000000, -0.2585139500000000 ] - [ -0.0003005300000000, 0.0000389300000000, -0.0002774200000000 ] - [ -0.0004639500000000, -0.0028679200000000, 0.0010430200000000 ] - [ 0.0003744200000000, -0.0007135700000000, 0.0006519300000000 ] - [ 0.0005874000000000, 0.0289796100000000, 0.0427589100000000 ] - [ 0.0004232400000000, -0.0002036900000000, 0.0000329900000000 ] - [ -0.0003769700000000, -0.0008766300000000, -0.0021916900000000 ] - [ -0.0009608700000000, -0.0004259500000000, 0.0002540700000000 ] - [ -0.0003314100000000, 0.0068934800000000, 0.0045404600000000 ] - [ 0.0003921800000000, 0.0004458000000000, 0.0002132700000000 ] - [ 0.0005168800000000, -0.0011852800000000, -0.0017710000000000 ] - [ -0.0000942200000000, -0.0004945800000000, 0.0008053500000000 ] - [ 0.0003187900000000, 0.0000778200000000, -0.0003016200000000 ] - [ -0.0017547600000000, 0.0010066100000000, 0.0019868000000000 ] - [ -0.0052613600000000, 0.0006217200000000, 0.0001347500000000 ] - [ 0.0009095200000000, -0.0003644300000000, -0.0012914800000000 ] - [ -0.0007639100000000, 0.0017103700000000, 0.0011037700000000 ] - [ -0.0000501400000000, 0.0005405600000000, 0.0001369700000000 ] - [ 0.0002782200000000, 0.0012136100000000, 0.0001254300000000 ] - [ -0.0001389600000000, 0.0014691400000000, -0.0005164500000000 ] - [ -0.0327385700000000, -0.0026692300000000, 0.0109092000000000 ] - [ -0.0008281700000000, -0.0030755400000000, -0.0019138300000000 ] - [ -0.0002141200000000, 0.0013582600000000, 0.0000332800000000 ] - [ -0.0001012400000000, 0.0007321100000000, -0.0005529700000000 ] - [ 0.0005677700000000, 0.0031193300000000, 0.0030625500000000 ] - [ -0.0003718300000000, 0.0005965200000000, -0.0002945700000000 ] - [ -0.0003445200000000, 0.0016486600000000, 0.0002774100000000 ] - [ 0.0002394700000000, 0.0010824400000000, -0.0009862000000000 ] - [ -0.0011245900000000, 0.0070979500000000, 0.0036484000000000 ] - [ -0.0001735800000000, -0.0002215700000000, 0.0000512000000000 ] - [ 0.0001854800000000, 0.0018657600000000, -0.0002494800000000 ] - [ 0.0006777900000000, 0.0000886700000000, -0.0000880100000000 ] - [ 0.0009158100000000, 0.0315757400000000, 0.0416770400000000 ] - [ 0.0002511400000000, -0.0003128100000000, 0.0005648100000000 ] - [ 0.0000569700000000, 0.0014830800000000, -0.0000692800000000 ] - [ -0.0005667900000000, 0.0006997200000000, -0.0001004500000000 ] - [ -0.0006158900000000, 0.0010718500000000, -0.0008926700000000 ] - [ 0.0015240800000000, 0.0008554400000000, -0.0000062100000000 ] - [ 0.0014181300000000, 0.0012798500000000, -0.0001660600000000 ] - [ -0.0004198700000000, -0.0006432900000000, -0.0005043600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003862500000000, -0.0013568300000000, 0.0015189800000000 ] - [ 0.0005154500000000, -0.0027805600000000, -0.0011906700000000 ] - [ 0.0000375700000000, 0.0010658000000000, -0.0003026500000000 ] - [ -0.0002881500000000, 0.0008136700000000, 0.0004322300000000 ] - [ -0.0026221600000000, -0.0173349500000000, -0.0155935900000000 ] - [ 0.0003996400000000, -0.0016960100000000, 0.0007909100000000 ] - [ -0.0614511400000000, -0.1132956400000000, -0.0739528000000000 ] - [ 0.0001011800000000, -0.0002595900000000, 0.0003992800000000 ] - [ -0.0008332100000000, -0.0035748900000000, 0.0010136800000000 ] - [ 0.0001846300000000, -0.0010288500000000, 0.0011610400000000 ] - [ 0.0018307900000000, 0.0035135800000000, 0.0035668500000000 ] - [ 0.0000753200000000, 0.0005486600000000, -0.0000381100000000 ] - [ 0.0005892200000000, -0.0031042200000000, 0.0005122100000000 ] - [ -0.0005470300000000, -0.0009496400000000, 0.0009175500000000 ] - [ 0.0002912600000000, 0.0019498200000000, 0.0010884200000000 ] - [ -0.0000104400000000, 0.0020307100000000, -0.0004239300000000 ] - [ -0.0018247600000000, 0.0038223500000000, 0.0036191600000000 ] - [ 0.0003173800000000, 0.0001033800000000, 0.0002847600000000 ] - [ 0.0005892800000000, 0.0028770000000000, 0.0007397700000000 ] - [ -0.0007694200000000, 0.0006985100000000, -0.0003728000000000 ] - [ 0.0566262100000000, -0.1292947500000000, -0.0759893800000000 ] - [ -0.0001268600000000, -0.0000992400000000, 0.0002297300000000 ] - [ 0.0000107000000000, 0.0025737900000000, 0.0004091900000000 ] - [ -0.0000328000000000, 0.0009539500000000, -0.0006957100000000 ] - [ -0.0000428000000000, -0.0001736600000000, 0.0001620800000000 ] - [ 0.0002948000000000, 0.0013124000000000, 0.0002959400000000 ] - [ 0.0007145700000000, -0.0003920500000000, 0.0005402000000000 ] - [ -0.0002248400000000, -0.0000623500000000, 0.0000795100000000 ] - [ 0.0000269200000000, -0.0005170000000000, 0.0002152100000000 ] - [ -0.0020547800000000, 0.0021954100000000, 0.0037606600000000 ] - [ -0.0005067700000000, -0.0009804400000000, 0.0014579900000000 ] - [ -0.0000355500000000, -0.0005905700000000, -0.0005133800000000 ] - [ 0.0003379200000000, -0.0004302100000000, -0.0004180500000000 ] - [ -0.0013598500000000, 0.0000075600000000, -0.0002633700000000 ] - [ -0.0113394200000000, 0.0003278700000000, 0.0015137500000000 ] - [ 0.0004588000000000, -0.0000293400000000, -0.0003334600000000 ] - [ -0.0010028200000000, 0.0092705900000000, 0.0043494700000000 ] - [ -0.0000862600000000, 0.0001969700000000, 0.0001052900000000 ] - [ -0.0001024100000000, 0.0005681500000000, -0.0009193900000000 ] - [ 0.0000125500000000, -0.0002041100000000, 0.0003803100000000 ] - [ -0.0005920700000000, -0.0002451900000000, -0.0002785300000000 ] - [ 0.0016545700000000, 0.0021295100000000, 0.0004408800000000 ] - [ -0.0003698500000000, 0.0010619200000000, -0.0003244200000000 ] - [ 0.0000328800000000, 0.0009634800000000, -0.0000917700000000 ] - [ -0.0002534800000000, 0.0006101100000000, -0.0001808800000000 ] - [ 0.0002296300000000, 0.0003896900000000, 0.0007981000000000 ] - [ 0.0005322500000000, 0.0008702200000000, -0.0003913800000000 ] - [ -0.0002525100000000, -0.0000940300000000, -0.0001006100000000 ] - [ -0.0006554200000000, 0.0003374400000000, -0.0005329700000000 ] - [ 0.0016361900000000, 0.0002021800000000, -0.0002128500000000 ] - [ 0.0017206100000000, 0.0007308500000000, 0.0002402500000000 ] - [ -0.0006310100000000, 0.0001365500000000, -0.0002275000000000 ] - [ -0.0025342500000000, 0.0101295200000000, 0.0017844400000000 ] - [ -0.0001103600000000, -0.0002882200000000, 0.0003489500000000 ] - [ -0.0001029200000000, 0.0004734300000000, -0.0004977600000000 ] - [ 0.0000734500000000, 0.0003313600000000, 0.0000470900000000 ] - [ -0.0246420900000000, 0.0123850900000000, -0.0065917000000000 ] - [ 0.0001043400000000, 0.0026505600000000, 0.0022788500000000 ] - [ 0.0002471800000000, 0.0012159400000000, -0.0004570600000000 ] - [ -0.0001317600000000, 0.0009105600000000, -0.0007764100000000 ] - [ -0.0012696900000000, -0.0013375300000000, -0.0014189200000000 ] - [ 0.0000941700000000, -0.0007794500000000, -0.0000278400000000 ] - [ -0.0001297100000000, 0.0011950500000000, -0.0000639500000000 ] - [ 0.0000632400000000, 0.0009573300000000, -0.0012056800000000 ] - [ 0.0091810300000000, 0.2915734000000000, 0.2563427200000000 ] - [ -0.0003765200000000, 0.0005033600000000, -0.0001986900000000 ] - [ -0.0002113600000000, 0.0023242500000000, -0.0015145500000000 ] - [ 0.0003023900000000, 0.0012549600000000, -0.0011277500000000 ] - [ -0.0005727500000000, -0.0288284200000000, -0.0433867100000000 ] - [ -0.0004842300000000, -0.0002226300000000, 0.0000336100000000 ] - [ 0.0003126300000000, 0.0013009800000000, 0.0022529400000000 ] - [ 0.0010246700000000, 0.0000012800000000, -0.0001896200000000 ] - [ -0.0003877500000000, -0.0070682800000000, -0.0039676400000000 ] - [ 0.0003342600000000, -0.0002944700000000, 0.0003706000000000 ] - [ 0.0002077200000000, 0.0010222600000000, 0.0023633500000000 ] - [ -0.0006309500000000, 0.0006480500000000, -0.0002202100000000 ] - [ -0.0006774100000000, 0.0011856000000000, -0.0006419300000000 ] - [ 0.0021092600000000, -0.0022703700000000, -0.0029335900000000 ] - [ 0.0056214800000000, 0.0006496200000000, -0.0010805200000000 ] - [ -0.0012633100000000, -0.0009035300000000, 0.0003478300000000 ] - [ 0.0009933500000000, -0.0019291200000000, -0.0011396500000000 ] - [ -0.0001894600000000, -0.0003189200000000, -0.0001748200000000 ] - [ -0.0005111400000000, -0.0014334400000000, -0.0001641400000000 ] - [ 0.0003793600000000, -0.0012450300000000, 0.0004760900000000 ] - [ 0.0324005400000000, 0.0027327400000000, -0.0107880300000000 ] - [ 0.0010339000000000, 0.0027631700000000, 0.0019425000000000 ] - [ 0.0004230300000000, -0.0010563400000000, 0.0000108000000000 ] - [ -0.0001003000000000, -0.0010330100000000, 0.0005962300000000 ] - [ 0.0001070000000000, -0.0036591400000000, -0.0035366500000000 ] - [ -0.0003048200000000, -0.0000518400000000, -0.0001834300000000 ] - [ -0.0003314200000000, -0.0021911100000000, -0.0007560500000000 ] - [ 0.0004382100000000, -0.0005364300000000, 0.0005063000000000 ] - [ 0.0011849500000000, -0.0066547900000000, -0.0035757000000000 ] - [ 0.0001089300000000, -0.0001963900000000, 0.0000112500000000 ] - [ -0.0002514200000000, -0.0014445600000000, 0.0003088400000000 ] - [ -0.0006086900000000, -0.0005061100000000, 0.0001504000000000 ] - [ -0.0016031100000000, -0.0314720300000000, -0.0403901300000000 ] - [ 0.0004774600000000, 0.0004705800000000, 0.0000154000000000 ] - [ 0.0006707900000000, -0.0016357500000000, 0.0006544600000000 ] - [ -0.0001597700000000, -0.0005484500000000, 0.0006840000000000 ] - [ 0.0002560700000000, 0.0001872800000000, -0.0000494500000000 ] - [ -0.0011639200000000, -0.0020945000000000, -0.0009303900000000 ] - [ -0.0010556300000000, -0.0000179800000000, -0.0007751000000000 ] - [ 0.0000646000000000, -0.0006165300000000, -0.0004378100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007379500000000, 0.0007864900000000, -0.0016715600000000 ] - [ 0.0003721500000000, 0.0015817000000000, 0.0029158300000000 ] - [ 0.0001434300000000, -0.0007946800000000, 0.0006601000000000 ] - [ 0.0003190900000000, -0.0005389500000000, -0.0004742600000000 ] - [ 0.0015492100000000, 0.0150486200000000, 0.0170205800000000 ] - [ -0.0002317900000000, -0.0002410100000000, -0.0032943800000000 ] - [ 0.0683749900000000, 0.0719835300000000, 0.1271304400000000 ] - [ 0.0002854300000000, -0.0004210600000000, 0.0005602200000000 ] - [ -0.0005056100000000, -0.0007205500000000, -0.0054859600000000 ] - [ -0.0007622800000000, 0.0005795400000000, -0.0005044800000000 ] - [ -0.0023145900000000, -0.0033667600000000, -0.0038335600000000 ] - [ 0.0001562300000000, -0.0000668600000000, -0.0001569700000000 ] - [ 0.0019293500000000, -0.0014310600000000, -0.0055549600000000 ] - [ 0.0001621400000000, 0.0010363200000000, -0.0008602000000000 ] - [ -0.0003333400000000, -0.0015440900000000, -0.0020243300000000 ] - [ -0.0002106400000000, -0.0009981600000000, 0.0006612800000000 ] - [ 0.0016962300000000, -0.0031396100000000, -0.0033146600000000 ] - [ 0.0002053700000000, -0.0001365500000000, 0.0001052000000000 ] - [ 0.0003139500000000, -0.0006491200000000, 0.0014187100000000 ] - [ 0.0001302200000000, -0.0010003500000000, 0.0010780700000000 ] - [ -0.0558467000000000, 0.0823264500000000, 0.1234945200000000 ] - [ -0.0000762100000000, 0.0001551300000000, 0.0000561300000000 ] - [ -0.0002029400000000, -0.0007264800000000, 0.0012371000000000 ] - [ -0.0003324500000000, -0.0006481800000000, 0.0007802100000000 ] - [ -0.0001266500000000, 0.0000824000000000, -0.0000773000000000 ] - [ 0.0001569600000000, -0.0005705800000000, -0.0002084100000000 ] - [ -0.0003402000000000, -0.0001397500000000, -0.0003796200000000 ] - [ -0.0004024900000000, 0.0006908900000000, -0.0000319700000000 ] - [ 0.0002944000000000, 0.0006348100000000, 0.0003090600000000 ] - [ 0.0019569200000000, -0.0015158000000000, -0.0029055000000000 ] - [ 0.0008339000000000, 0.0010174700000000, -0.0012234800000000 ] - [ 0.0003686100000000, 0.0002533500000000, -0.0000956600000000 ] - [ 0.0012421200000000, 0.0004671600000000, -0.0009594900000000 ] - [ 0.0016827200000000, 0.0001740200000000, -0.0002739500000000 ] - [ 0.0118663600000000, -0.0025637200000000, 0.0000640400000000 ] - [ -0.0000307000000000, 0.0001171100000000, -0.0001738400000000 ] - [ 0.0013285700000000, -0.0095751900000000, -0.0051512100000000 ] - [ -0.0000714200000000, -0.0001277800000000, 0.0002434000000000 ] - [ 0.0000368800000000, 0.0018721600000000, 0.0005853700000000 ] - [ 0.0001256500000000, 0.0001408800000000, 0.0000281700000000 ] - [ -0.0000373300000000, -0.0003003700000000, 0.0006797200000000 ] - [ -0.0015304100000000, -0.0030156200000000, -0.0008411600000000 ] - [ 0.0004749600000000, -0.0014455000000000, 0.0007913100000000 ] - [ -0.0002570600000000, 0.0002489500000000, 0.0003802500000000 ] - [ -0.0001014600000000, 0.0001040200000000, 0.0001242100000000 ] - [ 0.0001302300000000, -0.0008686200000000, -0.0008399200000000 ] - [ -0.0002921100000000, -0.0002413300000000, 0.0005602300000000 ] - [ -0.0001288400000000, -0.0001761600000000, 0.0002808700000000 ] - [ -0.0006575100000000, -0.0001738400000000, 0.0000551600000000 ] - [ -0.0012382500000000, 0.0000048000000000, -0.0003165400000000 ] - [ -0.0011540200000000, -0.0008708400000000, -0.0008362400000000 ] - [ -0.0004900000000000, 0.0001005700000000, -0.0002786900000000 ] - [ 0.0040984600000000, -0.0078303100000000, -0.0058499500000000 ] - [ -0.0000554500000000, 0.0001680400000000, 0.0001269400000000 ] - [ 0.0000757000000000, 0.0015382200000000, 0.0008011500000000 ] - [ 0.0000876200000000, -0.0003375600000000, 0.0003470600000000 ] - [ 0.0291509700000000, 0.0058784200000000, -0.0070779900000000 ] - [ -0.0005691500000000, -0.0019902500000000, -0.0026607900000000 ] - [ 0.0009477800000000, -0.0000987800000000, 0.0020034200000000 ] - [ 0.0004246400000000, -0.0003394100000000, 0.0010783500000000 ] - [ 0.0010404900000000, 0.0014895100000000, 0.0016935200000000 ] - [ 0.0001425800000000, 0.0002386600000000, 0.0003228800000000 ] - [ -0.0011238300000000, 0.0002805200000000, 0.0017925100000000 ] - [ -0.0002168000000000, -0.0008240900000000, 0.0014730900000000 ] - [ -0.0264932700000000, -0.2579855100000000, -0.3114381500000000 ] - [ -0.0000207500000000, 0.0003110300000000, -0.0006067400000000 ] - [ -0.0007101000000000, 0.0010077300000000, 0.0042191500000000 ] - [ 0.0004399000000000, -0.0006182500000000, 0.0006574900000000 ] - [ 0.0008310500000000, 0.0432424800000000, 0.0298886500000000 ] - [ -0.0003150100000000, -0.0000299100000000, -0.0000826100000000 ] - [ 0.0000609000000000, -0.0017150300000000, 0.0044726000000000 ] - [ -0.0006937500000000, -0.0003721200000000, 0.0002358600000000 ] - [ -0.0003998400000000, 0.0071278300000000, 0.0053343200000000 ] - [ 0.0003327400000000, 0.0002363400000000, 0.0003619300000000 ] - [ -0.0004393000000000, -0.0019637100000000, 0.0049132400000000 ] - [ -0.0000819900000000, -0.0004493200000000, 0.0008182600000000 ] - [ -0.0010819900000000, 0.0001138800000000, -0.0001080500000000 ] - [ -0.0013361700000000, 0.0003069600000000, 0.0014798000000000 ] - [ -0.0050573100000000, 0.0013918200000000, -0.0008329100000000 ] - [ -0.0006534800000000, -0.0010607800000000, -0.0009295400000000 ] - [ -0.0008575500000000, 0.0014326600000000, 0.0012180800000000 ] - [ -0.0000939300000000, 0.0001599200000000, 0.0003511000000000 ] - [ -0.0000994100000000, 0.0002847400000000, -0.0004418000000000 ] - [ 0.0000170100000000, 0.0012537400000000, -0.0006771600000000 ] - [ -0.0281647500000000, 0.0108566900000000, -0.0074547800000000 ] - [ 0.0000424400000000, -0.0024720200000000, -0.0025231900000000 ] - [ 0.0003274200000000, 0.0004389500000000, -0.0005611300000000 ] - [ -0.0000060500000000, 0.0004735200000000, -0.0006624500000000 ] - [ 0.0005528700000000, 0.0030272100000000, 0.0034340600000000 ] - [ -0.0003794200000000, 0.0003272500000000, -0.0000346200000000 ] - [ -0.0002970900000000, 0.0002444200000000, -0.0011507600000000 ] - [ 0.0002892000000000, 0.0010183700000000, -0.0010043000000000 ] - [ -0.0013929800000000, 0.0075697100000000, 0.0044693800000000 ] - [ 0.0000708500000000, -0.0003349000000000, 0.0001063000000000 ] - [ -0.0000071500000000, -0.0001456900000000, -0.0007743900000000 ] - [ 0.0009100300000000, 0.0001062000000000, -0.0001132500000000 ] - [ -0.0005494400000000, 0.0437729100000000, 0.0354116400000000 ] - [ 0.0006336000000000, -0.0001203500000000, 0.0003729400000000 ] - [ 0.0003393100000000, -0.0005684300000000, -0.0006824300000000 ] - [ -0.0005427300000000, 0.0006086300000000, -0.0000837500000000 ] - [ -0.0001019100000000, 0.0008780500000000, -0.0009494100000000 ] - [ 0.0017917000000000, 0.0017792600000000, 0.0003556300000000 ] - [ 0.0014347600000000, 0.0011936800000000, -0.0000946300000000 ] - [ -0.0000245100000000, -0.0008987100000000, -0.0003964600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007429200000000, -0.0007860400000000, 0.0018106900000000 ] - [ -0.0003469500000000, -0.0015721900000000, -0.0027769400000000 ] - [ -0.0001414900000000, 0.0007943200000000, -0.0005171100000000 ] - [ -0.0003223900000000, 0.0005393500000000, 0.0006160400000000 ] - [ -0.0016026900000000, -0.0150412100000000, -0.0176546900000000 ] - [ 0.0002217500000000, 0.0002413100000000, 0.0026591500000000 ] - [ -0.0731754700000000, -0.0763255300000000, -0.1297183500000000 ] - [ 0.0001052600000000, 0.0001053000000000, 0.0000682500000000 ] - [ 0.0008959000000000, 0.0010471500000000, 0.0061129800000000 ] - [ 0.0003585300000000, -0.0008975700000000, 0.0011384100000000 ] - [ 0.0019991200000000, 0.0031696600000000, 0.0039071600000000 ] - [ 0.0001730100000000, 0.0002700600000000, 0.0002234200000000 ] - [ -0.0016092200000000, 0.0012234500000000, 0.0056247700000000 ] - [ -0.0004937200000000, -0.0008337100000000, 0.0009260300000000 ] - [ 0.0003396300000000, 0.0015443500000000, 0.0013907700000000 ] - [ 0.0002080400000000, 0.0009966600000000, -0.0012950900000000 ] - [ -0.0020848200000000, 0.0034540800000000, 0.0039444500000000 ] - [ 0.0001960800000000, -0.0001838800000000, 0.0005285800000000 ] - [ 0.0000822500000000, 0.0009707900000000, -0.0007830000000000 ] - [ -0.0005315400000000, 0.0006791900000000, -0.0004439200000000 ] - [ 0.0522772700000000, -0.0773532500000000, -0.1203773800000000 ] - [ 0.0003964700000000, 0.0000474700000000, 0.0000138100000000 ] - [ 0.0005274200000000, 0.0005202800000000, -0.0011732200000000 ] - [ 0.0000019600000000, 0.0008509200000000, -0.0007128900000000 ] - [ -0.0001985800000000, -0.0005912900000000, 0.0003089300000000 ] - [ 0.0001729100000000, 0.0010840200000000, 0.0004396300000000 ] - [ 0.0006618400000000, -0.0003655500000000, 0.0006094500000000 ] - [ 0.0000760200000000, -0.0001830600000000, 0.0002648300000000 ] - [ -0.0005269600000000, -0.0000931400000000, -0.0001377400000000 ] - [ -0.0017277800000000, 0.0009864900000000, 0.0031014200000000 ] - [ -0.0006007600000000, -0.0004703500000000, 0.0013885700000000 ] - [ -0.0006054800000000, -0.0008003700000000, 0.0002566700000000 ] - [ -0.0019102100000000, -0.0006680700000000, 0.0004467700000000 ] - [ -0.0010135200000000, 0.0000293400000000, -0.0002369500000000 ] - [ -0.0112187800000000, 0.0023436600000000, -0.0005996900000000 ] - [ -0.0006421000000000, 0.0000861400000000, -0.0003371800000000 ] - [ -0.0011628800000000, 0.0096877100000000, 0.0056072900000000 ] - [ -0.0001058900000000, 0.0000719600000000, 0.0001734200000000 ] - [ -0.0002154900000000, -0.0018142700000000, -0.0001705500000000 ] - [ 0.0000506700000000, -0.0002023100000000, 0.0003906200000000 ] - [ -0.0002857600000000, -0.0002023400000000, -0.0004499100000000 ] - [ 0.0018552600000000, 0.0035079600000000, 0.0010760600000000 ] - [ -0.0001497700000000, 0.0009351800000000, -0.0005607000000000 ] - [ -0.0000688900000000, 0.0002630500000000, -0.0001479000000000 ] - [ -0.0001338700000000, 0.0004418700000000, 0.0000416100000000 ] - [ 0.0001095500000000, 0.0003214400000000, 0.0010027300000000 ] - [ 0.0005254700000000, 0.0007852500000000, -0.0003919800000000 ] - [ -0.0001070100000000, -0.0003705800000000, -0.0001138100000000 ] - [ -0.0000141000000000, -0.0000285900000000, -0.0005664200000000 ] - [ 0.0019102500000000, 0.0001973800000000, -0.0001945400000000 ] - [ 0.0018218900000000, 0.0006627500000000, 0.0003220100000000 ] - [ -0.0001852100000000, 0.0001017700000000, -0.0002319400000000 ] - [ -0.0038917000000000, 0.0079443900000000, 0.0062765200000000 ] - [ -0.0001220500000000, -0.0002315200000000, 0.0002940900000000 ] - [ -0.0002533200000000, -0.0014794200000000, -0.0003789000000000 ] - [ 0.0000889300000000, 0.0002808000000000, 0.0000708000000000 ] - [ -0.0288936900000000, -0.0061231700000000, 0.0072873100000000 ] - [ 0.0003376800000000, 0.0021980500000000, 0.0026195200000000 ] - [ -0.0011769900000000, -0.0001216700000000, -0.0020424500000000 ] - [ -0.0001813100000000, 0.0005578700000000, -0.0011195700000000 ] - [ -0.0012545500000000, -0.0011885600000000, -0.0016506900000000 ] - [ 0.0000596300000000, -0.0005413500000000, -0.0002782900000000 ] - [ 0.0013364400000000, 0.0000207900000000, -0.0017479900000000 ] - [ 0.0000171600000000, 0.0005220500000000, -0.0014274000000000 ] - [ 0.0348236000000000, 0.2568854400000000, 0.3112212400000000 ] - [ -0.0006539400000000, 0.0002314900000000, 0.0001290700000000 ] - [ 0.0000344500000000, -0.0015516200000000, -0.0046976600000000 ] - [ 0.0002376900000000, 0.0011613200000000, -0.0011358100000000 ] - [ -0.0008324100000000, -0.0435508400000000, -0.0301840400000000 ] - [ 0.0002522100000000, -0.0003958200000000, 0.0001487500000000 ] - [ -0.0001262800000000, 0.0021177400000000, -0.0043879000000000 ] - [ 0.0007620500000000, -0.0000515100000000, -0.0001731200000000 ] - [ -0.0003155700000000, -0.0073250200000000, -0.0047808700000000 ] - [ 0.0003935100000000, -0.0000855200000000, 0.0002215900000000 ] - [ 0.0011626300000000, 0.0018271000000000, -0.0043536100000000 ] - [ -0.0006429900000000, 0.0006038000000000, -0.0002343200000000 ] - [ 0.0007208600000000, 0.0011505200000000, -0.0008382800000000 ] - [ 0.0016981200000000, -0.0015818600000000, -0.0024424300000000 ] - [ 0.0054219500000000, -0.0001303600000000, -0.0001009900000000 ] - [ 0.0002934300000000, -0.0002063000000000, -0.0000096300000000 ] - [ 0.0010860100000000, -0.0016542100000000, -0.0012570300000000 ] - [ -0.0001462500000000, 0.0000616500000000, -0.0003908200000000 ] - [ -0.0001350300000000, -0.0005066300000000, 0.0004022800000000 ] - [ 0.0002220500000000, -0.0010314400000000, 0.0006373500000000 ] - [ 0.0279959400000000, -0.0105524000000000, 0.0072305700000000 ] - [ 0.0001699200000000, 0.0021802000000000, 0.0025679400000000 ] - [ -0.0001201700000000, -0.0001355600000000, 0.0006046800000000 ] - [ -0.0001966400000000, -0.0007746400000000, 0.0007048600000000 ] - [ 0.0001211900000000, -0.0035714100000000, -0.0039138800000000 ] - [ -0.0002970600000000, 0.0002171700000000, -0.0004445100000000 ] - [ -0.0003778000000000, -0.0007877000000000, 0.0006718300000000 ] - [ 0.0003881200000000, -0.0004736100000000, 0.0005245700000000 ] - [ 0.0014529800000000, -0.0071237700000000, -0.0043943100000000 ] - [ -0.0001360400000000, -0.0000828300000000, -0.0000449900000000 ] - [ -0.0000582000000000, 0.0005637800000000, 0.0008381700000000 ] - [ -0.0008436800000000, -0.0005246000000000, 0.0001754300000000 ] - [ -0.0001529900000000, -0.0432098500000000, -0.0344458600000000 ] - [ 0.0000953800000000, 0.0002777800000000, 0.0002049100000000 ] - [ 0.0003878900000000, 0.0004178100000000, 0.0012630100000000 ] - [ -0.0001835100000000, -0.0004579800000000, 0.0006668300000000 ] - [ -0.0002569500000000, 0.0003800800000000, 0.0000070300000000 ] - [ -0.0014361500000000, -0.0030320600000000, -0.0012986500000000 ] - [ -0.0010719700000000, 0.0000679400000000, -0.0008483700000000 ] - [ -0.0003307100000000, -0.0003615500000000, -0.0005485900000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012325600000000, 0.0010590800000000, -0.0019795700000000 ] - [ 0.0004988700000000, -0.0018311200000000, -0.0017796300000000 ] - [ -0.0001861000000000, -0.0004234500000000, 0.0005014600000000 ] - [ -0.0001817300000000, 0.0009408700000000, 0.0006611300000000 ] - [ -0.0100819900000000, 0.0127947100000000, 0.0112400600000000 ] - [ 0.0016869400000000, -0.0019199800000000, 0.0020177300000000 ] - [ 0.1167300800000000, -0.0725610200000000, -0.0706406500000000 ] - [ -0.0052996400000000, -0.0000848300000000, -0.0001964600000000 ] - [ 0.0027641000000000, 0.0000200900000000, 0.0014163700000000 ] - [ -0.0014287700000000, -0.0008738500000000, 0.0011034000000000 ] - [ 0.0042686900000000, 0.0002696600000000, 0.0016972200000000 ] - [ -0.0008830600000000, 0.0002732100000000, 0.0000634000000000 ] - [ 0.0042152800000000, -0.0017849900000000, -0.0000894600000000 ] - [ -0.0050270400000000, -0.0006926300000000, 0.0003301400000000 ] - [ -0.0002086200000000, -0.0001159600000000, -0.0004564100000000 ] - [ 0.0014424000000000, 0.0024886700000000, -0.0019673700000000 ] - [ 0.0007390900000000, 0.0007847000000000, 0.0009163700000000 ] - [ -0.0009136600000000, -0.0000954200000000, 0.0003204500000000 ] - [ 0.0018808300000000, 0.0010714600000000, 0.0004092600000000 ] - [ -0.0049136300000000, 0.0004551300000000, 0.0001272500000000 ] - [ 0.0020762800000000, 0.0033712100000000, 0.0043577800000000 ] - [ -0.0058267200000000, -0.0002006200000000, 0.0001569300000000 ] - [ 0.0029633300000000, 0.0001225900000000, -0.0007210700000000 ] - [ -0.0012438200000000, 0.0008019000000000, -0.0006863200000000 ] - [ -0.0004320500000000, -0.0007931300000000, 0.0001929100000000 ] - [ 0.0003102900000000, 0.0006828400000000, 0.0002060200000000 ] - [ 0.0002339700000000, -0.0004321400000000, 0.0002007000000000 ] - [ -0.0000573600000000, 0.0001714600000000, 0.0003283400000000 ] - [ -0.0000720000000000, -0.0001681400000000, 0.0012332300000000 ] - [ -0.0004718500000000, 0.0004781900000000, 0.0013890400000000 ] - [ 0.0001981000000000, -0.0049951900000000, 0.0092685600000000 ] - [ -0.0000257500000000, -0.0008732600000000, 0.0000314500000000 ] - [ 0.0007500100000000, -0.0001991800000000, -0.0000977800000000 ] - [ -0.0007395300000000, 0.0001523000000000, -0.0002012200000000 ] - [ 0.2323558000000000, 0.0192779900000000, 0.0377110100000000 ] - [ -0.0016895000000000, -0.0000464900000000, -0.0001762900000000 ] - [ 0.0116454700000000, 0.0098436400000000, 0.0045046700000000 ] - [ -0.0002855700000000, 0.0004746800000000, -0.0000674800000000 ] - [ 0.0001415900000000, 0.0005245600000000, 0.0003334800000000 ] - [ -0.0013819300000000, -0.0000632700000000, 0.0005274900000000 ] - [ 0.0000223400000000, 0.0009305300000000, -0.0001952600000000 ] - [ -0.0034440700000000, -0.0045592800000000, -0.0007360400000000 ] - [ 0.0018778400000000, 0.0091055900000000, -0.0021238100000000 ] - [ -0.0000337600000000, 0.0003844800000000, 0.0000401700000000 ] - [ -0.0003420200000000, 0.0004103100000000, -0.0002631000000000 ] - [ 0.0003781200000000, -0.0018108800000000, -0.0017326400000000 ] - [ 0.0001985300000000, 0.0004530300000000, -0.0001401600000000 ] - [ -0.0000055300000000, -0.0001654200000000, -0.0001865500000000 ] - [ 0.0005337100000000, 0.0000884600000000, -0.0003646900000000 ] - [ -0.0043352600000000, -0.0003034800000000, -0.0005330600000000 ] - [ 0.0009174100000000, -0.0000008600000000, -0.0001754900000000 ] - [ -0.0011856300000000, 0.0001685100000000, -0.0002144700000000 ] - [ 0.0001090100000000, 0.0009566000000000, 0.0008237300000000 ] - [ -0.0003474800000000, -0.0004463600000000, 0.0004952500000000 ] - [ 0.0002367600000000, -0.0002434100000000, 0.0002042300000000 ] - [ -0.0000201000000000, 0.0001403800000000, 0.0001692300000000 ] - [ 0.0461745800000000, -0.0332403100000000, -0.0295979900000000 ] - [ 0.0061876700000000, -0.0044851200000000, 0.0002950100000000 ] - [ -0.0017609400000000, 0.0001041500000000, -0.0008350300000000 ] - [ 0.0007642500000000, 0.0010723600000000, -0.0008575100000000 ] - [ -0.0021932700000000, 0.0008133900000000, 0.0004229400000000 ] - [ 0.0007111600000000, -0.0002416400000000, 0.0001980800000000 ] - [ -0.0018927500000000, 0.0013541300000000, -0.0005599300000000 ] - [ 0.0026314000000000, 0.0026772400000000, -0.0042750200000000 ] - [ -0.0131763900000000, 0.0001922100000000, 0.0004902200000000 ] - [ 0.0023895600000000, 0.0007262100000000, 0.0000445600000000 ] - [ -0.0020371100000000, 0.0000741300000000, -0.0003326100000000 ] - [ 0.0019382600000000, 0.0012660600000000, -0.0009681900000000 ] - [ -0.4468877200000000, 0.0843480200000000, 0.0528642900000000 ] - [ 0.0023195600000000, -0.0010566800000000, 0.0010132100000000 ] - [ -0.0014898400000000, 0.0001886400000000, -0.0006815500000000 ] - [ 0.0011004600000000, 0.0000353700000000, -0.0004300600000000 ] - [ -0.0070201700000000, -0.0106034100000000, -0.0058587700000000 ] - [ 0.0008799300000000, -0.0002819100000000, 0.0002525600000000 ] - [ -0.0015287500000000, -0.0003760400000000, 0.0014371200000000 ] - [ 0.0020754300000000, -0.0000104700000000, 0.0006781900000000 ] - [ -0.0005310700000000, 0.0011823200000000, -0.0010359000000000 ] - [ 0.0009345900000000, -0.0013673600000000, -0.0012133600000000 ] - [ 0.0596442800000000, -0.0037379000000000, 0.0006233300000000 ] - [ 0.0002994200000000, -0.0001441200000000, -0.0003238000000000 ] - [ -0.0003852800000000, -0.0002971000000000, -0.0000900400000000 ] - [ 0.0004929600000000, 0.0003609300000000, -0.0000596800000000 ] - [ -0.0013548200000000, -0.0009830600000000, -0.0000257600000000 ] - [ 0.0024235500000000, -0.0044427400000000, 0.0014611900000000 ] - [ -0.0015208600000000, -0.0032093400000000, -0.0037586700000000 ] - [ 0.0070171800000000, -0.0004640400000000, -0.0041237100000000 ] - [ -0.0013810900000000, -0.0007147200000000, 0.0008860900000000 ] - [ 0.0005352800000000, -0.0009905500000000, 0.0008862500000000 ] - [ -0.0006266800000000, -0.0014221500000000, -0.0016566600000000 ] - [ 0.0002582200000000, 0.0001299000000000, -0.0003422300000000 ] - [ -0.0012920400000000, -0.0004913600000000, -0.0002650400000000 ] - [ 0.0018070400000000, -0.0003731500000000, 0.0006393800000000 ] - [ -0.0003682400000000, -0.0005196000000000, -0.0003962200000000 ] - [ 0.0008013400000000, -0.0001950800000000, 0.0000482000000000 ] - [ -0.0011079400000000, -0.0006713500000000, -0.0001994800000000 ] - [ 0.0045015100000000, -0.0000288100000000, -0.0004021200000000 ] - [ -0.0020952100000000, -0.0015223300000000, -0.0015973100000000 ] - [ 0.0027751900000000, 0.0012271900000000, -0.0004139900000000 ] - [ -0.0008241500000000, 0.0006215900000000, 0.0005118300000000 ] - [ 0.0002617900000000, -0.0003910000000000, 0.0006556700000000 ] - [ -0.0005323600000000, -0.0001479500000000, -0.0001101900000000 ] - [ 0.0042829100000000, 0.0032015300000000, 0.0007904300000000 ] - [ -0.0001885900000000, 0.0005503600000000, -0.0004724600000000 ] - [ 0.0001096600000000, -0.0007288900000000, -0.0005687600000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012313800000000, -0.0010627700000000, 0.0021286500000000 ] - [ -0.0004867300000000, 0.0018288500000000, 0.0019234600000000 ] - [ 0.0001845400000000, 0.0004248900000000, -0.0003594800000000 ] - [ 0.0001865400000000, -0.0009386400000000, -0.0005172600000000 ] - [ 0.0100449000000000, -0.0128053900000000, -0.0118924900000000 ] - [ -0.0016943000000000, 0.0019169400000000, -0.0026440900000000 ] - [ -0.1172200300000000, 0.0756248600000000, 0.0738764600000000 ] - [ 0.0057053600000000, -0.0002335200000000, 0.0008306500000000 ] - [ -0.0023555100000000, 0.0002946800000000, -0.0007664400000000 ] - [ 0.0010329700000000, 0.0005543800000000, -0.0004690100000000 ] - [ -0.0046436200000000, -0.0004991200000000, -0.0016591700000000 ] - [ 0.0012095000000000, -0.0000700400000000, 0.0000060200000000 ] - [ -0.0038657900000000, 0.0015607900000000, 0.0001638100000000 ] - [ 0.0047034200000000, 0.0008916300000000, -0.0002568000000000 ] - [ 0.0002021400000000, 0.0001168400000000, -0.0001769000000000 ] - [ -0.0014428200000000, -0.0024846100000000, 0.0013361800000000 ] - [ -0.0011457000000000, -0.0004661100000000, -0.0002835200000000 ] - [ 0.0013106600000000, -0.0002220500000000, 0.0003126700000000 ] - [ -0.0014791200000000, -0.0007500900000000, 0.0002277400000000 ] - [ 0.0045204700000000, -0.0007685900000000, 0.0005040800000000 ] - [ -0.0024847200000000, -0.0035059700000000, -0.0042171100000000 ] - [ 0.0061601800000000, 0.0004024500000000, -0.0000889000000000 ] - [ -0.0026275300000000, -0.0003215200000000, 0.0007851200000000 ] - [ 0.0009189400000000, -0.0005982600000000, 0.0007537000000000 ] - [ 0.0001069700000000, 0.0002859600000000, 0.0000395100000000 ] - [ 0.0000145300000000, -0.0001752200000000, 0.0000262200000000 ] - [ 0.0000924700000000, -0.0000757100000000, 0.0000326800000000 ] - [ -0.0002674700000000, 0.0003357100000000, -0.0000946100000000 ] - [ -0.0001647200000000, 0.0007139400000000, -0.0010683800000000 ] - [ 0.0007048200000000, -0.0010212200000000, -0.0012177100000000 ] - [ 0.0000339800000000, 0.0055569700000000, -0.0091573400000000 ] - [ -0.0002095600000000, 0.0003260800000000, 0.0001346400000000 ] - [ -0.0014269300000000, -0.0000044500000000, -0.0004111800000000 ] - [ 0.0014108700000000, 0.0000504100000000, -0.0003088600000000 ] - [ -0.2112539200000000, -0.0185259900000000, -0.0351052500000000 ] - [ 0.0010197800000000, 0.0002490600000000, -0.0003339700000000 ] - [ -0.0110546100000000, -0.0098380600000000, -0.0041206200000000 ] - [ 0.0001089400000000, -0.0005350800000000, 0.0004879200000000 ] - [ -0.0003180400000000, -0.0004638500000000, 0.0000867500000000 ] - [ 0.0015575600000000, 0.0000039000000000, -0.0001062400000000 ] - [ -0.0003492100000000, -0.0014407000000000, 0.0004278700000000 ] - [ 0.0037742400000000, 0.0050733700000000, 0.0009657800000000 ] - [ -0.0015559500000000, -0.0096686800000000, 0.0023596200000000 ] - [ -0.0002900200000000, 0.0001232300000000, 0.0001917200000000 ] - [ 0.0001067900000000, 0.0001351100000000, 0.0004314900000000 ] - [ -0.0001446300000000, 0.0012734200000000, 0.0019069300000000 ] - [ 0.0000381200000000, 0.0000934100000000, 0.0003069400000000 ] - [ -0.0002288800000000, -0.0003795900000000, 0.0003538800000000 ] - [ -0.0012111700000000, -0.0002909900000000, -0.0001450700000000 ] - [ 0.0050179300000000, 0.0005062000000000, 0.0000245600000000 ] - [ -0.0002394700000000, -0.0002013900000000, -0.0003338000000000 ] - [ 0.0005126400000000, 0.0000345600000000, -0.0002953500000000 ] - [ 0.0000650200000000, -0.0008868500000000, -0.0003989200000000 ] - [ 0.0001702800000000, 0.0003877200000000, -0.0000764700000000 ] - [ -0.0004133200000000, 0.0003011900000000, 0.0002151600000000 ] - [ 0.0001978900000000, -0.0001989000000000, 0.0002498000000000 ] - [ -0.0466494700000000, 0.0335886300000000, 0.0300383100000000 ] - [ -0.0064380600000000, 0.0047248000000000, -0.0003298600000000 ] - [ 0.0015215200000000, -0.0003204800000000, 0.0007906800000000 ] - [ -0.0005269300000000, -0.0008518100000000, 0.0008174300000000 ] - [ 0.0020017500000000, -0.0005109800000000, -0.0003791500000000 ] - [ -0.0005023500000000, -0.0000597500000000, -0.0001543500000000 ] - [ 0.0020973400000000, -0.0010438700000000, 0.0005984800000000 ] - [ -0.0028391500000000, -0.0029808500000000, 0.0043248600000000 ] - [ 0.0139133600000000, -0.0009690200000000, -0.0011738200000000 ] - [ -0.0030701800000000, -0.0001829100000000, -0.0005217800000000 ] - [ 0.0013541400000000, -0.0006159900000000, -0.0001455000000000 ] - [ -0.0012627300000000, -0.0007210700000000, 0.0004887400000000 ] - [ 0.4263496500000000, -0.0880679200000000, -0.0590095600000000 ] - [ -0.0023891200000000, 0.0006370300000000, -0.0009520000000000 ] - [ 0.0014244500000000, 0.0002348500000000, 0.0007394700000000 ] - [ -0.0010348900000000, -0.0004571200000000, 0.0004948000000000 ] - [ 0.0061365300000000, 0.0105896600000000, 0.0065304000000000 ] - [ -0.0001531300000000, 0.0004358500000000, 0.0003293200000000 ] - [ 0.0022495500000000, 0.0002183900000000, -0.0008469600000000 ] - [ -0.0028029200000000, 0.0001661600000000, -0.0000981300000000 ] - [ 0.0001777200000000, 0.0000799300000000, 0.0000945700000000 ] - [ -0.0005739400000000, 0.0001040500000000, 0.0002687500000000 ] - [ -0.0585273600000000, 0.0050329100000000, -0.0014154800000000 ] - [ -0.0006590600000000, -0.0011184500000000, -0.0006163400000000 ] - [ 0.0006286800000000, 0.0000759200000000, 0.0000516800000000 ] - [ -0.0007261300000000, -0.0001424500000000, 0.0000230600000000 ] - [ 0.0011159600000000, 0.0007614700000000, -0.0000140000000000 ] - [ -0.0021917000000000, 0.0046667000000000, -0.0015007200000000 ] - [ 0.0013662300000000, 0.0035121900000000, 0.0038075400000000 ] - [ -0.0068242700000000, 0.0001670600000000, 0.0041854500000000 ] - [ 0.0015850600000000, 0.0010133500000000, -0.0008388800000000 ] - [ -0.0007419500000000, 0.0006876500000000, -0.0008411200000000 ] - [ 0.0013108600000000, 0.0008890800000000, 0.0011906400000000 ] - [ -0.0009342900000000, 0.0004133400000000, -0.0001355700000000 ] - [ 0.0006146000000000, -0.0000539800000000, -0.0002139200000000 ] - [ -0.0011311200000000, 0.0009152300000000, -0.0011158100000000 ] - [ 0.0004339700000000, 0.0009338400000000, 0.0004573100000000 ] - [ -0.0008647600000000, -0.0002264000000000, 0.0000162700000000 ] - [ 0.0010449800000000, 0.0010899700000000, 0.0002615300000000 ] - [ -0.0044433100000000, -0.0003938500000000, 0.0004658000000000 ] - [ 0.0013693000000000, 0.0013399200000000, 0.0021494800000000 ] - [ -0.0020514200000000, -0.0010752400000000, 0.0009988300000000 ] - [ 0.0015501400000000, -0.0007724500000000, 0.0000721600000000 ] - [ -0.0009885400000000, 0.0005435900000000, -0.0000715300000000 ] - [ 0.0001795800000000, 0.0014112100000000, -0.0008324200000000 ] - [ -0.0039449100000000, -0.0044786800000000, -0.0017301200000000 ] - [ 0.0005429000000000, 0.0007106800000000, -0.0004701100000000 ] - [ -0.0004666900000000, -0.0005333900000000, -0.0003735400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008836900000000, 0.0001101000000000, 0.0010842800000000 ] - [ -0.0017978300000000, 0.0005510500000000, -0.0001430400000000 ] - [ -0.0005375700000000, -0.0003877600000000, 0.0001761900000000 ] - [ 0.0019485200000000, -0.0010794600000000, -0.0004863400000000 ] - [ 0.0073855100000000, -0.0053329000000000, -0.0029687100000000 ] - [ -0.0014644600000000, 0.0011917700000000, -0.0000359200000000 ] - [ -0.0636933500000000, 0.1511325300000000, 0.1050398700000000 ] - [ 0.0026765700000000, -0.0007701600000000, 0.0008776200000000 ] - [ -0.0009425600000000, 0.0026727100000000, 0.0005474100000000 ] - [ -0.0003340300000000, -0.0003108300000000, 0.0001757800000000 ] - [ -0.0144839900000000, -0.0073050900000000, -0.0102904600000000 ] - [ -0.0004271900000000, -0.0002219500000000, 0.0003081300000000 ] - [ -0.0021251400000000, -0.0003138400000000, 0.0034841600000000 ] - [ 0.0004544400000000, 0.0005080200000000, -0.0001461800000000 ] - [ -0.0031381700000000, -0.0018583300000000, -0.0023680500000000 ] - [ 0.0013851300000000, -0.0012449100000000, 0.0000553300000000 ] - [ -0.0019807700000000, -0.0037029100000000, -0.0032412400000000 ] - [ -0.0005128500000000, 0.0003083600000000, -0.0000478900000000 ] - [ 0.0001918800000000, -0.0032954900000000, 0.0001938600000000 ] - [ 0.0013066400000000, -0.0000518100000000, 0.0004086700000000 ] - [ 0.0059139900000000, -0.0113458000000000, -0.0075714800000000 ] - [ 0.0029195100000000, 0.0004802100000000, -0.0002405700000000 ] - [ 0.0003423200000000, -0.0014022300000000, 0.0018868500000000 ] - [ 0.0004705200000000, -0.0004102700000000, 0.0004434500000000 ] - [ -0.0001261600000000, 0.0005936500000000, -0.0001868100000000 ] - [ -0.0001935800000000, -0.0010244700000000, -0.0001479100000000 ] - [ 0.0001302900000000, -0.0008103200000000, 0.0001761500000000 ] - [ -0.0002746500000000, 0.0011858500000000, 0.0000483500000000 ] - [ -0.0002775100000000, 0.0009284300000000, -0.0008474200000000 ] - [ 0.0009741200000000, -0.0012616900000000, -0.0015766700000000 ] - [ -0.0000708800000000, 0.0012595200000000, -0.0016299300000000 ] - [ -0.0005947900000000, -0.0006414200000000, 0.0000021200000000 ] - [ -0.0003707000000000, 0.0004510100000000, -0.0005495600000000 ] - [ 0.0008562100000000, -0.0000082600000000, -0.0003024800000000 ] - [ 0.0069131700000000, 0.0366450400000000, 0.0084394800000000 ] - [ -0.0002663800000000, 0.0000458300000000, -0.0002464800000000 ] - [ 0.0029380600000000, -0.0123616800000000, -0.0142176000000000 ] - [ -0.0000282700000000, -0.0009627000000000, 0.0006846500000000 ] - [ -0.0004883300000000, -0.0025119100000000, -0.0008595500000000 ] - [ 0.0003384100000000, 0.0007039100000000, -0.0000791300000000 ] - [ -0.0002242100000000, -0.0014445200000000, 0.0004622900000000 ] - [ 0.0005091100000000, 0.0048880100000000, 0.0011394200000000 ] - [ 0.0029859900000000, 0.0000406300000000, 0.0003580400000000 ] - [ 0.0000614200000000, -0.0009021500000000, -0.0000278500000000 ] - [ -0.0000052400000000, -0.0002361300000000, 0.0005810300000000 ] - [ -0.0015353100000000, 0.0002523700000000, 0.0009175800000000 ] - [ 0.0000473800000000, -0.0000057800000000, 0.0002553300000000 ] - [ 0.0001658400000000, 0.0000097100000000, 0.0004394700000000 ] - [ -0.0010100300000000, -0.0007738800000000, -0.0001056300000000 ] - [ -0.0001063200000000, 0.0002357700000000, -0.0002065800000000 ] - [ 0.0006151100000000, -0.0006629500000000, -0.0004680700000000 ] - [ 0.0001575200000000, 0.0001710000000000, -0.0003032500000000 ] - [ 0.0007070200000000, -0.0029883600000000, -0.0015203500000000 ] - [ -0.0000467700000000, 0.0009002700000000, -0.0002844000000000 ] - [ 0.0000086300000000, 0.0016949700000000, 0.0009242100000000 ] - [ 0.0001056600000000, -0.0006478400000000, 0.0004199000000000 ] - [ -0.0219089000000000, 0.0002662600000000, 0.0073551100000000 ] - [ -0.0030219300000000, 0.0021045400000000, -0.0007256100000000 ] - [ 0.0007024600000000, -0.0012012800000000, 0.0000646500000000 ] - [ 0.0004569900000000, 0.0002510800000000, -0.0000095000000000 ] - [ 0.0065504900000000, 0.0016832700000000, 0.0021930100000000 ] - [ 0.0012829500000000, 0.0007375100000000, -0.0002716500000000 ] - [ 0.0017771100000000, -0.0000195700000000, -0.0008053300000000 ] - [ -0.0001410700000000, -0.0010674000000000, 0.0008005300000000 ] - [ -0.0054948900000000, 0.0287113000000000, 0.0435113300000000 ] - [ -0.0012292600000000, 0.0002794400000000, -0.0004225400000000 ] - [ 0.0003399800000000, -0.0013622800000000, -0.0021567500000000 ] - [ 0.0000595300000000, 0.0000541800000000, -0.0000752600000000 ] - [ 0.0896312600000000, -0.2294024800000000, -0.1720223300000000 ] - [ -0.0008804800000000, 0.0007747800000000, -0.0006528200000000 ] - [ -0.0000066300000000, -0.0020770200000000, 0.0003748300000000 ] - [ -0.0002164200000000, 0.0002411000000000, 0.0000581500000000 ] - [ -0.0008439200000000, 0.0401243900000000, 0.0288079000000000 ] - [ 0.0004329400000000, 0.0009180300000000, -0.0002052500000000 ] - [ 0.0012385800000000, 0.0030653300000000, -0.0014996000000000 ] - [ -0.0007897200000000, -0.0005667900000000, 0.0003389900000000 ] - [ -0.0000646000000000, -0.0004557300000000, 0.0002041900000000 ] - [ -0.0003976900000000, 0.0007131300000000, 0.0005804700000000 ] - [ -0.0071406300000000, -0.0089427500000000, 0.0000073000000000 ] - [ 0.0001231700000000, 0.0003666100000000, -0.0004728200000000 ] - [ 0.0015097000000000, 0.0015002800000000, 0.0011553800000000 ] - [ 0.0010097300000000, -0.0004521900000000, 0.0007960400000000 ] - [ -0.0005862700000000, 0.0013023000000000, -0.0002482800000000 ] - [ -0.0011137000000000, 0.0002646500000000, -0.0002841000000000 ] - [ -0.0048596500000000, 0.0031662300000000, 0.0020930500000000 ] - [ -0.0038806200000000, -0.0005328000000000, 0.0022371000000000 ] - [ -0.0006226700000000, 0.0008404800000000, -0.0004927000000000 ] - [ -0.0008886800000000, 0.0004582900000000, -0.0003801000000000 ] - [ 0.0024829700000000, 0.0065770100000000, 0.0070771800000000 ] - [ -0.0003699200000000, 0.0002609100000000, -0.0001124400000000 ] - [ -0.0005892600000000, 0.0013819900000000, -0.0005898600000000 ] - [ -0.0000868800000000, 0.0005734000000000, -0.0005580200000000 ] - [ -0.0006935200000000, 0.0038711700000000, 0.0022402200000000 ] - [ -0.0000158600000000, -0.0009514500000000, 0.0004223300000000 ] - [ 0.0008500900000000, 0.0032452200000000, 0.0004465200000000 ] - [ -0.0001595900000000, -0.0007749200000000, 0.0002092200000000 ] - [ 0.0007117900000000, 0.0056634400000000, 0.0054888900000000 ] - [ -0.0006107900000000, -0.0010311500000000, 0.0010617200000000 ] - [ 0.0005013000000000, -0.0006123400000000, -0.0007856800000000 ] - [ -0.0006305200000000, 0.0007759300000000, -0.0000105900000000 ] - [ 0.0000790100000000, 0.0018685100000000, -0.0009318100000000 ] - [ 0.0016968700000000, -0.0033005000000000, -0.0014837100000000 ] - [ 0.0001334500000000, 0.0014165800000000, -0.0003902100000000 ] - [ -0.0006619300000000, -0.0013896100000000, -0.0003672300000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008773800000000, -0.0001106200000000, -0.0009397800000000 ] - [ 0.0017919800000000, -0.0005360100000000, 0.0003023600000000 ] - [ 0.0005428300000000, 0.0003865200000000, -0.0000317500000000 ] - [ -0.0019662500000000, 0.0010776300000000, 0.0006281600000000 ] - [ -0.0073946200000000, 0.0053590500000000, 0.0023540300000000 ] - [ 0.0014433400000000, -0.0011756400000000, -0.0006148700000000 ] - [ 0.0587590700000000, -0.1475776400000000, -0.0990291300000000 ] - [ -0.0022657900000000, 0.0004580100000000, -0.0002481100000000 ] - [ 0.0013248900000000, -0.0023606800000000, 0.0000760300000000 ] - [ -0.0000618800000000, 0.0000014700000000, 0.0004504000000000 ] - [ 0.0142790400000000, 0.0071295300000000, 0.0104134300000000 ] - [ 0.0007657800000000, 0.0004226300000000, -0.0002421300000000 ] - [ 0.0024278200000000, 0.0001243800000000, -0.0033990100000000 ] - [ -0.0007545800000000, -0.0002973000000000, 0.0002074300000000 ] - [ 0.0031613300000000, 0.0018635900000000, 0.0017440200000000 ] - [ -0.0014115000000000, 0.0012261000000000, -0.0006783600000000 ] - [ 0.0015994600000000, 0.0040379100000000, 0.0038948100000000 ] - [ 0.0009239500000000, -0.0006329700000000, 0.0006842100000000 ] - [ 0.0001922900000000, 0.0036232700000000, 0.0004281400000000 ] - [ -0.0016857500000000, -0.0002824300000000, 0.0002333400000000 ] - [ -0.0062237100000000, 0.0111196300000000, 0.0076953700000000 ] - [ -0.0025785600000000, -0.0002775900000000, 0.0003110900000000 ] - [ -0.0000322500000000, 0.0012012000000000, -0.0018306100000000 ] - [ -0.0007984700000000, 0.0006059800000000, -0.0003681600000000 ] - [ -0.0001979700000000, -0.0011045800000000, 0.0004203500000000 ] - [ 0.0005213300000000, 0.0015372100000000, 0.0003820000000000 ] - [ 0.0001926900000000, 0.0003081200000000, 0.0000548300000000 ] - [ -0.0000522000000000, -0.0006824200000000, 0.0001835300000000 ] - [ 0.0000448700000000, -0.0003851500000000, 0.0010169000000000 ] - [ -0.0007373600000000, 0.0007159100000000, 0.0017432900000000 ] - [ 0.0002976300000000, -0.0006706600000000, 0.0017188800000000 ] - [ 0.0003576800000000, 0.0001005800000000, 0.0001657000000000 ] - [ -0.0003032300000000, -0.0006550100000000, 0.0000392800000000 ] - [ -0.0001751800000000, 0.0002120200000000, -0.0002070700000000 ] - [ -0.0079902800000000, -0.0373800100000000, -0.0094797900000000 ] - [ -0.0004064900000000, 0.0001592500000000, -0.0002633000000000 ] - [ -0.0028183100000000, 0.0120993200000000, 0.0145421800000000 ] - [ -0.0001480900000000, 0.0009064100000000, -0.0002667700000000 ] - [ 0.0003102000000000, 0.0025757400000000, 0.0012797000000000 ] - [ -0.0001525000000000, -0.0007670500000000, 0.0004964800000000 ] - [ -0.0000990100000000, 0.0009398200000000, -0.0002305300000000 ] - [ -0.0001817200000000, -0.0043701300000000, -0.0009048400000000 ] - [ -0.0026852100000000, -0.0006312800000000, -0.0001077200000000 ] - [ -0.0003898000000000, 0.0014143600000000, 0.0002619100000000 ] - [ -0.0002284200000000, 0.0007815700000000, -0.0004141900000000 ] - [ 0.0017734000000000, -0.0008068000000000, -0.0007618200000000 ] - [ 0.0001861800000000, 0.0005490700000000, -0.0000850700000000 ] - [ -0.0004040700000000, -0.0005581800000000, -0.0002711600000000 ] - [ 0.0003404800000000, 0.0005719800000000, -0.0004051900000000 ] - [ 0.0007927700000000, -0.0000321700000000, -0.0003028900000000 ] - [ 0.0000486700000000, 0.0004612000000000, -0.0000408400000000 ] - [ -0.0008313800000000, 0.0000303900000000, -0.0002062300000000 ] - [ -0.0005287500000000, 0.0030573600000000, 0.0019394300000000 ] - [ -0.0001289900000000, -0.0009655100000000, 0.0007068100000000 ] - [ -0.0001872900000000, -0.0016407200000000, -0.0005041700000000 ] - [ 0.0000717400000000, 0.0005904500000000, -0.0000008200000000 ] - [ 0.0220314700000000, -0.0005199100000000, -0.0073127800000000 ] - [ 0.0027748700000000, -0.0018870500000000, 0.0006868100000000 ] - [ -0.0009277200000000, 0.0009837900000000, -0.0000956100000000 ] - [ -0.0002177600000000, -0.0000420400000000, -0.0000217400000000 ] - [ -0.0068048000000000, -0.0013841100000000, -0.0021579500000000 ] - [ -0.0010912000000000, -0.0010433500000000, 0.0003180300000000 ] - [ -0.0015552900000000, 0.0003118000000000, 0.0008490500000000 ] - [ -0.0000759000000000, 0.0007430500000000, -0.0007206400000000 ] - [ 0.0061330900000000, -0.0291008500000000, -0.0432825200000000 ] - [ 0.0005438400000000, 0.0002586900000000, -0.0000557100000000 ] - [ -0.0010096600000000, 0.0008131500000000, 0.0016771700000000 ] - [ 0.0006083500000000, 0.0004789600000000, -0.0003939300000000 ] - [ -0.0828502100000000, 0.2281807800000000, 0.1671407200000000 ] - [ 0.0008145000000000, -0.0012015300000000, 0.0007174900000000 ] - [ -0.0000502800000000, 0.0025036400000000, -0.0003057600000000 ] - [ 0.0002732200000000, -0.0006693900000000, 0.0000093900000000 ] - [ 0.0002936000000000, -0.0411750400000000, -0.0288720500000000 ] - [ 0.0002900800000000, -0.0007672600000000, 0.0007908700000000 ] - [ -0.0005074900000000, -0.0032031000000000, 0.0020630400000000 ] - [ 0.0000512100000000, 0.0007212400000000, 0.0002444000000000 ] - [ -0.0002933900000000, 0.0017205700000000, -0.0011459700000000 ] - [ 0.0007487200000000, -0.0019798300000000, -0.0015215100000000 ] - [ 0.0070991900000000, 0.0102581100000000, -0.0009239400000000 ] - [ -0.0004771400000000, -0.0016380600000000, -0.0004690900000000 ] - [ -0.0012866800000000, -0.0017252800000000, -0.0011978400000000 ] - [ -0.0012604200000000, 0.0006760500000000, -0.0008380500000000 ] - [ 0.0003650500000000, -0.0015212600000000, 0.0002163600000000 ] - [ 0.0013476400000000, -0.0000037900000000, 0.0002342900000000 ] - [ 0.0046417900000000, -0.0028675400000000, -0.0020590500000000 ] - [ 0.0040744500000000, 0.0002297100000000, -0.0021903600000000 ] - [ 0.0008443800000000, -0.0005346600000000, 0.0005353100000000 ] - [ 0.0006878500000000, -0.0007555700000000, 0.0004186900000000 ] - [ -0.0018235500000000, -0.0071752600000000, -0.0076168100000000 ] - [ -0.0003098800000000, 0.0002862700000000, -0.0003656700000000 ] - [ -0.0000820300000000, -0.0019276800000000, 0.0001185900000000 ] - [ 0.0007575900000000, -0.0000208000000000, 0.0000707100000000 ] - [ 0.0007623800000000, -0.0034615600000000, -0.0021862800000000 ] - [ -0.0000519100000000, 0.0005369600000000, -0.0003623400000000 ] - [ -0.0009117700000000, -0.0028310500000000, -0.0003782600000000 ] - [ 0.0002076600000000, 0.0003609800000000, -0.0001451800000000 ] - [ -0.0014314900000000, -0.0058025200000000, -0.0048999700000000 ] - [ 0.0013318400000000, 0.0011850200000000, -0.0004833900000000 ] - [ 0.0002286600000000, 0.0004616900000000, 0.0013684800000000 ] - [ -0.0000985700000000, -0.0006224600000000, 0.0005897700000000 ] - [ -0.0004387200000000, -0.0006094500000000, -0.0000071300000000 ] - [ -0.0013474700000000, 0.0020387400000000, 0.0005461900000000 ] - [ 0.0002298500000000, -0.0001589400000000, -0.0005515200000000 ] - [ 0.0003095700000000, 0.0001329900000000, -0.0005741100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011810900000000, 0.0005490000000000, 0.0004654500000000 ] - [ -0.0017444100000000, 0.0000561700000000, -0.0002208600000000 ] - [ 0.0000723100000000, 0.0000871100000000, -0.0000338100000000 ] - [ 0.0011524400000000, -0.0006280500000000, -0.0001997100000000 ] - [ 0.0065246700000000, -0.0026135000000000, -0.0039478500000000 ] - [ 0.0016896200000000, 0.0003900500000000, -0.0014568700000000 ] - [ -0.0624780200000000, 0.1042339600000000, 0.1423857800000000 ] - [ 0.0024304400000000, -0.0005455200000000, 0.0009189900000000 ] - [ 0.0011871300000000, -0.0012353400000000, -0.0046611800000000 ] - [ 0.0003534300000000, 0.0000438500000000, -0.0000797200000000 ] - [ -0.0077758000000000, -0.0046914000000000, -0.0065182000000000 ] - [ -0.0001605500000000, -0.0000187000000000, 0.0002218300000000 ] - [ 0.0008687700000000, 0.0048521600000000, -0.0005504500000000 ] - [ 0.0009834700000000, 0.0002251100000000, 0.0001889400000000 ] - [ -0.0018656100000000, -0.0011591400000000, -0.0016690200000000 ] - [ -0.0001074900000000, 0.0000135400000000, 0.0004971600000000 ] - [ -0.0011177600000000, -0.0019067300000000, -0.0021577600000000 ] - [ -0.0002129600000000, 0.0000663000000000, 0.0000618000000000 ] - [ 0.0000718100000000, -0.0006121300000000, 0.0016289700000000 ] - [ 0.0005110700000000, -0.0001117000000000, 0.0004010200000000 ] - [ 0.0063544700000000, -0.0077086000000000, -0.0109915200000000 ] - [ 0.0021160000000000, 0.0002975600000000, -0.0003470400000000 ] - [ -0.0003307500000000, 0.0013007900000000, 0.0004555900000000 ] - [ 0.0000380900000000, -0.0001105300000000, 0.0001303200000000 ] - [ -0.0001548700000000, 0.0000843500000000, -0.0001541300000000 ] - [ -0.0000747200000000, -0.0003963800000000, -0.0000867600000000 ] - [ 0.0001106300000000, -0.0002864600000000, -0.0000514500000000 ] - [ 0.0000143800000000, 0.0001837700000000, -0.0002672900000000 ] - [ -0.0001789500000000, 0.0008003500000000, -0.0008155400000000 ] - [ 0.0008655600000000, -0.0011534900000000, -0.0015356000000000 ] - [ 0.0028032000000000, 0.0000733400000000, 0.0006560400000000 ] - [ 0.0001652700000000, 0.0001197900000000, 0.0008441600000000 ] - [ -0.0007744800000000, 0.0000353700000000, -0.0009801200000000 ] - [ 0.0007698500000000, 0.0000555200000000, -0.0003183500000000 ] - [ 0.0242973600000000, 0.0093364000000000, 0.0374459500000000 ] - [ 0.0001040200000000, 0.0000779700000000, -0.0002424100000000 ] - [ 0.0010240200000000, -0.0123955500000000, 0.0004320100000000 ] - [ -0.0000310800000000, -0.0005479800000000, 0.0005273200000000 ] - [ 0.0000194300000000, 0.0001499400000000, 0.0011446500000000 ] - [ 0.0002519500000000, 0.0000879500000000, 0.0002716800000000 ] - [ -0.0003100700000000, -0.0010741800000000, 0.0004946600000000 ] - [ 0.0009994900000000, 0.0032142600000000, 0.0015714400000000 ] - [ 0.0004626500000000, -0.0008243200000000, 0.0002024600000000 ] - [ -0.0001634900000000, -0.0000628300000000, 0.0001740700000000 ] - [ -0.0000774800000000, 0.0000395000000000, 0.0004421800000000 ] - [ -0.0009428200000000, 0.0000000200000000, 0.0012750100000000 ] - [ 0.0000930500000000, 0.0002159400000000, 0.0000115100000000 ] - [ -0.0002646100000000, -0.0003086400000000, -0.0002465200000000 ] - [ -0.0008925300000000, -0.0003286900000000, 0.0000254100000000 ] - [ 0.0007233300000000, 0.0002006500000000, -0.0001878300000000 ] - [ 0.0003221100000000, -0.0003568700000000, -0.0005254500000000 ] - [ -0.0000053900000000, 0.0001178000000000, -0.0003181800000000 ] - [ 0.0005409800000000, -0.0023133500000000, -0.0010403100000000 ] - [ -0.0000513800000000, 0.0005090600000000, -0.0001637500000000 ] - [ -0.0002031200000000, -0.0000044900000000, -0.0007121900000000 ] - [ 0.0001208200000000, -0.0001823600000000, 0.0001925000000000 ] - [ -0.0173085300000000, 0.0056141300000000, -0.0028100700000000 ] - [ -0.0032013000000000, 0.0022202300000000, -0.0006674300000000 ] - [ -0.0008346400000000, -0.0002093100000000, 0.0011567800000000 ] - [ -0.0005906000000000, -0.0001793400000000, 0.0005901200000000 ] - [ 0.0038429800000000, 0.0012470000000000, 0.0011028500000000 ] - [ 0.0007958700000000, 0.0003381500000000, -0.0001742000000000 ] - [ -0.0010219200000000, -0.0007426100000000, 0.0003528800000000 ] - [ -0.0012396100000000, -0.0002266800000000, -0.0000175900000000 ] - [ -0.0049890200000000, 0.0432025500000000, 0.0299523300000000 ] - [ -0.0010299900000000, 0.0002714700000000, -0.0003557000000000 ] - [ -0.0011973900000000, -0.0024762800000000, 0.0041668100000000 ] - [ 0.0000254900000000, 0.0000475600000000, -0.0000320300000000 ] - [ 0.0589782600000000, -0.1721069400000000, -0.2019482600000000 ] - [ -0.0010168700000000, 0.0004753900000000, -0.0006159300000000 ] - [ 0.0006777800000000, 0.0005478400000000, 0.0026034200000000 ] - [ -0.0004311200000000, -0.0002349500000000, 0.0003184000000000 ] - [ -0.0010019400000000, 0.0264313000000000, 0.0110221000000000 ] - [ 0.0003724700000000, 0.0004889100000000, -0.0000517200000000 ] - [ 0.0009548300000000, -0.0018920800000000, -0.0010038100000000 ] - [ -0.0008361300000000, 0.0000158300000000, -0.0001082700000000 ] - [ 0.0001019800000000, 0.0001008400000000, 0.0004767900000000 ] - [ -0.0002658100000000, 0.0001693000000000, 0.0006798600000000 ] - [ -0.0021769500000000, 0.0012199000000000, -0.0094279000000000 ] - [ -0.0003592700000000, -0.0005187500000000, -0.0011124000000000 ] - [ 0.0008338000000000, 0.0007567000000000, 0.0008371700000000 ] - [ 0.0005443900000000, -0.0001170200000000, 0.0005390400000000 ] - [ -0.0002242800000000, 0.0002139500000000, -0.0005899300000000 ] - [ -0.0002865400000000, 0.0003612100000000, -0.0004110900000000 ] - [ -0.0048662700000000, 0.0021979600000000, 0.0025249600000000 ] - [ -0.0023532600000000, -0.0006558200000000, 0.0013539000000000 ] - [ 0.0005185500000000, -0.0002246800000000, -0.0001000000000000 ] - [ -0.0002309200000000, -0.0000449400000000, -0.0001242000000000 ] - [ 0.0014046400000000, 0.0033411000000000, 0.0041915000000000 ] - [ -0.0003654400000000, 0.0002516800000000, -0.0001619800000000 ] - [ -0.0002026100000000, -0.0005512800000000, -0.0010451200000000 ] - [ 0.0001089000000000, 0.0003932700000000, -0.0003858500000000 ] - [ -0.0003943000000000, 0.0024278900000000, 0.0017510800000000 ] - [ -0.0000478800000000, -0.0006029200000000, 0.0003343400000000 ] - [ 0.0001993900000000, 0.0006257800000000, -0.0008409000000000 ] - [ -0.0004116800000000, -0.0003876300000000, 0.0000043000000000 ] - [ 0.0007531000000000, 0.0045870300000000, 0.0060225900000000 ] - [ -0.0003140000000000, -0.0005741800000000, 0.0009717300000000 ] - [ 0.0007156700000000, -0.0009834600000000, 0.0010690300000000 ] - [ -0.0004846500000000, 0.0003158900000000, 0.0003025900000000 ] - [ 0.0001315500000000, 0.0012833700000000, -0.0009728700000000 ] - [ -0.0000044000000000, -0.0025196400000000, -0.0018725200000000 ] - [ 0.0002468600000000, 0.0008421700000000, -0.0001637700000000 ] - [ -0.0004616300000000, -0.0005805200000000, 0.0000819400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011890200000000, -0.0005504100000000, -0.0003222800000000 ] - [ 0.0017330700000000, -0.0000441800000000, 0.0003770900000000 ] - [ -0.0000691400000000, -0.0000865500000000, 0.0001765700000000 ] - [ -0.0011550400000000, 0.0006235900000000, 0.0003387200000000 ] - [ -0.0065228000000000, 0.0026358100000000, 0.0033395600000000 ] - [ -0.0017186100000000, -0.0003822200000000, 0.0008104000000000 ] - [ 0.0581023200000000, -0.0988400000000000, -0.1392412600000000 ] - [ -0.0020192300000000, 0.0002302900000000, -0.0002879100000000 ] - [ -0.0008118000000000, 0.0015638000000000, 0.0053090600000000 ] - [ -0.0007527000000000, -0.0003563600000000, 0.0007078900000000 ] - [ 0.0074385100000000, 0.0044834900000000, 0.0065879600000000 ] - [ 0.0004946000000000, 0.0002201500000000, -0.0001551800000000 ] - [ -0.0005561400000000, -0.0050908500000000, 0.0006117100000000 ] - [ -0.0012918500000000, -0.0000150300000000, -0.0001276500000000 ] - [ 0.0018707700000000, 0.0011589900000000, 0.0010349900000000 ] - [ 0.0000914700000000, -0.0000301900000000, -0.0011180700000000 ] - [ 0.0007203700000000, 0.0022228200000000, 0.0027874200000000 ] - [ 0.0006192000000000, -0.0003865700000000, 0.0005717500000000 ] - [ 0.0003160300000000, 0.0009272700000000, -0.0009987300000000 ] - [ -0.0008865100000000, -0.0002163900000000, 0.0002376200000000 ] - [ -0.0066416200000000, 0.0075349800000000, 0.0110236000000000 ] - [ -0.0017726900000000, -0.0000948400000000, 0.0004167400000000 ] - [ 0.0006412600000000, -0.0015001700000000, -0.0003825500000000 ] - [ -0.0003633700000000, 0.0003072500000000, -0.0000562600000000 ] - [ -0.0001686700000000, -0.0005901500000000, 0.0003855100000000 ] - [ 0.0004002800000000, 0.0009033100000000, 0.0003186000000000 ] - [ 0.0002127800000000, -0.0002192000000000, 0.0002826700000000 ] - [ -0.0003424200000000, 0.0003261900000000, 0.0004995800000000 ] - [ -0.0000538300000000, -0.0002556600000000, 0.0009837600000000 ] - [ -0.0006266000000000, 0.0006050300000000, 0.0016981200000000 ] - [ -0.0025769200000000, 0.0005071800000000, -0.0005591200000000 ] - [ -0.0004030500000000, -0.0006631900000000, -0.0006795700000000 ] - [ 0.0001054100000000, -0.0002368300000000, 0.0004697000000000 ] - [ -0.0000898800000000, 0.0001480900000000, -0.0001919000000000 ] - [ -0.0250952600000000, -0.0097885000000000, -0.0388485400000000 ] - [ -0.0007769600000000, 0.0001267500000000, -0.0002678800000000 ] - [ -0.0008691200000000, 0.0124386300000000, 0.0000524400000000 ] - [ -0.0001454200000000, 0.0004893000000000, -0.0001083400000000 ] - [ -0.0001973200000000, -0.0000917100000000, -0.0007228700000000 ] - [ -0.0000667800000000, -0.0001477900000000, 0.0001446000000000 ] - [ -0.0000134200000000, 0.0005669400000000, -0.0002624300000000 ] - [ -0.0006585100000000, -0.0027045400000000, -0.0013436000000000 ] - [ -0.0001593100000000, 0.0002441800000000, 0.0000438600000000 ] - [ -0.0001629800000000, 0.0005701900000000, 0.0000588500000000 ] - [ -0.0001565900000000, 0.0005053700000000, -0.0002738700000000 ] - [ 0.0011805600000000, -0.0005418100000000, -0.0011055100000000 ] - [ 0.0001408000000000, 0.0003278100000000, 0.0001581800000000 ] - [ 0.0000279800000000, -0.0002371500000000, 0.0004155700000000 ] - [ 0.0002190000000000, 0.0001252200000000, -0.0005352200000000 ] - [ -0.0000315100000000, 0.0000034100000000, -0.0003215800000000 ] - [ 0.0003464900000000, 0.0001529400000000, 0.0000146400000000 ] - [ -0.0006678300000000, 0.0000846400000000, -0.0001919700000000 ] - [ -0.0003626100000000, 0.0023643200000000, 0.0014603800000000 ] - [ -0.0001245900000000, -0.0005698500000000, 0.0005839500000000 ] - [ 0.0000251900000000, 0.0000684100000000, 0.0011312300000000 ] - [ 0.0000566300000000, 0.0001234100000000, 0.0002268600000000 ] - [ 0.0174769400000000, -0.0057815600000000, 0.0027222100000000 ] - [ 0.0029538500000000, -0.0019984400000000, 0.0006263100000000 ] - [ 0.0006158900000000, -0.0000102400000000, -0.0011923500000000 ] - [ 0.0008327000000000, 0.0003942600000000, -0.0006247800000000 ] - [ -0.0040478300000000, -0.0009452400000000, -0.0010597100000000 ] - [ -0.0005955800000000, -0.0006393600000000, 0.0002186500000000 ] - [ 0.0012459800000000, 0.0010464600000000, -0.0003075400000000 ] - [ 0.0010295400000000, -0.0000933100000000, 0.0000928300000000 ] - [ 0.0056266300000000, -0.0429477800000000, -0.0301230000000000 ] - [ 0.0003456800000000, 0.0002685600000000, -0.0001240500000000 ] - [ 0.0005270300000000, 0.0019664400000000, -0.0046945700000000 ] - [ 0.0006445600000000, 0.0004882800000000, -0.0004397800000000 ] - [ -0.0530409000000000, 0.1670304600000000, 0.2002008200000000 ] - [ 0.0009486400000000, -0.0008983000000000, 0.0006790700000000 ] - [ -0.0007417400000000, -0.0001309100000000, -0.0025391500000000 ] - [ 0.0004918300000000, -0.0001896100000000, -0.0002524700000000 ] - [ 0.0003576800000000, -0.0268556500000000, -0.0104739000000000 ] - [ 0.0003518500000000, -0.0003353200000000, 0.0006361300000000 ] - [ -0.0002274800000000, 0.0017429900000000, 0.0015909500000000 ] - [ 0.0000995700000000, 0.0001368900000000, 0.0006935800000000 ] - [ -0.0004632400000000, 0.0011601100000000, -0.0014201800000000 ] - [ 0.0006178800000000, -0.0014287800000000, -0.0016206700000000 ] - [ 0.0021916600000000, 0.0000930500000000, 0.0084797200000000 ] - [ 0.0000049800000000, -0.0007459100000000, 0.0001689800000000 ] - [ -0.0005987500000000, -0.0009757100000000, -0.0008746400000000 ] - [ -0.0007866700000000, 0.0003372200000000, -0.0005772800000000 ] - [ -0.0000026800000000, -0.0004289200000000, 0.0005524200000000 ] - [ 0.0005147700000000, -0.0001076500000000, 0.0003610500000000 ] - [ 0.0046334400000000, -0.0019007700000000, -0.0024798600000000 ] - [ 0.0025447900000000, 0.0003521700000000, -0.0013089900000000 ] - [ -0.0003014800000000, 0.0005293500000000, 0.0001377400000000 ] - [ 0.0000261900000000, -0.0002508300000000, 0.0001619300000000 ] - [ -0.0007247500000000, -0.0038811500000000, -0.0046722500000000 ] - [ -0.0003136400000000, 0.0002938900000000, -0.0003155600000000 ] - [ -0.0004687600000000, 0.0000087600000000, 0.0005666700000000 ] - [ 0.0005606200000000, 0.0001575900000000, -0.0001004300000000 ] - [ 0.0004607500000000, -0.0020007200000000, -0.0016845200000000 ] - [ -0.0000198000000000, 0.0001848100000000, -0.0002722800000000 ] - [ -0.0002606000000000, -0.0002017300000000, 0.0009055400000000 ] - [ 0.0004572000000000, -0.0000299400000000, 0.0000606700000000 ] - [ -0.0014715200000000, -0.0047215400000000, -0.0054057700000000 ] - [ 0.0010358300000000, 0.0007259400000000, -0.0003905300000000 ] - [ 0.0000169200000000, 0.0008230600000000, -0.0004875600000000 ] - [ -0.0002449400000000, -0.0001606100000000, 0.0002776700000000 ] - [ -0.0004897500000000, -0.0000216500000000, 0.0000289400000000 ] - [ 0.0003444000000000, 0.0012532400000000, 0.0009284600000000 ] - [ 0.0001148800000000, 0.0004192200000000, -0.0007800200000000 ] - [ 0.0001067900000000, -0.0006807700000000, -0.0010257600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000375000000000, 0.0002216900000000, 0.0001274200000000 ] - [ -0.0000481400000000, -0.0002616900000000, -0.0001290600000000 ] - [ 0.0000537500000000, -0.0001668100000000, -0.0000350700000000 ] - [ 0.0014771800000000, 0.0000251200000000, 0.0000947800000000 ] - [ -0.0000043200000000, 0.0001155200000000, -0.0002569000000000 ] - [ -0.0002669900000000, -0.0009039400000000, -0.0001493300000000 ] - [ -0.0000731300000000, 0.0002288400000000, 0.0004281000000000 ] - [ -0.0003632600000000, -0.0001818400000000, 0.0003208000000000 ] - [ 0.0015596400000000, -0.0004688500000000, 0.0010870700000000 ] - [ -0.0009749100000000, -0.0004709000000000, 0.0005676300000000 ] - [ 0.1627727200000000, 0.0663778500000000, 0.0902541600000000 ] - [ -0.0044991300000000, 0.0004165600000000, 0.0006726600000000 ] - [ 0.0008659100000000, -0.0005903000000000, -0.0001828000000000 ] - [ -0.0017239800000000, 0.0000508000000000, -0.0000572800000000 ] - [ -0.0102740700000000, -0.0098186500000000, -0.0105283700000000 ] - [ -0.0011639600000000, 0.0006051100000000, -0.0024874400000000 ] - [ 0.0018714500000000, -0.0026910500000000, -0.0028002300000000 ] - [ -0.0042361400000000, 0.0005073300000000, 0.0002455600000000 ] - [ 0.0034480500000000, 0.0030555500000000, -0.0011903300000000 ] - [ -0.0035976400000000, -0.0006034000000000, 0.0006941400000000 ] - [ 0.0003866000000000, -0.0002389700000000, -0.0000812100000000 ] - [ -0.0005242400000000, 0.0001343900000000, 0.0000446900000000 ] - [ 0.0020273400000000, -0.0002641900000000, -0.0015557700000000 ] - [ -0.0016226300000000, 0.0003788600000000, -0.0004432000000000 ] - [ -0.0001998600000000, 0.0007810800000000, -0.0005764900000000 ] - [ -0.0001749200000000, -0.0008376500000000, -0.0001876900000000 ] - [ 0.0001021600000000, -0.0002221500000000, 0.0001221000000000 ] - [ -0.0003211100000000, -0.0002428100000000, 0.0006077000000000 ] - [ -0.0003111000000000, 0.0004344400000000, -0.0002026900000000 ] - [ 0.0002665700000000, -0.0004013800000000, -0.0001521800000000 ] - [ -0.0007725100000000, -0.0006482000000000, 0.0005736500000000 ] - [ -0.0000536200000000, -0.0002900200000000, 0.0001337900000000 ] - [ 0.0008537700000000, 0.0001261100000000, -0.0004498100000000 ] - [ -0.0002757000000000, 0.0000166900000000, -0.0003198700000000 ] - [ 0.0022051000000000, -0.0030479700000000, -0.0018144800000000 ] - [ -0.0009635500000000, 0.0001044200000000, -0.0002319300000000 ] - [ 0.0763011700000000, -0.0843482300000000, -0.0459613400000000 ] - [ -0.0001774200000000, -0.0002859500000000, 0.0004496200000000 ] - [ 0.0000618800000000, 0.0001488100000000, 0.0003658100000000 ] - [ -0.0002741700000000, 0.0000354400000000, 0.0002224400000000 ] - [ -0.0003009700000000, -0.0006090800000000, 0.0001856500000000 ] - [ 0.0005621900000000, 0.0014202800000000, 0.0004025000000000 ] - [ -0.0012961100000000, -0.0005357800000000, -0.0009700300000000 ] - [ -0.0003552200000000, 0.0008960200000000, 0.0002365800000000 ] - [ -0.0001481800000000, -0.0006424900000000, 0.0010193400000000 ] - [ -0.0026807500000000, 0.0022583300000000, 0.0044363500000000 ] - [ 0.0000800300000000, 0.0003852000000000, -0.0000527800000000 ] - [ 0.0000239000000000, -0.0001455000000000, 0.0001697100000000 ] - [ 0.0010276800000000, -0.0004131500000000, -0.0000222500000000 ] - [ -0.0021390100000000, 0.0000730200000000, -0.0002429400000000 ] - [ 0.0016096100000000, -0.0001387100000000, -0.0002586100000000 ] - [ -0.0022317100000000, 0.0001074000000000, -0.0001327100000000 ] - [ 0.0002497900000000, -0.0004884300000000, -0.0001132900000000 ] - [ -0.0002914800000000, 0.0002938700000000, 0.0000203900000000 ] - [ 0.0002246500000000, 0.0001899100000000, 0.0001996600000000 ] - [ -0.0000405800000000, -0.0000752700000000, 0.0001523100000000 ] - [ -0.0007299100000000, -0.0005668900000000, -0.0000533200000000 ] - [ 0.0002066500000000, 0.0002452300000000, -0.0000574700000000 ] - [ -0.0005055500000000, 0.0005865700000000, -0.0003102800000000 ] - [ 0.0006718600000000, 0.0004207600000000, -0.0002089300000000 ] - [ 0.0458227800000000, 0.0210460400000000, 0.0279282100000000 ] - [ 0.0060550800000000, 0.0027068300000000, -0.0005047600000000 ] - [ -0.0002648200000000, 0.0003981600000000, 0.0000204600000000 ] - [ 0.0009119300000000, 0.0004586300000000, -0.0003056800000000 ] - [ 0.0000363100000000, -0.0002701700000000, -0.0003090200000000 ] - [ 0.0000262600000000, 0.0002992100000000, -0.0002082000000000 ] - [ -0.0008333600000000, 0.0000316600000000, -0.0002120500000000 ] - [ 0.0008682800000000, 0.0004726900000000, -0.0004174500000000 ] - [ -0.0065084500000000, -0.0004939600000000, -0.0007307200000000 ] - [ 0.0004835300000000, -0.0001424200000000, 0.0000237900000000 ] - [ -0.0012171700000000, 0.0000729700000000, -0.0003168200000000 ] - [ 0.0006559200000000, 0.0000537500000000, -0.0000876900000000 ] - [ -0.2653205500000000, 0.0041695800000000, -0.0645380800000000 ] - [ 0.0023878800000000, 0.0003875100000000, -0.0006081000000000 ] - [ -0.0000668100000000, 0.0001160500000000, 0.0003530100000000 ] - [ 0.0003469100000000, -0.0002123300000000, 0.0004433400000000 ] - [ -0.0005998800000000, -0.0001609900000000, 0.0001059600000000 ] - [ 0.0005404800000000, 0.0001263700000000, -0.0001640500000000 ] - [ 0.0008130400000000, 0.0024814100000000, 0.0006088800000000 ] - [ 0.0001681600000000, -0.0009594500000000, -0.0005549600000000 ] - [ -0.0010845300000000, 0.0032620900000000, 0.0030517900000000 ] - [ 0.0056243600000000, -0.0007451300000000, 0.0034279300000000 ] - [ -0.0003231500000000, -0.0019169500000000, 0.0017892700000000 ] - [ 0.0026451100000000, -0.0000378400000000, 0.0010161100000000 ] - [ -0.0004719300000000, 0.0002058300000000, 0.0000887700000000 ] - [ 0.0004861800000000, -0.0003301400000000, 0.0001270300000000 ] - [ -0.0007025700000000, -0.0000727500000000, 0.0007764300000000 ] - [ 0.0011366100000000, -0.0005291800000000, 0.0007134000000000 ] - [ -0.0121419900000000, 0.0010037200000000, -0.0004459300000000 ] - [ 0.0020035200000000, 0.0001611200000000, -0.0005088200000000 ] - [ -0.0016771500000000, -0.0004214100000000, 0.0005576100000000 ] - [ 0.0015547800000000, 0.0000046900000000, 0.0000405600000000 ] - [ -0.0016972700000000, 0.0012784300000000, 0.0011424400000000 ] - [ 0.0023731400000000, -0.0011776300000000, 0.0007039500000000 ] - [ -0.0019202700000000, -0.0006623400000000, -0.0005592700000000 ] - [ 0.0024696400000000, 0.0002109200000000, -0.0004355100000000 ] - [ -0.0006624900000000, 0.0002175400000000, 0.0004373200000000 ] - [ 0.0007665600000000, 0.0000098200000000, 0.0003429500000000 ] - [ -0.0006417800000000, 0.0000617500000000, 0.0011115400000000 ] - [ 0.0003596900000000, -0.0000393500000000, 0.0007803000000000 ] - [ -0.0007569400000000, 0.0013941000000000, -0.0011102700000000 ] - [ 0.0024312300000000, -0.0023848100000000, -0.0030452800000000 ] - [ -0.0004150300000000, 0.0003473200000000, -0.0006844600000000 ] - [ 0.0010076200000000, -0.0004622200000000, -0.0014625000000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000444200000000, -0.0002202000000000, 0.0000116200000000 ] - [ 0.0000543900000000, 0.0002636100000000, 0.0002755300000000 ] - [ -0.0000585400000000, 0.0001663600000000, 0.0001818400000000 ] - [ -0.0013008100000000, -0.0001524000000000, -0.0000354400000000 ] - [ -0.0000197800000000, -0.0001013600000000, -0.0003650000000000 ] - [ 0.0002755100000000, 0.0009052600000000, -0.0004867300000000 ] - [ -0.0004430900000000, 0.0001552500000000, 0.0002847300000000 ] - [ 0.0007539400000000, -0.0001319100000000, 0.0003087700000000 ] - [ -0.0011520700000000, 0.0007863400000000, -0.0004597700000000 ] - [ 0.0005811300000000, 0.0001569100000000, 0.0000640000000000 ] - [ -0.1659470200000000, -0.0708747600000000, -0.0953378900000000 ] - [ 0.0048493800000000, -0.0002149800000000, -0.0006094500000000 ] - [ -0.0005321800000000, 0.0003987400000000, 0.0002462900000000 ] - [ 0.0014029500000000, 0.0001505800000000, 0.0001258900000000 ] - [ 0.0102960800000000, 0.0098814300000000, 0.0099527100000000 ] - [ 0.0011693900000000, -0.0006065400000000, 0.0018510700000000 ] - [ -0.0023319600000000, 0.0029980000000000, 0.0034011100000000 ] - [ 0.0046596900000000, -0.0008357000000000, 0.0003930500000000 ] - [ -0.0030313500000000, -0.0027390500000000, 0.0018144300000000 ] - [ 0.0032036600000000, 0.0002819000000000, -0.0000615300000000 ] - [ -0.0007298700000000, 0.0000615000000000, 0.0001710500000000 ] - [ 0.0008445300000000, 0.0000659300000000, 0.0000263500000000 ] - [ -0.0016917100000000, 0.0000643800000000, 0.0016326700000000 ] - [ 0.0012995700000000, -0.0001756200000000, 0.0005131100000000 ] - [ -0.0001282700000000, -0.0013021800000000, 0.0008149900000000 ] - [ 0.0005019000000000, 0.0013559600000000, 0.0004226300000000 ] - [ 0.0002225500000000, -0.0002814900000000, 0.0001097100000000 ] - [ -0.0000027400000000, 0.0007444900000000, -0.0003754900000000 ] - [ 0.0000760200000000, 0.0001087500000000, 0.0003744400000000 ] - [ -0.0000356700000000, -0.0001399400000000, 0.0003262500000000 ] - [ 0.0010094500000000, 0.0011946800000000, -0.0004122100000000 ] - [ -0.0001797400000000, -0.0002521900000000, 0.0000354000000000 ] - [ -0.0015388300000000, -0.0003309800000000, -0.0000596400000000 ] - [ 0.0009490700000000, 0.0001874700000000, -0.0001894400000000 ] - [ -0.0014673800000000, 0.0028338500000000, 0.0013031900000000 ] - [ 0.0002926100000000, 0.0000995200000000, -0.0002783500000000 ] - [ -0.0738310800000000, 0.0856983700000000, 0.0471138000000000 ] - [ -0.0000001100000000, 0.0002356500000000, -0.0000354500000000 ] - [ -0.0002392300000000, -0.0000835500000000, 0.0000551800000000 ] - [ 0.0004517000000000, -0.0000997600000000, 0.0001979600000000 ] - [ -0.0000238500000000, 0.0001076000000000, 0.0000455100000000 ] - [ -0.0002486600000000, -0.0009278900000000, -0.0001732900000000 ] - [ 0.0016207100000000, 0.0000172400000000, 0.0012027600000000 ] - [ 0.0000298200000000, -0.0003853300000000, -0.0000043700000000 ] - [ -0.0000905000000000, 0.0011965400000000, -0.0008623300000000 ] - [ 0.0029318300000000, -0.0028268100000000, -0.0043092900000000 ] - [ 0.0001556900000000, 0.0001605400000000, 0.0002210500000000 ] - [ -0.0002586000000000, -0.0003997900000000, 0.0000001600000000 ] - [ -0.0017113200000000, 0.0002104100000000, -0.0004884800000000 ] - [ 0.0028155500000000, 0.0001285900000000, -0.0002676700000000 ] - [ -0.0009357300000000, -0.0000628400000000, -0.0002506200000000 ] - [ 0.0015643200000000, 0.0000945800000000, -0.0003767300000000 ] - [ -0.0000754000000000, 0.0005577100000000, 0.0005382600000000 ] - [ 0.0001143600000000, -0.0003612600000000, 0.0004034400000000 ] - [ -0.0004031100000000, -0.0001369100000000, 0.0002194500000000 ] - [ 0.0002178700000000, 0.0000202600000000, 0.0002665200000000 ] - [ 0.0010127400000000, 0.0003352300000000, 0.0000030700000000 ] - [ -0.0004341800000000, -0.0000351700000000, 0.0000216800000000 ] - [ 0.0002612100000000, -0.0008038600000000, 0.0002726500000000 ] - [ -0.0004404300000000, -0.0002057900000000, 0.0001724800000000 ] - [ -0.0470001600000000, -0.0211961000000000, -0.0285091300000000 ] - [ -0.0058930400000000, -0.0030380600000000, 0.0005544200000000 ] - [ 0.0004619700000000, -0.0001003300000000, 0.0000261200000000 ] - [ -0.0011238100000000, -0.0007597500000000, 0.0003525400000000 ] - [ 0.0006479400000000, -0.0003216000000000, -0.0002210400000000 ] - [ -0.0007018700000000, 0.0002429800000000, -0.0002689000000000 ] - [ 0.0001541600000000, -0.0005788500000000, -0.0002600600000000 ] - [ -0.0001949000000000, 0.0000686700000000, -0.0000594600000000 ] - [ 0.0066454500000000, 0.0006480100000000, 0.0006312600000000 ] - [ -0.0005476400000000, -0.0002871200000000, 0.0000447600000000 ] - [ 0.0011560400000000, 0.0003513300000000, 0.0003833300000000 ] - [ -0.0005942800000000, -0.0004812000000000, 0.0001535000000000 ] - [ 0.2659420000000000, -0.0004784300000000, 0.0704697400000000 ] - [ -0.0016709400000000, -0.0002424600000000, 0.0012018300000000 ] - [ 0.0007941200000000, -0.0002802400000000, 0.0002323300000000 ] - [ -0.0010770700000000, 0.0003705900000000, 0.0001389800000000 ] - [ 0.0002483500000000, 0.0014324100000000, -0.0010537600000000 ] - [ -0.0001823400000000, -0.0013982300000000, -0.0007840300000000 ] - [ -0.0004827500000000, -0.0012068200000000, -0.0015477400000000 ] - [ -0.0005294500000000, -0.0003077300000000, -0.0003884300000000 ] - [ 0.0013444500000000, -0.0035128500000000, -0.0031132500000000 ] - [ -0.0059050800000000, 0.0009746500000000, -0.0035022400000000 ] - [ 0.0000870400000000, 0.0016856600000000, -0.0018167800000000 ] - [ -0.0024114100000000, 0.0002624100000000, -0.0010512000000000 ] - [ 0.0002808300000000, 0.0000864200000000, -0.0000517800000000 ] - [ -0.0002718300000000, 0.0000310400000000, -0.0000891500000000 ] - [ 0.0009005800000000, 0.0003757000000000, -0.0007320400000000 ] - [ -0.0013469900000000, 0.0002279400000000, -0.0006701200000000 ] - [ 0.0128906000000000, -0.0015218400000000, -0.0000564000000000 ] - [ -0.0026885800000000, 0.0003858400000000, 0.0000296200000000 ] - [ 0.0009939100000000, -0.0001153600000000, -0.0010451100000000 ] - [ -0.0008808300000000, 0.0005394700000000, -0.0005189200000000 ] - [ 0.0017693000000000, -0.0008709700000000, -0.0010844200000000 ] - [ -0.0024523100000000, 0.0007691000000000, -0.0006476700000000 ] - [ 0.0018547200000000, 0.0010796100000000, 0.0006237500000000 ] - [ -0.0024092500000000, -0.0006277000000000, 0.0005007200000000 ] - [ -0.0000664600000000, -0.0003873900000000, 0.0001329000000000 ] - [ -0.0000380300000000, 0.0001498500000000, 0.0002354900000000 ] - [ 0.0013705600000000, -0.0002100500000000, -0.0005334700000000 ] - [ -0.0010894700000000, 0.0001892500000000, -0.0001991500000000 ] - [ 0.0004051500000000, -0.0001407700000000, 0.0001742500000000 ] - [ -0.0020795100000000, 0.0011428000000000, 0.0021264600000000 ] - [ 0.0007709300000000, 0.0009094200000000, -0.0002605400000000 ] - [ -0.0013700600000000, -0.0007946300000000, 0.0005171100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006997400000000, -0.0007290200000000, 0.0006386800000000 ] - [ -0.0006667900000000, -0.0007409600000000, -0.0004805100000000 ] - [ -0.0003896200000000, 0.0004360900000000, -0.0003309600000000 ] - [ -0.0000035800000000, 0.0028922600000000, 0.0013361800000000 ] - [ 0.0026677600000000, -0.0025585100000000, -0.0020968500000000 ] - [ -0.0008669000000000, -0.0016091300000000, 0.0001774500000000 ] - [ 0.0130501900000000, -0.0083961800000000, -0.0095212500000000 ] - [ 0.0008656500000000, -0.0009159700000000, 0.0008132500000000 ] - [ -0.0001203000000000, -0.0009561200000000, 0.0020630400000000 ] - [ -0.0005804300000000, -0.0010365200000000, 0.0008746400000000 ] - [ 0.0833689200000000, 0.1222264400000000, 0.0896299900000000 ] - [ -0.0012995500000000, 0.0000578300000000, 0.0003477500000000 ] - [ -0.0000267000000000, -0.0030859300000000, -0.0001909100000000 ] - [ -0.0015115900000000, -0.0002735500000000, 0.0003281500000000 ] - [ -0.0062712900000000, -0.0027771200000000, -0.0008420800000000 ] - [ 0.0014697200000000, 0.0023194700000000, -0.0000299300000000 ] - [ -0.0083858400000000, -0.0077820600000000, -0.0074134300000000 ] - [ -0.0018928600000000, 0.0009347300000000, -0.0002488000000000 ] - [ 0.0015505400000000, -0.0006648100000000, 0.0043283300000000 ] - [ -0.0007776500000000, 0.0006822600000000, -0.0000810900000000 ] - [ 0.0011148200000000, -0.0042508600000000, -0.0034222000000000 ] - [ 0.0008318500000000, 0.0000461300000000, -0.0001075400000000 ] - [ 0.0013723300000000, 0.0024569600000000, 0.0002395900000000 ] - [ 0.0001362700000000, 0.0004478200000000, -0.0003947600000000 ] - [ 0.0000752200000000, 0.0009578200000000, -0.0002361900000000 ] - [ -0.0005090300000000, -0.0014420400000000, -0.0003484200000000 ] - [ 0.0003595400000000, -0.0012324400000000, 0.0003578600000000 ] - [ -0.0006284200000000, 0.0008052400000000, 0.0006989200000000 ] - [ -0.0001603600000000, 0.0003673800000000, -0.0002299600000000 ] - [ 0.0005122700000000, -0.0008930800000000, -0.0007827000000000 ] - [ -0.0009791500000000, -0.0008390100000000, 0.0011142000000000 ] - [ -0.0003644700000000, -0.0009061700000000, -0.0002276100000000 ] - [ 0.0007722100000000, 0.0000782800000000, -0.0001291300000000 ] - [ -0.0001070900000000, -0.0000539600000000, -0.0003049900000000 ] - [ -0.0067862200000000, -0.0008408500000000, -0.0015628600000000 ] - [ -0.0002530700000000, -0.0000651200000000, -0.0002545800000000 ] - [ -0.1060629600000000, 0.2183889300000000, 0.1193040200000000 ] - [ -0.0001147000000000, -0.0008126000000000, 0.0006242900000000 ] - [ -0.0003075500000000, -0.0024558700000000, -0.0007588500000000 ] - [ -0.0001047300000000, 0.0004285200000000, 0.0001286500000000 ] - [ -0.0003786000000000, -0.0012754500000000, 0.0003587500000000 ] - [ 0.0015452300000000, 0.0016913400000000, 0.0002127700000000 ] - [ -0.0011145800000000, 0.0014815300000000, -0.0009837500000000 ] - [ 0.0002276900000000, -0.0006439100000000, -0.0000088600000000 ] - [ -0.0002871600000000, -0.0000789000000000, 0.0005004900000000 ] - [ -0.0007972500000000, 0.0021050500000000, 0.0027741000000000 ] - [ 0.0003052100000000, 0.0004900400000000, -0.0002901200000000 ] - [ 0.0001840100000000, 0.0002166200000000, 0.0002113200000000 ] - [ -0.0017435900000000, -0.0006889500000000, 0.0001421200000000 ] - [ 0.0003954900000000, 0.0002272900000000, -0.0001774400000000 ] - [ 0.0026191100000000, -0.0008768600000000, -0.0007183900000000 ] - [ -0.0010047700000000, 0.0002516100000000, -0.0002572600000000 ] - [ 0.0004885100000000, -0.0030897000000000, -0.0013562900000000 ] - [ -0.0001628400000000, 0.0007026800000000, -0.0001672800000000 ] - [ 0.0001512200000000, 0.0017890100000000, 0.0006884700000000 ] - [ 0.0000733700000000, -0.0004808500000000, 0.0003078900000000 ] - [ -0.0058599600000000, 0.0020745700000000, 0.0020353000000000 ] - [ -0.0011585900000000, 0.0015512900000000, -0.0003101800000000 ] - [ 0.0005743700000000, 0.0004120800000000, -0.0004122700000000 ] - [ 0.0006182000000000, 0.0012956000000000, -0.0004845700000000 ] - [ 0.0132938900000000, -0.0087674200000000, 0.0047296100000000 ] - [ 0.0018638500000000, 0.0002296900000000, -0.0006432600000000 ] - [ 0.0004997500000000, 0.0012908800000000, 0.0000090900000000 ] - [ 0.0009730700000000, 0.0006351800000000, -0.0007437000000000 ] - [ -0.0006050900000000, 0.0067046600000000, 0.0069810300000000 ] - [ -0.0003858300000000, 0.0006426000000000, -0.0004004300000000 ] - [ -0.0000667900000000, 0.0012925200000000, -0.0007330100000000 ] - [ 0.0006300700000000, 0.0008971500000000, -0.0007738800000000 ] - [ -0.0105710700000000, 0.0409880100000000, 0.0267754200000000 ] - [ -0.0003905500000000, 0.0006330500000000, -0.0003804100000000 ] - [ -0.0007320000000000, -0.0003254400000000, -0.0008732500000000 ] - [ 0.0004998100000000, 0.0004894200000000, -0.0002062600000000 ] - [ 0.0073962400000000, -0.4000039300000000, -0.2792995600000000 ] - [ 0.0006778400000000, 0.0007333300000000, -0.0003628500000000 ] - [ 0.0001653700000000, 0.0027705200000000, 0.0007827000000000 ] - [ -0.0000732800000000, -0.0001982400000000, 0.0002709000000000 ] - [ -0.0007974900000000, -0.0001321900000000, -0.0002379100000000 ] - [ 0.0004756000000000, 0.0008514800000000, 0.0001995600000000 ] - [ 0.0050390100000000, 0.0010040200000000, 0.0006528300000000 ] - [ -0.0002031000000000, 0.0004312300000000, -0.0002746400000000 ] - [ 0.0053043100000000, 0.0014383500000000, 0.0013776700000000 ] - [ 0.0031310700000000, -0.0012053000000000, 0.0017960100000000 ] - [ -0.0019220500000000, 0.0000423500000000, -0.0016935800000000 ] - [ 0.0002522500000000, -0.0017229500000000, 0.0005047200000000 ] - [ -0.0013492100000000, 0.0017422800000000, 0.0013072900000000 ] - [ -0.0010267500000000, -0.0000939100000000, 0.0007319300000000 ] - [ -0.0006881800000000, -0.0010842700000000, 0.0000673300000000 ] - [ -0.0006414100000000, -0.0006206400000000, 0.0002280400000000 ] - [ 0.0148999500000000, 0.0311662600000000, 0.0428982100000000 ] - [ 0.0000191600000000, -0.0001202400000000, -0.0000387600000000 ] - [ -0.0006981600000000, -0.0013747500000000, -0.0021283200000000 ] - [ 0.0005645200000000, -0.0002993800000000, 0.0002887800000000 ] - [ -0.0014031900000000, 0.0059356600000000, 0.0046870700000000 ] - [ 0.0011228400000000, -0.0013206300000000, 0.0006830000000000 ] - [ 0.0002625700000000, 0.0033252800000000, -0.0017815900000000 ] - [ 0.0001221300000000, -0.0008545300000000, 0.0000906700000000 ] - [ -0.0000617700000000, 0.0034237600000000, 0.0027021000000000 ] - [ 0.0002958500000000, -0.0003882100000000, 0.0006947700000000 ] - [ 0.0002259600000000, -0.0022289900000000, 0.0006800800000000 ] - [ -0.0002451100000000, 0.0003054700000000, 0.0004783800000000 ] - [ 0.0006173500000000, 0.0015285800000000, -0.0009555200000000 ] - [ 0.0000578900000000, -0.0028081700000000, -0.0021029900000000 ] - [ -0.0010764800000000, 0.0013765800000000, -0.0001702800000000 ] - [ 0.0001958800000000, -0.0016915000000000, -0.0008912200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006965600000000, 0.0007270800000000, -0.0004956100000000 ] - [ 0.0006664700000000, 0.0007387700000000, 0.0006228100000000 ] - [ 0.0003913900000000, -0.0004372700000000, 0.0004724400000000 ] - [ 0.0000612900000000, -0.0029072200000000, -0.0012068200000000 ] - [ -0.0026701700000000, 0.0025604600000000, 0.0014645800000000 ] - [ 0.0008599200000000, 0.0016007700000000, -0.0008090300000000 ] - [ -0.0135069900000000, 0.0087331800000000, 0.0101971200000000 ] - [ -0.0004682400000000, 0.0005968200000000, -0.0001799200000000 ] - [ 0.0005178000000000, 0.0012611300000000, -0.0014093800000000 ] - [ 0.0001780700000000, 0.0007152000000000, -0.0002392900000000 ] - [ -0.0868688300000000, -0.1230930100000000, -0.0925714900000000 ] - [ 0.0016078100000000, 0.0001469200000000, -0.0002758700000000 ] - [ 0.0003524200000000, 0.0028732600000000, 0.0002538100000000 ] - [ 0.0011754800000000, 0.0004751600000000, -0.0002597200000000 ] - [ 0.0062111300000000, 0.0027278900000000, 0.0001406600000000 ] - [ -0.0014776700000000, -0.0023219600000000, -0.0006080500000000 ] - [ 0.0079828500000000, 0.0080718700000000, 0.0079635200000000 ] - [ 0.0022760300000000, -0.0012493800000000, 0.0008797400000000 ] - [ -0.0011578700000000, 0.0009914200000000, -0.0037237800000000 ] - [ 0.0003697200000000, -0.0010023800000000, 0.0007169600000000 ] - [ -0.0014435100000000, 0.0040560200000000, 0.0034952000000000 ] - [ -0.0005065800000000, 0.0001560500000000, 0.0001755900000000 ] - [ -0.0010428800000000, -0.0026619500000000, -0.0001815100000000 ] - [ -0.0004690800000000, -0.0002456200000000, 0.0004615000000000 ] - [ -0.0003991500000000, -0.0014598900000000, 0.0004659200000000 ] - [ 0.0008327000000000, 0.0019439900000000, 0.0005793700000000 ] - [ -0.0000343900000000, 0.0007225200000000, -0.0001249600000000 ] - [ 0.0003010500000000, -0.0002929000000000, -0.0004640600000000 ] - [ -0.0000752100000000, 0.0001766000000000, 0.0003976900000000 ] - [ -0.0002762700000000, 0.0003470500000000, 0.0009494500000000 ] - [ 0.0012055100000000, 0.0013777200000000, -0.0009455200000000 ] - [ 0.0001282800000000, 0.0003597100000000, 0.0003945100000000 ] - [ -0.0014384200000000, -0.0002816500000000, -0.0003788700000000 ] - [ 0.0007786100000000, 0.0002560900000000, -0.0002052100000000 ] - [ 0.0074881200000000, 0.0006077500000000, 0.0010334800000000 ] - [ -0.0004241800000000, 0.0002673200000000, -0.0002550600000000 ] - [ 0.0987945100000000, -0.2069212100000000, -0.1084876600000000 ] - [ -0.0000626800000000, 0.0007490200000000, -0.0002019300000000 ] - [ 0.0001314600000000, 0.0025211700000000, 0.0011834700000000 ] - [ 0.0002802400000000, -0.0004873200000000, 0.0002908100000000 ] - [ 0.0000530900000000, 0.0007670100000000, -0.0001267300000000 ] - [ -0.0012177800000000, -0.0011808400000000, 0.0000185200000000 ] - [ 0.0014250600000000, -0.0019876800000000, 0.0012086700000000 ] - [ -0.0005548900000000, 0.0011534900000000, 0.0002420900000000 ] - [ 0.0000536100000000, 0.0006181300000000, -0.0003261100000000 ] - [ 0.0010244700000000, -0.0026346500000000, -0.0025837400000000 ] - [ -0.0000697800000000, 0.0000554400000000, 0.0004556000000000 ] - [ -0.0004203600000000, -0.0007635400000000, -0.0000482500000000 ] - [ 0.0010823800000000, 0.0004866900000000, -0.0006529500000000 ] - [ 0.0002710800000000, -0.0000246800000000, -0.0003320000000000 ] - [ -0.0019428800000000, 0.0006737200000000, 0.0002066500000000 ] - [ 0.0003280000000000, -0.0000492100000000, -0.0002525700000000 ] - [ -0.0003122500000000, 0.0031498600000000, 0.0017773300000000 ] - [ -0.0000149700000000, -0.0007602800000000, 0.0005855100000000 ] - [ -0.0003280900000000, -0.0017260600000000, -0.0002693200000000 ] - [ 0.0001031300000000, 0.0004205400000000, 0.0001111900000000 ] - [ 0.0060994400000000, -0.0022971900000000, -0.0020735400000000 ] - [ 0.0009221400000000, -0.0013332400000000, 0.0002730300000000 ] - [ -0.0008078300000000, -0.0006278900000000, 0.0003702900000000 ] - [ -0.0003765100000000, -0.0010731500000000, 0.0004450800000000 ] - [ -0.0133084300000000, 0.0092645900000000, -0.0046097900000000 ] - [ -0.0016266500000000, -0.0005136100000000, 0.0006858100000000 ] - [ -0.0002923800000000, -0.0009871300000000, 0.0000353000000000 ] - [ -0.0011703700000000, -0.0009346000000000, 0.0007858400000000 ] - [ 0.0012866500000000, -0.0072594700000000, -0.0074724200000000 ] - [ -0.0002892200000000, -0.0000991300000000, -0.0000769900000000 ] - [ -0.0006085400000000, -0.0018279200000000, 0.0002532000000000 ] - [ 0.0000481600000000, -0.0003525500000000, 0.0002942800000000 ] - [ 0.0106213700000000, -0.0403057100000000, -0.0265176000000000 ] - [ 0.0003288100000000, -0.0010537900000000, 0.0004436700000000 ] - [ 0.0006633300000000, 0.0007465400000000, 0.0009284900000000 ] - [ -0.0004339700000000, -0.0009104200000000, 0.0002700900000000 ] - [ 0.0025048700000000, 0.3889723800000000, 0.2730216500000000 ] - [ 0.0000547800000000, -0.0005766700000000, 0.0009380600000000 ] - [ 0.0005589000000000, -0.0029268100000000, -0.0002008700000000 ] - [ -0.0006511900000000, 0.0003498800000000, 0.0003116000000000 ] - [ 0.0004367600000000, 0.0013909600000000, -0.0007030500000000 ] - [ -0.0001176700000000, -0.0021107700000000, -0.0011401900000000 ] - [ -0.0046798100000000, 0.0002759200000000, -0.0015800700000000 ] - [ -0.0001506200000000, -0.0016951200000000, -0.0006670800000000 ] - [ -0.0050728100000000, -0.0016382400000000, -0.0013912200000000 ] - [ -0.0033484800000000, 0.0014182200000000, -0.0018198600000000 ] - [ 0.0016968000000000, -0.0002667100000000, 0.0016684600000000 ] - [ -0.0000074100000000, 0.0019405700000000, -0.0005435200000000 ] - [ 0.0011449200000000, -0.0014429600000000, -0.0012636400000000 ] - [ 0.0012327800000000, -0.0002083600000000, -0.0006884400000000 ] - [ 0.0008948700000000, 0.0013856100000000, -0.0000174900000000 ] - [ 0.0004420600000000, 0.0003169800000000, -0.0001800800000000 ] - [ -0.0143761900000000, -0.0318809200000000, -0.0440824900000000 ] - [ -0.0006889500000000, 0.0006624100000000, -0.0004386100000000 ] - [ 0.0000197000000000, 0.0008328100000000, 0.0016624600000000 ] - [ 0.0001153900000000, 0.0008430400000000, -0.0007663200000000 ] - [ 0.0014609100000000, -0.0055277600000000, -0.0046175400000000 ] - [ -0.0011799300000000, 0.0008948900000000, -0.0006156800000000 ] - [ -0.0003349100000000, -0.0029414700000000, 0.0018566900000000 ] - [ -0.0000516800000000, 0.0004335500000000, -0.0000292500000000 ] - [ -0.0006653900000000, -0.0035822500000000, -0.0021238900000000 ] - [ 0.0004330300000000, 0.0005403000000000, -0.0001123800000000 ] - [ 0.0004975600000000, 0.0020757500000000, -0.0000936700000000 ] - [ -0.0004790400000000, -0.0001526900000000, 0.0001061000000000 ] - [ -0.0009801000000000, -0.0002642500000000, 0.0000108100000000 ] - [ 0.0003041300000000, 0.0015375300000000, 0.0011510100000000 ] - [ 0.0014315300000000, -0.0001137600000000, -0.0007692600000000 ] - [ -0.0005527900000000, 0.0004255100000000, -0.0000457400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002399700000000, -0.0001777700000000, 0.0007101000000000 ] - [ -0.0003963700000000, -0.0003728300000000, -0.0006174700000000 ] - [ 0.0004549500000000, 0.0003458200000000, -0.0010779800000000 ] - [ 0.0000283400000000, 0.0013420200000000, 0.0027823200000000 ] - [ 0.0018027500000000, -0.0016153300000000, -0.0018371800000000 ] - [ 0.0001230900000000, -0.0001644200000000, 0.0006416400000000 ] - [ 0.0081303400000000, -0.0057413400000000, -0.0072832700000000 ] - [ 0.0006720000000000, -0.0004417400000000, 0.0005377200000000 ] - [ 0.0004875200000000, 0.0017420700000000, 0.0009043100000000 ] - [ -0.0002672100000000, -0.0006617000000000, 0.0005954900000000 ] - [ 0.1020895600000000, 0.0822679200000000, 0.1426974200000000 ] - [ -0.0023892700000000, 0.0002661300000000, 0.0007483200000000 ] - [ 0.0000353200000000, -0.0006909500000000, 0.0014205700000000 ] - [ -0.0007515900000000, -0.0001789700000000, 0.0004312900000000 ] - [ -0.0077627700000000, -0.0012116000000000, -0.0057280000000000 ] - [ -0.0021659200000000, 0.0006547200000000, -0.0025425500000000 ] - [ -0.0085244400000000, -0.0073860300000000, -0.0110707300000000 ] - [ -0.0018977700000000, 0.0005051100000000, -0.0002850400000000 ] - [ -0.0001155700000000, 0.0065189900000000, -0.0004336300000000 ] - [ -0.0022746000000000, 0.0000989900000000, 0.0003884600000000 ] - [ 0.0005833400000000, -0.0027540500000000, -0.0027393500000000 ] - [ 0.0005139000000000, 0.0002054800000000, -0.0003024500000000 ] - [ 0.0003357200000000, -0.0018994200000000, -0.0057056700000000 ] - [ -0.0009590200000000, 0.0005568100000000, -0.0007132200000000 ] - [ -0.0002268000000000, 0.0005527200000000, -0.0003730800000000 ] - [ -0.0004934700000000, -0.0013920300000000, -0.0003710900000000 ] - [ 0.0002593500000000, -0.0008107100000000, 0.0002850900000000 ] - [ 0.0000315200000000, 0.0007697300000000, 0.0000044700000000 ] - [ -0.0002768900000000, 0.0005183200000000, -0.0005165700000000 ] - [ 0.0004266300000000, -0.0007106400000000, -0.0007140200000000 ] - [ -0.0005109000000000, -0.0004413500000000, 0.0013535700000000 ] - [ -0.0001141200000000, -0.0004152800000000, 0.0003820100000000 ] - [ -0.0003223500000000, 0.0002093300000000, -0.0005892000000000 ] - [ -0.0001867100000000, -0.0000016900000000, -0.0003332700000000 ] - [ -0.0041896400000000, -0.0014310100000000, -0.0005234500000000 ] - [ -0.0007673000000000, 0.0000395500000000, -0.0001986400000000 ] - [ -0.0612544100000000, 0.1224854600000000, 0.0908162300000000 ] - [ -0.0001331700000000, -0.0006976600000000, 0.0007086500000000 ] - [ 0.0000041400000000, 0.0001794000000000, 0.0008132600000000 ] - [ -0.0000773500000000, -0.0000586200000000, 0.0004102500000000 ] - [ -0.0002547200000000, -0.0006099400000000, 0.0001462100000000 ] - [ 0.0012747200000000, 0.0007705200000000, 0.0002468300000000 ] - [ -0.0011606700000000, 0.0000082500000000, -0.0004988900000000 ] - [ -0.0004672500000000, 0.0008677500000000, 0.0004221200000000 ] - [ 0.0000685500000000, -0.0004080900000000, 0.0012423800000000 ] - [ -0.0001088800000000, 0.0015498700000000, 0.0043871500000000 ] - [ 0.0003455500000000, 0.0006806400000000, -0.0007400900000000 ] - [ -0.0003417400000000, -0.0005969900000000, -0.0011903800000000 ] - [ 0.0009332900000000, 0.0001012800000000, 0.0000439800000000 ] - [ 0.0005946000000000, 0.0002448500000000, -0.0001386600000000 ] - [ 0.0028033600000000, -0.0007274700000000, -0.0008953100000000 ] - [ -0.0003296100000000, 0.0001310600000000, -0.0002993300000000 ] - [ 0.0004523700000000, -0.0025287000000000, -0.0013078600000000 ] - [ -0.0001638100000000, 0.0005646100000000, -0.0001844400000000 ] - [ -0.0001570800000000, 0.0000235300000000, -0.0009651600000000 ] - [ 0.0000569500000000, -0.0000617500000000, 0.0000427500000000 ] - [ -0.0039472000000000, 0.0015093000000000, 0.0014022500000000 ] - [ -0.0008283200000000, 0.0007984500000000, -0.0001004900000000 ] - [ -0.0003484800000000, -0.0006244400000000, -0.0002770000000000 ] - [ 0.0001683700000000, 0.0006287300000000, -0.0003040100000000 ] - [ 0.0215521000000000, 0.0056433500000000, -0.0034611400000000 ] - [ 0.0043927500000000, 0.0016841300000000, -0.0008410200000000 ] - [ 0.0001949700000000, 0.0003691400000000, -0.0006161500000000 ] - [ 0.0002645900000000, 0.0002879200000000, -0.0008910600000000 ] - [ -0.0001805500000000, 0.0039672100000000, 0.0048040700000000 ] - [ -0.0003369800000000, 0.0003500000000000, -0.0001683100000000 ] - [ -0.0003134400000000, -0.0006341500000000, -0.0012088100000000 ] - [ 0.0004883900000000, 0.0006631800000000, -0.0006133500000000 ] - [ -0.0061409300000000, 0.0290368900000000, 0.0107177100000000 ] - [ 0.0000052500000000, 0.0002866000000000, -0.0003114200000000 ] - [ -0.0002513500000000, -0.0008608700000000, 0.0008124200000000 ] - [ 0.0003944600000000, 0.0000885900000000, 0.0000449700000000 ] - [ -0.0643257900000000, -0.2759642700000000, -0.2680555400000000 ] - [ 0.0012671200000000, 0.0007273700000000, -0.0008422900000000 ] - [ 0.0003043200000000, 0.0004124300000000, -0.0007472300000000 ] - [ -0.0002129500000000, 0.0000976500000000, -0.0000202400000000 ] - [ -0.0000948300000000, -0.0000835500000000, 0.0001491600000000 ] - [ 0.0005757800000000, 0.0006420000000000, 0.0002004600000000 ] - [ 0.0033552300000000, 0.0015361300000000, -0.0004102100000000 ] - [ 0.0002195800000000, -0.0008194000000000, -0.0008008400000000 ] - [ 0.0052480000000000, 0.0014283600000000, 0.0025931000000000 ] - [ 0.0023490700000000, -0.0009983100000000, 0.0012659200000000 ] - [ 0.0012080100000000, -0.0019199900000000, 0.0009939200000000 ] - [ 0.0020805100000000, -0.0004306100000000, 0.0003981700000000 ] - [ -0.0008976900000000, 0.0011575700000000, 0.0011476700000000 ] - [ -0.0005905000000000, -0.0002524900000000, 0.0008299200000000 ] - [ 0.0006293000000000, 0.0002074200000000, 0.0019219800000000 ] - [ 0.0008965200000000, -0.0007242400000000, 0.0012047400000000 ] - [ 0.0130887100000000, 0.0403852900000000, 0.0344725200000000 ] - [ 0.0003551800000000, -0.0000019100000000, -0.0001547400000000 ] - [ 0.0000410500000000, -0.0023653800000000, 0.0044245000000000 ] - [ 0.0010315400000000, -0.0002404600000000, 0.0002879800000000 ] - [ -0.0018397700000000, 0.0053912100000000, 0.0057321600000000 ] - [ 0.0006767500000000, -0.0009830200000000, 0.0007133200000000 ] - [ -0.0011737300000000, -0.0015698900000000, -0.0012777400000000 ] - [ 0.0004194300000000, -0.0002563100000000, -0.0003705800000000 ] - [ -0.0002117100000000, 0.0023283400000000, 0.0024645200000000 ] - [ 0.0003104900000000, -0.0003262900000000, 0.0007827400000000 ] - [ -0.0004599700000000, 0.0003169500000000, 0.0034883600000000 ] - [ 0.0001276200000000, -0.0001102000000000, 0.0009567800000000 ] - [ -0.0008406800000000, 0.0010597700000000, -0.0011622800000000 ] - [ -0.0006551800000000, -0.0019372000000000, -0.0028054100000000 ] - [ -0.0011442800000000, 0.0010047500000000, 0.0000621600000000 ] - [ -0.0005571600000000, -0.0009186100000000, 0.0005817700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002419100000000, 0.0001795500000000, -0.0005681900000000 ] - [ 0.0003978300000000, 0.0003730700000000, 0.0007621400000000 ] - [ -0.0004458300000000, -0.0003443900000000, 0.0012174600000000 ] - [ -0.0000097400000000, -0.0013561100000000, -0.0026423900000000 ] - [ -0.0018109800000000, 0.0016220600000000, 0.0012096600000000 ] - [ -0.0001215100000000, 0.0001660300000000, -0.0012770000000000 ] - [ -0.0086093800000000, 0.0060910000000000, 0.0079661900000000 ] - [ -0.0002758700000000, 0.0001249400000000, 0.0000953500000000 ] - [ -0.0000912300000000, -0.0014285600000000, -0.0002795100000000 ] - [ -0.0001314400000000, 0.0003453500000000, 0.0000367300000000 ] - [ -0.1075770400000000, -0.0868952500000000, -0.1455483200000000 ] - [ 0.0027109300000000, -0.0000639000000000, -0.0006767300000000 ] - [ 0.0002935400000000, 0.0004940300000000, -0.0013543000000000 ] - [ 0.0004254400000000, 0.0003817100000000, -0.0003626500000000 ] - [ 0.0077221100000000, 0.0011417100000000, 0.0050526600000000 ] - [ 0.0021458500000000, -0.0006405300000000, 0.0019143200000000 ] - [ 0.0081589500000000, 0.0076788200000000, 0.0116911900000000 ] - [ 0.0022844800000000, -0.0008213300000000, 0.0009190800000000 ] - [ 0.0004920900000000, -0.0061423500000000, 0.0011218900000000 ] - [ 0.0018692700000000, -0.0004207900000000, 0.0002488200000000 ] - [ -0.0009153400000000, 0.0025672600000000, 0.0028219700000000 ] - [ -0.0001890500000000, -0.0000036600000000, 0.0003716200000000 ] - [ -0.0000214100000000, 0.0016813900000000, 0.0057330800000000 ] - [ 0.0006262900000000, -0.0003537900000000, 0.0007799100000000 ] - [ -0.0000975200000000, -0.0010579500000000, 0.0006029600000000 ] - [ 0.0008198800000000, 0.0019020900000000, 0.0006042100000000 ] - [ 0.0000645600000000, 0.0003064600000000, -0.0000535900000000 ] - [ -0.0003566500000000, -0.0002655000000000, 0.0002266000000000 ] - [ 0.0000414100000000, 0.0000262000000000, 0.0006848800000000 ] - [ -0.0001923900000000, 0.0001674200000000, 0.0008841000000000 ] - [ 0.0007461700000000, 0.0009876700000000, -0.0011843400000000 ] - [ -0.0001203500000000, -0.0001288500000000, -0.0002129900000000 ] - [ -0.0003486800000000, -0.0004138500000000, 0.0000789300000000 ] - [ 0.0008604900000000, 0.0002051100000000, -0.0001765700000000 ] - [ 0.0049000000000000, 0.0012031900000000, 0.0000100400000000 ] - [ 0.0000928300000000, 0.0001637800000000, -0.0003108000000000 ] - [ 0.0596996100000000, -0.1174844000000000, -0.0909800700000000 ] - [ -0.0000443000000000, 0.0006385800000000, -0.0002881900000000 ] - [ -0.0001813400000000, -0.0001170900000000, -0.0003937100000000 ] - [ 0.0002541400000000, -0.0000032700000000, 0.0000111500000000 ] - [ -0.0000704500000000, 0.0001050000000000, 0.0000854700000000 ] - [ -0.0009499400000000, -0.0002724800000000, -0.0000153700000000 ] - [ 0.0014751500000000, -0.0005243300000000, 0.0007324400000000 ] - [ 0.0001407600000000, -0.0003557300000000, -0.0001874700000000 ] - [ -0.0003030000000000, 0.0009518600000000, -0.0010714900000000 ] - [ 0.0003477700000000, -0.0020891500000000, -0.0041949400000000 ] - [ -0.0001112400000000, -0.0001343600000000, 0.0009069300000000 ] - [ 0.0001014500000000, 0.0000468000000000, 0.0013518100000000 ] - [ -0.0016104600000000, -0.0003011700000000, -0.0005511300000000 ] - [ 0.0000822400000000, -0.0000414500000000, -0.0003702100000000 ] - [ -0.0021401700000000, 0.0005274000000000, 0.0003865000000000 ] - [ -0.0003489900000000, 0.0000715300000000, -0.0002108100000000 ] - [ -0.0002775800000000, 0.0026021000000000, 0.0017338700000000 ] - [ -0.0000140900000000, -0.0006242300000000, 0.0006038500000000 ] - [ -0.0000214400000000, 0.0000244100000000, 0.0013809900000000 ] - [ 0.0001196800000000, 0.0000049400000000, 0.0003755800000000 ] - [ 0.0042042500000000, -0.0017338900000000, -0.0014461600000000 ] - [ 0.0005942000000000, -0.0005826700000000, 0.0000630400000000 ] - [ 0.0001106900000000, 0.0004060400000000, 0.0002418700000000 ] - [ 0.0000682400000000, -0.0004116000000000, 0.0002673600000000 ] - [ -0.0216360100000000, -0.0053266700000000, 0.0037617800000000 ] - [ -0.0041823400000000, -0.0019808000000000, 0.0008835300000000 ] - [ 0.0000079700000000, -0.0000699400000000, 0.0006616800000000 ] - [ -0.0004709300000000, -0.0005896000000000, 0.0009357000000000 ] - [ 0.0008632800000000, -0.0045410900000000, -0.0053117300000000 ] - [ -0.0003389600000000, 0.0001932000000000, -0.0003091400000000 ] - [ -0.0003638700000000, 0.0000900300000000, 0.0007360200000000 ] - [ 0.0001873500000000, -0.0001210600000000, 0.0001366200000000 ] - [ 0.0062463900000000, -0.0286368400000000, -0.0107803700000000 ] - [ -0.0000693100000000, -0.0007095800000000, 0.0003759300000000 ] - [ 0.0001869500000000, 0.0012935000000000, -0.0007448200000000 ] - [ -0.0003308700000000, -0.0005128400000000, 0.0000210100000000 ] - [ 0.0706515000000000, 0.2761667900000000, 0.2723968800000000 ] - [ -0.0005391600000000, -0.0005734300000000, 0.0014228200000000 ] - [ 0.0004226100000000, -0.0005715700000000, 0.0013317200000000 ] - [ -0.0005149200000000, 0.0000577400000000, 0.0006019900000000 ] - [ -0.0002642100000000, 0.0013452900000000, -0.0010900000000000 ] - [ -0.0002191100000000, -0.0019069500000000, -0.0011445000000000 ] - [ -0.0030103500000000, -0.0002614800000000, -0.0005350200000000 ] - [ -0.0005768500000000, -0.0004465000000000, -0.0001437800000000 ] - [ -0.0050407600000000, -0.0016306100000000, -0.0026135200000000 ] - [ -0.0025625200000000, 0.0012200500000000, -0.0012832900000000 ] - [ -0.0014335200000000, 0.0016848800000000, -0.0010464300000000 ] - [ -0.0018337500000000, 0.0006527500000000, -0.0004410400000000 ] - [ 0.0006966400000000, -0.0008614400000000, -0.0011071600000000 ] - [ 0.0007988000000000, -0.0000480900000000, -0.0007872900000000 ] - [ -0.0004082600000000, 0.0000929800000000, -0.0018710100000000 ] - [ -0.0010961700000000, 0.0004195700000000, -0.0011594900000000 ] - [ -0.0126499700000000, -0.0416832100000000, -0.0353855900000000 ] - [ -0.0010300400000000, 0.0005467200000000, -0.0003238700000000 ] - [ -0.0007119300000000, 0.0017688100000000, -0.0048434200000000 ] - [ -0.0003530900000000, 0.0007850400000000, -0.0007658500000000 ] - [ 0.0019074900000000, -0.0049962800000000, -0.0056939400000000 ] - [ -0.0007353500000000, 0.0005605000000000, -0.0006468200000000 ] - [ 0.0011087300000000, 0.0019921300000000, 0.0013174500000000 ] - [ -0.0003554500000000, -0.0001614800000000, 0.0004314200000000 ] - [ -0.0005161900000000, -0.0024975300000000, -0.0018919300000000 ] - [ 0.0004181800000000, 0.0004811300000000, -0.0002000900000000 ] - [ 0.0011839000000000, -0.0004572200000000, -0.0028933400000000 ] - [ -0.0008533400000000, 0.0002617200000000, -0.0003705200000000 ] - [ 0.0004837200000000, 0.0001992400000000, 0.0002176400000000 ] - [ 0.0010006100000000, 0.0006810000000000, 0.0018549800000000 ] - [ 0.0015065500000000, 0.0002542800000000, -0.0010021600000000 ] - [ 0.0002055400000000, -0.0003380300000000, -0.0015187700000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023715900000000, 0.0007945200000000, 0.0008530900000000 ] - [ -0.0015165900000000, -0.0002903700000000, 0.0006075800000000 ] - [ 0.0011321800000000, 0.0000522800000000, -0.0001184500000000 ] - [ -0.0007215100000000, 0.0001484500000000, 0.0000120700000000 ] - [ 0.0075023100000000, 0.0023513300000000, -0.0022885200000000 ] - [ -0.0046465300000000, -0.0026589000000000, -0.0026281600000000 ] - [ 0.0022200500000000, 0.0000094300000000, 0.0010374700000000 ] - [ 0.0002638400000000, 0.0012128900000000, -0.0009946600000000 ] - [ -0.0063042300000000, -0.0144702500000000, -0.0134925700000000 ] - [ -0.0031222300000000, 0.0008356900000000, -0.0001049000000000 ] - [ 0.0011769900000000, 0.0007408300000000, -0.0002725500000000 ] - [ 0.0002009900000000, -0.0009627200000000, 0.0011042200000000 ] - [ -0.0012268300000000, -0.0031814400000000, -0.0030230100000000 ] - [ -0.0036986400000000, 0.0002659800000000, 0.0006982000000000 ] - [ 0.0052345100000000, -0.0015401900000000, 0.0023293400000000 ] - [ -0.0018194100000000, 0.0004401600000000, 0.0002396200000000 ] - [ 0.0015513400000000, 0.0005617500000000, 0.0001023200000000 ] - [ -0.0029647300000000, -0.0029966100000000, 0.0019441500000000 ] - [ -0.0005333800000000, 0.0006812700000000, 0.0008637500000000 ] - [ -0.0015513400000000, -0.0005073000000000, 0.0003675400000000 ] - [ 0.0020252400000000, -0.0014587400000000, 0.0011225500000000 ] - [ -0.0047777100000000, 0.0019217400000000, -0.0014664600000000 ] - [ -0.0021436100000000, 0.0020946200000000, 0.0025036200000000 ] - [ -0.0013721700000000, -0.0001232400000000, -0.0002943100000000 ] - [ 0.0675138700000000, 0.0972788300000000, 0.0067224800000000 ] - [ 0.0003320000000000, 0.0003071300000000, 0.0001910800000000 ] - [ -0.0000265600000000, -0.0003151700000000, 0.0001194000000000 ] - [ -0.0017367500000000, 0.0014985700000000, 0.0003444700000000 ] - [ 0.0906301700000000, -0.0207265100000000, 0.1165355600000000 ] - [ 0.0006297800000000, -0.0003472300000000, -0.0000117300000000 ] - [ -0.0002130800000000, 0.0001817000000000, 0.0000655700000000 ] - [ -0.0005282900000000, -0.0006411000000000, -0.0005227700000000 ] - [ -0.0208805800000000, -0.0067868500000000, -0.0035805200000000 ] - [ 0.0006410600000000, 0.0004233200000000, -0.0002397700000000 ] - [ -0.0001711700000000, -0.0000333200000000, -0.0002646700000000 ] - [ -0.0014083600000000, 0.0001957100000000, -0.0002654600000000 ] - [ 0.0001652300000000, 0.0002028300000000, 0.0000667400000000 ] - [ -0.0001253200000000, 0.0000590300000000, 0.0001976700000000 ] - [ -0.0001810900000000, -0.0004129800000000, -0.0000273500000000 ] - [ -0.0001161900000000, -0.0003937700000000, 0.0003932400000000 ] - [ 0.0001550000000000, 0.0002528300000000, -0.0000005100000000 ] - [ 0.0005675900000000, 0.0002138000000000, 0.0000943700000000 ] - [ -0.0001131100000000, -0.0001046500000000, 0.0000806000000000 ] - [ -0.0002875600000000, 0.0003508000000000, 0.0001849800000000 ] - [ 0.0001760100000000, 0.0000770000000000, 0.0004496800000000 ] - [ 0.0004640600000000, -0.0003775500000000, -0.0000358500000000 ] - [ -0.0001177200000000, 0.0002184300000000, 0.0001875700000000 ] - [ -0.0006818800000000, -0.0001098800000000, 0.0001146300000000 ] - [ 0.0005334100000000, -0.0000763700000000, -0.0002740000000000 ] - [ 0.0006975200000000, 0.0000051200000000, -0.0002346100000000 ] - [ 0.0000393700000000, -0.0000997400000000, -0.0002636800000000 ] - [ -0.0041768900000000, 0.0005475000000000, -0.0000843700000000 ] - [ 0.0002439800000000, -0.0004052200000000, 0.0000482800000000 ] - [ -0.0021224500000000, -0.0004447600000000, -0.0006985400000000 ] - [ -0.0000928900000000, 0.0063137100000000, 0.0034508500000000 ] - [ 0.0000138800000000, 0.0000675800000000, 0.0001563500000000 ] - [ -0.0025784400000000, 0.0003760700000000, 0.0006107000000000 ] - [ -0.0011215100000000, -0.0015124000000000, 0.0013277500000000 ] - [ 0.0085212300000000, 0.0044326400000000, 0.0040490300000000 ] - [ 0.0029287500000000, 0.0011009000000000, -0.0001716500000000 ] - [ -0.0020558200000000, -0.0005003400000000, -0.0003731700000000 ] - [ -0.0005957000000000, 0.0007802800000000, -0.0011711400000000 ] - [ 0.0018688500000000, 0.0013085300000000, 0.0011528500000000 ] - [ 0.0030974900000000, -0.0001525100000000, 0.0010074700000000 ] - [ -0.0006132300000000, 0.0002256800000000, -0.0011442900000000 ] - [ 0.0010213300000000, -0.0016687000000000, 0.0012830500000000 ] - [ -0.0001141500000000, 0.0051888000000000, 0.0050197300000000 ] - [ 0.0022376100000000, -0.0008108200000000, -0.0007095500000000 ] - [ -0.0003258200000000, 0.0003284600000000, 0.0003191700000000 ] - [ 0.0007299700000000, -0.0007863500000000, 0.0004760600000000 ] - [ 0.0597780300000000, 0.0073713300000000, 0.0021758100000000 ] - [ 0.0005150700000000, -0.0005069600000000, -0.0001554900000000 ] - [ -0.0007941700000000, -0.0006951900000000, 0.0003751900000000 ] - [ 0.0007264700000000, 0.0003757500000000, -0.0001085400000000 ] - [ -0.0002297200000000, 0.0011801500000000, 0.0016214400000000 ] - [ 0.0008326400000000, -0.0002991800000000, -0.0000836000000000 ] - [ -0.1992461400000000, -0.0740383800000000, -0.1258578900000000 ] - [ -0.0004297300000000, -0.0007998000000000, -0.0004986200000000 ] - [ 0.0008000200000000, 0.0006166500000000, -0.0004360900000000 ] - [ 0.0006619600000000, -0.0004973600000000, -0.0001874500000000 ] - [ -0.0018994000000000, 0.0004853700000000, 0.0001788900000000 ] - [ -0.0018937500000000, 0.0093991200000000, -0.0036891600000000 ] - [ 0.0005894900000000, -0.0002578900000000, -0.0001938100000000 ] - [ 0.0012942200000000, 0.0002334400000000, -0.0002738500000000 ] - [ -0.0028766600000000, -0.0001823200000000, -0.0006649600000000 ] - [ -0.0003306000000000, -0.0078222900000000, 0.0118641000000000 ] - [ 0.0019772000000000, -0.0005829700000000, -0.0007797600000000 ] - [ 0.0010916800000000, -0.0003126300000000, 0.0001396700000000 ] - [ -0.0002668100000000, -0.0007075000000000, -0.0001614000000000 ] - [ 0.0005814300000000, 0.0016178600000000, -0.0018581000000000 ] - [ -0.0001217400000000, -0.0015083100000000, -0.0014928700000000 ] - [ 0.0007889000000000, 0.0005152600000000, -0.0000862800000000 ] - [ -0.0003267200000000, 0.0004728800000000, 0.0003462000000000 ] - [ 0.0040826300000000, 0.0012924400000000, 0.0002103200000000 ] - [ -0.0004009400000000, 0.0002599100000000, -0.0000326300000000 ] - [ 0.0003238900000000, 0.0002787300000000, -0.0002554900000000 ] - [ -0.0009514200000000, 0.0007222800000000, -0.0003755000000000 ] - [ 0.0026242100000000, -0.0000358000000000, 0.0010992900000000 ] - [ 0.0010034900000000, -0.0049458900000000, -0.0028974800000000 ] - [ -0.0000078200000000, 0.0001033800000000, 0.0006919300000000 ] - [ -0.0009185600000000, 0.0004308700000000, -0.0006046300000000 ] - [ -0.0004380500000000, -0.0004877100000000, -0.0004762200000000 ] - [ 0.0005669000000000, 0.0007051100000000, -0.0004949000000000 ] - [ 0.0027902900000000, -0.0015305800000000, -0.0007157400000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023667100000000, -0.0008045400000000, -0.0007282900000000 ] - [ 0.0015109300000000, 0.0002849500000000, -0.0004566000000000 ] - [ -0.0011305400000000, -0.0000585600000000, 0.0002556000000000 ] - [ 0.0007195400000000, -0.0001457900000000, 0.0001293000000000 ] - [ -0.0074199000000000, -0.0023106800000000, 0.0016279600000000 ] - [ 0.0046292800000000, 0.0026367700000000, 0.0019772400000000 ] - [ -0.0025922400000000, 0.0003095100000000, -0.0004042700000000 ] - [ 0.0001232200000000, -0.0015175300000000, 0.0016123000000000 ] - [ 0.0066997200000000, 0.0146657200000000, 0.0140024000000000 ] - [ 0.0027174900000000, -0.0011658000000000, 0.0007484200000000 ] - [ -0.0014880800000000, -0.0009381000000000, 0.0003409300000000 ] - [ 0.0001138000000000, 0.0011572400000000, -0.0010258300000000 ] - [ 0.0015528800000000, 0.0029617300000000, 0.0030728300000000 ] - [ 0.0033678600000000, -0.0000633700000000, -0.0006439500000000 ] - [ -0.0051688100000000, 0.0015087000000000, -0.0029187600000000 ] - [ 0.0018158700000000, -0.0004375100000000, -0.0008698600000000 ] - [ -0.0019315200000000, -0.0002449400000000, 0.0005297000000000 ] - [ 0.0032535800000000, 0.0027435700000000, -0.0013451700000000 ] - [ 0.0009342000000000, -0.0003618700000000, -0.0002296100000000 ] - [ 0.0011472500000000, 0.0001885800000000, 0.0002684200000000 ] - [ -0.0023326700000000, 0.0012520300000000, -0.0010432500000000 ] - [ 0.0049845200000000, -0.0017494000000000, 0.0015938700000000 ] - [ 0.0024755800000000, -0.0022936800000000, -0.0024330400000000 ] - [ 0.0010380400000000, 0.0003288500000000, 0.0003619600000000 ] - [ -0.0652519600000000, -0.0987037700000000, -0.0065678000000000 ] - [ -0.0000066000000000, 0.0001963500000000, 0.0000399000000000 ] - [ 0.0003527000000000, -0.0001959200000000, 0.0001137600000000 ] - [ 0.0014003000000000, -0.0009820600000000, -0.0001122600000000 ] - [ -0.0890928500000000, 0.0225282900000000, -0.1199632800000000 ] - [ -0.0003919500000000, -0.0001996600000000, 0.0001845400000000 ] - [ 0.0004491300000000, 0.0003645700000000, 0.0000982100000000 ] - [ 0.0002914800000000, 0.0000929000000000, 0.0006853600000000 ] - [ 0.0209685800000000, 0.0064815800000000, 0.0029037900000000 ] - [ 0.0000302500000000, -0.0002210500000000, -0.0002689700000000 ] - [ 0.0008489300000000, -0.0001692300000000, -0.0002451100000000 ] - [ 0.0007274400000000, 0.0000076500000000, -0.0002450500000000 ] - [ 0.0000137100000000, -0.0001424800000000, 0.0003514400000000 ] - [ -0.0000518500000000, -0.0001182900000000, 0.0002218200000000 ] - [ 0.0000045600000000, 0.0004688000000000, 0.0004448100000000 ] - [ 0.0002932500000000, 0.0003380000000000, 0.0000227000000000 ] - [ -0.0004769600000000, -0.0007548800000000, 0.0002316300000000 ] - [ -0.0002406300000000, 0.0002917100000000, 0.0001337100000000 ] - [ 0.0004379700000000, -0.0004014200000000, 0.0001518400000000 ] - [ -0.0000370500000000, 0.0001567400000000, 0.0000476800000000 ] - [ -0.0004080500000000, 0.0004658500000000, -0.0002777900000000 ] - [ -0.0002263400000000, -0.0001667700000000, 0.0002038100000000 ] - [ 0.0003528600000000, 0.0003267600000000, -0.0000191200000000 ] - [ 0.0004468600000000, -0.0004295400000000, 0.0000585000000000 ] - [ -0.0011999500000000, -0.0001266700000000, -0.0002361900000000 ] - [ -0.0000280600000000, 0.0001975800000000, -0.0002756800000000 ] - [ 0.0006379800000000, -0.0001035100000000, -0.0002457900000000 ] - [ 0.0034968000000000, -0.0003504100000000, -0.0004248300000000 ] - [ -0.0000652700000000, 0.0004614700000000, 0.0003706700000000 ] - [ 0.0019773800000000, 0.0003885300000000, 0.0011400900000000 ] - [ -0.0000580400000000, -0.0062023500000000, -0.0030040200000000 ] - [ 0.0001629700000000, -0.0001301000000000, 0.0002648800000000 ] - [ 0.0027924700000000, -0.0005944200000000, -0.0006370300000000 ] - [ 0.0008836700000000, 0.0017096900000000, -0.0013469000000000 ] - [ -0.0086848000000000, -0.0046071900000000, -0.0040462400000000 ] - [ -0.0026805300000000, -0.0008705400000000, 0.0001308400000000 ] - [ 0.0018324100000000, 0.0007969800000000, 0.0004093200000000 ] - [ 0.0008044000000000, -0.0010667700000000, 0.0011962600000000 ] - [ -0.0016606600000000, -0.0009974800000000, -0.0010981800000000 ] - [ -0.0032906000000000, -0.0001486100000000, -0.0009533600000000 ] - [ 0.0012800400000000, -0.0007690700000000, 0.0006593200000000 ] - [ -0.0016638200000000, 0.0021989300000000, -0.0017543200000000 ] - [ -0.0005627500000000, -0.0056927200000000, -0.0054586500000000 ] - [ -0.0015638300000000, 0.0013645200000000, 0.0002359500000000 ] - [ 0.0003825800000000, 0.0000951400000000, -0.0002508500000000 ] - [ -0.0007843100000000, 0.0003599500000000, -0.0004049700000000 ] - [ -0.0584077500000000, -0.0068718000000000, -0.0021938800000000 ] - [ -0.0004433900000000, 0.0000914600000000, 0.0002129400000000 ] - [ 0.0000616200000000, 0.0005371600000000, 0.0002072800000000 ] - [ 0.0000068200000000, -0.0002192700000000, 0.0006872300000000 ] - [ 0.0009517500000000, -0.0013253400000000, -0.0010280300000000 ] - [ -0.0015538400000000, 0.0004503500000000, 0.0006779300000000 ] - [ 0.1920667300000000, 0.0749584200000000, 0.1287967900000000 ] - [ 0.0007882400000000, -0.0004584400000000, -0.0004453800000000 ] - [ -0.0004426500000000, 0.0006444600000000, -0.0005049000000000 ] - [ -0.0010124700000000, -0.0007633200000000, -0.0007522300000000 ] - [ 0.0021181500000000, -0.0006934600000000, -0.0002156700000000 ] - [ 0.0017409200000000, -0.0090527400000000, 0.0036155800000000 ] - [ -0.0008260200000000, 0.0000369200000000, 0.0001549200000000 ] - [ -0.0010523600000000, -0.0000140200000000, 0.0002344600000000 ] - [ 0.0026494100000000, 0.0004764000000000, 0.0006982700000000 ] - [ 0.0006341600000000, 0.0074524700000000, -0.0117107100000000 ] - [ -0.0017738200000000, 0.0008806200000000, 0.0008207800000000 ] - [ -0.0012910500000000, 0.0000095000000000, -0.0000956000000000 ] - [ 0.0009370200000000, 0.0001623100000000, -0.0003164600000000 ] - [ -0.0012286100000000, -0.0010744400000000, 0.0013724200000000 ] - [ -0.0005562700000000, 0.0009624400000000, 0.0010121700000000 ] - [ -0.0001081900000000, 0.0000277500000000, -0.0003921000000000 ] - [ 0.0003849700000000, -0.0000475600000000, -0.0002795000000000 ] - [ -0.0041502900000000, -0.0017582100000000, -0.0001342000000000 ] - [ 0.0003337800000000, 0.0001623700000000, 0.0000964700000000 ] - [ -0.0002543800000000, -0.0007004900000000, 0.0003190100000000 ] - [ 0.0002186500000000, -0.0008719200000000, 0.0009512500000000 ] - [ -0.0018826600000000, 0.0002100100000000, -0.0005572900000000 ] - [ -0.0002957600000000, 0.0047687100000000, 0.0034662700000000 ] - [ -0.0007132700000000, 0.0000511800000000, -0.0001069400000000 ] - [ 0.0005574200000000, 0.0008293800000000, -0.0003387200000000 ] - [ 0.0007972100000000, -0.0007725200000000, -0.0004632100000000 ] - [ -0.0002098500000000, 0.0005585700000000, -0.0004478900000000 ] - [ -0.0031393600000000, 0.0002601400000000, -0.0002278000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002722200000000, 0.0015995600000000, -0.0002707300000000 ] - [ 0.0001455400000000, 0.0000432700000000, 0.0000981900000000 ] - [ 0.0000484200000000, -0.0011605200000000, -0.0011966500000000 ] - [ -0.0002500100000000, -0.0000957300000000, 0.0001964000000000 ] - [ -0.0034698800000000, -0.0020511800000000, 0.0033179600000000 ] - [ -0.0000166700000000, 0.0002172600000000, -0.0003636400000000 ] - [ -0.0013710900000000, 0.0013028500000000, 0.0010535700000000 ] - [ 0.0012421100000000, -0.0017315400000000, 0.0017053600000000 ] - [ -0.0015428600000000, 0.0007326900000000, 0.0009307800000000 ] - [ 0.0006821600000000, -0.0009607700000000, 0.0006865800000000 ] - [ 0.0023546600000000, -0.0003138200000000, 0.0005410500000000 ] - [ -0.0012152300000000, -0.0020466000000000, 0.0023363400000000 ] - [ -0.0004308900000000, -0.0009109000000000, -0.0006537900000000 ] - [ 0.0005927800000000, 0.0010765500000000, -0.0007447700000000 ] - [ 0.0072614600000000, -0.0057108200000000, 0.0050954600000000 ] - [ 0.0000849800000000, -0.0002497600000000, -0.0006312500000000 ] - [ 0.0015845100000000, -0.0010564100000000, -0.0003434000000000 ] - [ -0.0119034800000000, 0.0026061100000000, -0.0007024700000000 ] - [ 0.0003190500000000, -0.0005676000000000, -0.0001221700000000 ] - [ -0.0004144700000000, 0.0003060400000000, 0.0001219300000000 ] - [ -0.0029165800000000, -0.0003330900000000, 0.0005076800000000 ] - [ 0.0073188300000000, 0.0004123900000000, -0.0012135200000000 ] - [ 0.0009841300000000, -0.0009492300000000, -0.0010251000000000 ] - [ -0.0005879600000000, -0.0002286800000000, -0.0001966200000000 ] - [ 0.1096430000000000, 0.3188179000000000, -0.0319048600000000 ] - [ -0.0003377400000000, -0.0013895800000000, -0.0004539400000000 ] - [ 0.0002631300000000, -0.0007403600000000, 0.0001952500000000 ] - [ -0.0003385900000000, 0.0009040600000000, 0.0002320600000000 ] - [ -0.0422876600000000, 0.0722421100000000, -0.1066254800000000 ] - [ 0.0001811100000000, -0.0015166900000000, 0.0001976900000000 ] - [ 0.0002225700000000, 0.0004617800000000, -0.0000657000000000 ] - [ -0.0002174100000000, -0.0004161900000000, -0.0000679600000000 ] - [ -0.0039069700000000, 0.0198446000000000, -0.0046570900000000 ] - [ 0.0011372800000000, -0.0004318300000000, -0.0002700600000000 ] - [ 0.0001791800000000, 0.0000223500000000, -0.0002567000000000 ] - [ 0.0000099500000000, -0.0000747800000000, -0.0001999900000000 ] - [ 0.0001101900000000, 0.0009128800000000, 0.0007189000000000 ] - [ 0.0000157300000000, -0.0012377700000000, 0.0008254000000000 ] - [ -0.0001326400000000, -0.0007140800000000, -0.0000668500000000 ] - [ 0.0000923600000000, 0.0008682800000000, 0.0000388700000000 ] - [ -0.0004308500000000, -0.0013202300000000, 0.0003302800000000 ] - [ 0.0003138600000000, 0.0013580500000000, 0.0003469000000000 ] - [ 0.0001051400000000, 0.0001394700000000, 0.0000632400000000 ] - [ -0.0001079500000000, -0.0001629900000000, 0.0000556200000000 ] - [ 0.0004085200000000, -0.0004123400000000, 0.0011015900000000 ] - [ -0.0000703900000000, 0.0000620500000000, 0.0009654800000000 ] - [ 0.0000144400000000, 0.0000805200000000, 0.0001780000000000 ] - [ -0.0000492000000000, -0.0001879400000000, 0.0000913400000000 ] - [ -0.0002802300000000, -0.0003126700000000, -0.0002192700000000 ] - [ 0.0001126700000000, 0.0003233200000000, -0.0001321100000000 ] - [ 0.0005807500000000, -0.0002402300000000, -0.0002442300000000 ] - [ -0.0019853800000000, 0.0003475300000000, -0.0002226700000000 ] - [ 0.0000547400000000, -0.0010681900000000, -0.0002650700000000 ] - [ -0.0003030700000000, 0.0026909600000000, -0.0009710800000000 ] - [ 0.0013787200000000, 0.0014044800000000, 0.0005678900000000 ] - [ 0.0000369700000000, -0.0011285000000000, 0.0005957600000000 ] - [ 0.0014586900000000, -0.0012443000000000, -0.0009647600000000 ] - [ -0.0004612200000000, 0.0019418500000000, -0.0012317600000000 ] - [ 0.0003616300000000, -0.0004141600000000, -0.0003758600000000 ] - [ -0.0003781400000000, 0.0003901400000000, -0.0000977200000000 ] - [ -0.0024296000000000, 0.0006371000000000, -0.0017764300000000 ] - [ 0.0004270300000000, 0.0025547500000000, -0.0029402500000000 ] - [ 0.0006217200000000, 0.0004182700000000, 0.0001822900000000 ] - [ -0.0005258600000000, -0.0005254100000000, 0.0001553600000000 ] - [ 0.0009650600000000, -0.0008273900000000, -0.0007567100000000 ] - [ -0.0022069400000000, 0.0019000100000000, -0.0011763100000000 ] - [ 0.0011585600000000, -0.0002996900000000, 0.0005104300000000 ] - [ -0.0008316600000000, 0.0005409900000000, 0.0001901900000000 ] - [ 0.0005826400000000, -0.0008738700000000, -0.0004949800000000 ] - [ -0.0007646900000000, 0.0011303400000000, -0.0007619300000000 ] - [ 0.0041413900000000, -0.0093857800000000, 0.0005862000000000 ] - [ -0.0004568400000000, 0.0007890500000000, -0.0000805200000000 ] - [ -0.0011556100000000, -0.0008352500000000, -0.0004205500000000 ] - [ 0.0011259000000000, 0.0015580700000000, -0.0009843300000000 ] - [ 0.0006479800000000, 0.0006633900000000, 0.0006632600000000 ] - [ -0.0005325800000000, -0.0009805000000000, 0.0005829400000000 ] - [ -0.0692864700000000, -0.4271536500000000, 0.1596893500000000 ] - [ 0.0000081800000000, 0.0017371400000000, -0.0000841200000000 ] - [ 0.0001930700000000, 0.0002103600000000, -0.0004062700000000 ] - [ -0.0003110500000000, -0.0002190100000000, -0.0004056800000000 ] - [ -0.0020262200000000, 0.0025680700000000, 0.0004337600000000 ] - [ 0.0094253400000000, 0.0203738300000000, -0.0070541400000000 ] - [ -0.0001860400000000, 0.0002978600000000, 0.0001394800000000 ] - [ 0.0002410800000000, -0.0001337200000000, 0.0000620700000000 ] - [ 0.0016631500000000, 0.0013425100000000, -0.0010620600000000 ] - [ -0.0077794700000000, 0.0028499200000000, -0.0130217500000000 ] - [ -0.0006047000000000, 0.0003320400000000, 0.0004040800000000 ] - [ 0.0001151000000000, 0.0000545300000000, 0.0000704300000000 ] - [ -0.0003775000000000, 0.0001689300000000, 0.0000093400000000 ] - [ 0.0029747000000000, 0.0017481500000000, -0.0026476400000000 ] - [ -0.0005763100000000, 0.0003769400000000, 0.0003239600000000 ] - [ 0.0006355400000000, 0.0002602000000000, 0.0000289200000000 ] - [ -0.0007474500000000, 0.0014461500000000, 0.0006822400000000 ] - [ 0.0038061100000000, -0.0028789700000000, 0.0019187000000000 ] - [ 0.0000478800000000, 0.0009950800000000, 0.0002414600000000 ] - [ 0.0001287300000000, -0.0009691700000000, -0.0000202500000000 ] - [ 0.0004017100000000, 0.0008147600000000, 0.0007197700000000 ] - [ -0.0013900900000000, -0.0020903400000000, 0.0015921700000000 ] - [ -0.0014681100000000, 0.0002923200000000, 0.0011878000000000 ] - [ -0.0000361300000000, 0.0011392100000000, 0.0004786300000000 ] - [ -0.0003783600000000, 0.0017925500000000, -0.0011193600000000 ] - [ 0.0003190000000000, -0.0014989300000000, -0.0009342600000000 ] - [ 0.0001054600000000, 0.0011294700000000, -0.0005149900000000 ] - [ 0.0007158800000000, -0.0011798400000000, -0.0005286100000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002617900000000, -0.0015639200000000, 0.0004723500000000 ] - [ -0.0001458700000000, -0.0000414600000000, 0.0000431600000000 ] - [ -0.0000443100000000, 0.0011748900000000, 0.0013491300000000 ] - [ 0.0002472600000000, 0.0000952500000000, -0.0000524000000000 ] - [ 0.0035461900000000, 0.0020846500000000, -0.0039774100000000 ] - [ 0.0000312600000000, -0.0002052500000000, -0.0002574900000000 ] - [ 0.0009780100000000, -0.0009915800000000, -0.0004254900000000 ] - [ -0.0008467100000000, 0.0014282500000000, -0.0010887200000000 ] - [ 0.0019525200000000, -0.0003345300000000, -0.0002244300000000 ] - [ -0.0010681300000000, 0.0006412300000000, -0.0000500000000000 ] - [ -0.0027107600000000, 0.0001209300000000, -0.0004819700000000 ] - [ 0.0015447600000000, 0.0022461300000000, -0.0022647800000000 ] - [ 0.0007572900000000, 0.0007184500000000, 0.0007327800000000 ] - [ -0.0009076200000000, -0.0008741800000000, 0.0008106300000000 ] - [ -0.0071951500000000, 0.0057275600000000, -0.0057034000000000 ] - [ -0.0000868500000000, 0.0002502000000000, -0.0000007300000000 ] - [ -0.0019860200000000, 0.0013858900000000, 0.0009814500000000 ] - [ 0.0122836200000000, -0.0028892800000000, 0.0013234900000000 ] - [ 0.0000754100000000, 0.0008908800000000, 0.0007588100000000 ] - [ 0.0000186400000000, -0.0006263400000000, 0.0005131200000000 ] - [ 0.0025850600000000, 0.0001329600000000, -0.0004348700000000 ] - [ -0.0070766500000000, -0.0002227000000000, 0.0013154500000000 ] - [ -0.0006666100000000, 0.0007529600000000, 0.0011012600000000 ] - [ 0.0002627100000000, 0.0004331500000000, 0.0002642500000000 ] - [ -0.1204595400000000, -0.3425249100000000, 0.0372556500000000 ] - [ 0.0006626300000000, 0.0018986400000000, 0.0006845300000000 ] - [ 0.0000618400000000, 0.0002352900000000, 0.0000364000000000 ] - [ 0.0000198400000000, -0.0004037500000000, 0.0000003800000000 ] - [ 0.0413832100000000, -0.0736369700000000, 0.1057321100000000 ] - [ 0.0000525900000000, 0.0009667600000000, -0.0000185500000000 ] - [ 0.0000128200000000, 0.0000820600000000, 0.0002341100000000 ] - [ -0.0000169100000000, -0.0001281500000000, 0.0002372000000000 ] - [ 0.0036454200000000, -0.0201679400000000, 0.0042040700000000 ] - [ -0.0004543400000000, 0.0006330100000000, -0.0002378300000000 ] - [ 0.0004927500000000, -0.0002264200000000, -0.0002530500000000 ] - [ -0.0006862800000000, 0.0002785700000000, -0.0003105400000000 ] - [ 0.0000653700000000, -0.0008602500000000, -0.0003044500000000 ] - [ -0.0001926900000000, 0.0011819000000000, -0.0004076600000000 ] - [ -0.0000438300000000, 0.0007776700000000, 0.0004881400000000 ] - [ 0.0000860700000000, -0.0009304900000000, 0.0003796100000000 ] - [ 0.0001085800000000, 0.0008197200000000, -0.0000996400000000 ] - [ 0.0000101900000000, -0.0008596000000000, -0.0001186500000000 ] - [ 0.0002205900000000, -0.0006502000000000, 0.0001691700000000 ] - [ -0.0002181400000000, 0.0006734700000000, 0.0001775700000000 ] - [ -0.0006421100000000, 0.0009576400000000, -0.0009333100000000 ] - [ 0.0003076600000000, -0.0006062300000000, -0.0008070000000000 ] - [ 0.0002213800000000, 0.0004648400000000, -0.0000111000000000 ] - [ -0.0001872600000000, -0.0003617700000000, 0.0000722300000000 ] - [ -0.0003921100000000, 0.0001107700000000, -0.0002909000000000 ] - [ 0.0005678900000000, -0.0001210200000000, -0.0003784400000000 ] - [ 0.0000893000000000, 0.0000381600000000, -0.0002654900000000 ] - [ 0.0013185700000000, -0.0001472800000000, -0.0002878400000000 ] - [ 0.0001208300000000, 0.0011325600000000, 0.0006881100000000 ] - [ 0.0001343100000000, -0.0027608300000000, 0.0013991900000000 ] - [ -0.0015826600000000, -0.0013894500000000, -0.0001596200000000 ] - [ 0.0001407400000000, 0.0010705400000000, -0.0001765600000000 ] - [ -0.0012339100000000, 0.0010316100000000, 0.0009392400000000 ] - [ 0.0002176500000000, -0.0017442400000000, 0.0012141700000000 ] - [ -0.0006353900000000, 0.0001686800000000, 0.0003155100000000 ] - [ 0.0006056400000000, -0.0001775600000000, 0.0000593900000000 ] - [ 0.0022245700000000, -0.0003619400000000, 0.0018290300000000 ] - [ -0.0002326100000000, -0.0028538600000000, 0.0029764800000000 ] - [ -0.0004182700000000, -0.0001225700000000, -0.0001433100000000 ] - [ 0.0003099300000000, 0.0002231900000000, -0.0001153800000000 ] - [ -0.0002881500000000, 0.0002823500000000, 0.0002819600000000 ] - [ 0.0015542400000000, -0.0013734800000000, 0.0007104000000000 ] - [ -0.0018236700000000, -0.0002688300000000, -0.0010084600000000 ] - [ 0.0014981000000000, 0.0000047600000000, -0.0006651700000000 ] - [ -0.0005191100000000, 0.0013027300000000, 0.0005631200000000 ] - [ 0.0007050800000000, -0.0015596800000000, 0.0008327600000000 ] - [ -0.0046266600000000, 0.0098160500000000, -0.0005406300000000 ] - [ 0.0005136200000000, -0.0012136700000000, 0.0001437100000000 ] - [ 0.0004363800000000, 0.0006861900000000, 0.0010089600000000 ] - [ -0.0003994100000000, -0.0014069200000000, 0.0015669900000000 ] - [ 0.0000833100000000, -0.0008249300000000, -0.0000860200000000 ] - [ -0.0002003900000000, 0.0011388000000000, 0.0000020700000000 ] - [ 0.0800875400000000, 0.4538058300000000, -0.1649477000000000 ] - [ 0.0003463600000000, -0.0029923900000000, -0.0008610900000000 ] - [ 0.0001653000000000, 0.0010542200000000, -0.0005355800000000 ] - [ -0.0000437900000000, -0.0010472500000000, -0.0005371900000000 ] - [ 0.0022570300000000, -0.0027902700000000, -0.0004717100000000 ] - [ -0.0097332100000000, -0.0202506700000000, 0.0070333800000000 ] - [ -0.0000480300000000, -0.0005206100000000, -0.0001780000000000 ] - [ -0.0000046000000000, 0.0003551000000000, -0.0001008800000000 ] - [ -0.0018789100000000, -0.0010458800000000, 0.0010908000000000 ] - [ 0.0080419400000000, -0.0032437000000000, 0.0131516100000000 ] - [ 0.0008201100000000, -0.0000302200000000, -0.0003611500000000 ] - [ -0.0003204400000000, -0.0003582200000000, -0.0000255200000000 ] - [ 0.0010593900000000, -0.0007195200000000, -0.0004908500000000 ] - [ -0.0036454700000000, -0.0012072400000000, 0.0021663500000000 ] - [ -0.0000966200000000, -0.0009255200000000, -0.0008053200000000 ] - [ 0.0000387400000000, 0.0002827900000000, -0.0005078300000000 ] - [ 0.0008160900000000, -0.0010325300000000, -0.0006220000000000 ] - [ -0.0038788800000000, 0.0024574200000000, -0.0018515700000000 ] - [ -0.0001119700000000, -0.0005798000000000, -0.0001792900000000 ] - [ -0.0000689500000000, 0.0005495700000000, 0.0000841200000000 ] - [ -0.0011274100000000, -0.0009758400000000, -0.0001403400000000 ] - [ 0.0021330800000000, 0.0022572900000000, -0.0010275300000000 ] - [ 0.0022265200000000, -0.0004397400000000, -0.0006129300000000 ] - [ -0.0006916800000000, -0.0009882300000000, 0.0001048800000000 ] - [ 0.0000198000000000, -0.0005368500000000, 0.0001776400000000 ] - [ 0.0000349000000000, 0.0002408300000000, -0.0000023400000000 ] - [ 0.0002535000000000, 0.0001294400000000, -0.0004259800000000 ] - [ -0.0010778100000000, -0.0000751600000000, -0.0004108000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003133500000000, -0.0007352900000000, 0.0007469400000000 ] - [ -0.0003319900000000, 0.0000381500000000, 0.0001725400000000 ] - [ -0.0002058600000000, -0.0008234500000000, 0.0001263100000000 ] - [ 0.0000249300000000, 0.0000608300000000, 0.0000109100000000 ] - [ 0.0075953300000000, 0.0044266400000000, -0.0053919600000000 ] - [ 0.0000521800000000, -0.0001001500000000, 0.0001537900000000 ] - [ 0.0015546100000000, -0.0004168000000000, -0.0010624600000000 ] - [ -0.0004773300000000, 0.0018295000000000, -0.0021616200000000 ] - [ -0.0013519300000000, 0.0013932500000000, 0.0017893600000000 ] - [ 0.0001545600000000, -0.0007762400000000, 0.0015695900000000 ] - [ -0.0022848500000000, 0.0005935600000000, -0.0002099600000000 ] - [ 0.0007993300000000, 0.0009068200000000, -0.0008997400000000 ] - [ -0.0003648400000000, -0.0007075400000000, -0.0006600900000000 ] - [ 0.0012013600000000, -0.0004454600000000, 0.0000125000000000 ] - [ -0.0011862400000000, 0.0028337800000000, -0.0015999700000000 ] - [ 0.0001881300000000, -0.0001081000000000, -0.0004693300000000 ] - [ -0.0008749600000000, 0.0006251300000000, 0.0010426900000000 ] - [ 0.0049060200000000, -0.0005235900000000, 0.0011985900000000 ] - [ 0.0002348400000000, 0.0000789700000000, -0.0000591600000000 ] - [ -0.0001183000000000, -0.0001552300000000, -0.0000193000000000 ] - [ 0.0018734400000000, 0.0002488700000000, 0.0002646000000000 ] - [ -0.0112201400000000, -0.0003791600000000, 0.0028499000000000 ] - [ 0.0007293500000000, -0.0007239100000000, -0.0007179100000000 ] - [ -0.0000741400000000, 0.0000889500000000, 0.0002934000000000 ] - [ -0.0065394600000000, -0.0631065500000000, 0.0392490500000000 ] - [ 0.0002819100000000, 0.0006279000000000, 0.0002271100000000 ] - [ 0.0001728000000000, -0.0002415600000000, 0.0001656300000000 ] - [ -0.0001739800000000, 0.0002062500000000, 0.0001945300000000 ] - [ 0.1234163300000000, -0.0718925400000000, 0.2489720400000000 ] - [ -0.0000414900000000, 0.0004013900000000, 0.0008945100000000 ] - [ 0.0002010200000000, 0.0003395300000000, -0.0001639600000000 ] - [ -0.0002053200000000, -0.0003996800000000, -0.0001748100000000 ] - [ -0.0002980000000000, -0.0041183800000000, 0.0179424300000000 ] - [ 0.0003513300000000, 0.0001961500000000, 0.0000239200000000 ] - [ 0.0004245000000000, -0.0001158200000000, -0.0002889300000000 ] - [ -0.0007861900000000, 0.0002200200000000, -0.0003743600000000 ] - [ -0.0000021900000000, -0.0003986600000000, -0.0003591500000000 ] - [ -0.0001532700000000, 0.0006186000000000, -0.0002190900000000 ] - [ -0.0000699000000000, -0.0001450300000000, -0.0000155700000000 ] - [ 0.0001583200000000, 0.0003063900000000, -0.0003648500000000 ] - [ 0.0001720300000000, 0.0005803800000000, -0.0001898000000000 ] - [ 0.0000253500000000, -0.0004093200000000, -0.0009273000000000 ] - [ 0.0001500100000000, -0.0003208000000000, 0.0000543900000000 ] - [ -0.0001677700000000, 0.0003549700000000, 0.0001217100000000 ] - [ -0.0002944800000000, 0.0005417900000000, -0.0004426500000000 ] - [ 0.0003368900000000, -0.0002860800000000, -0.0009760900000000 ] - [ 0.0001234900000000, 0.0002762200000000, 0.0001704700000000 ] - [ -0.0000432200000000, -0.0002312700000000, 0.0002463600000000 ] - [ -0.0002120800000000, -0.0000538400000000, -0.0003767700000000 ] - [ 0.0003303600000000, 0.0000326100000000, -0.0006239000000000 ] - [ 0.0002421400000000, -0.0000691800000000, -0.0002049200000000 ] - [ 0.0001427900000000, 0.0000096000000000, -0.0003130000000000 ] - [ 0.0000724800000000, 0.0005126400000000, 0.0005864900000000 ] - [ -0.0000159000000000, -0.0014218000000000, 0.0017118800000000 ] - [ 0.0005617700000000, -0.0000938300000000, 0.0008421300000000 ] - [ 0.0001001900000000, 0.0001259700000000, 0.0002864200000000 ] - [ -0.0019114400000000, 0.0003188000000000, 0.0022585900000000 ] - [ -0.0003387500000000, -0.0025821400000000, 0.0029281500000000 ] - [ -0.0001161300000000, -0.0006009800000000, -0.0004099900000000 ] - [ -0.0001004700000000, 0.0001679100000000, -0.0004239700000000 ] - [ 0.0009582500000000, -0.0011745800000000, 0.0010532300000000 ] - [ -0.0002964400000000, -0.0009387100000000, 0.0009047400000000 ] - [ 0.0005764800000000, 0.0003429600000000, 0.0002067500000000 ] - [ -0.0007389600000000, -0.0001019400000000, -0.0000550100000000 ] - [ -0.0002482700000000, -0.0001020000000000, 0.0001268000000000 ] - [ 0.0027804200000000, -0.0021928900000000, 0.0017249100000000 ] - [ 0.0010588100000000, 0.0003250000000000, -0.0006159400000000 ] - [ -0.0005697600000000, 0.0010912200000000, -0.0006985800000000 ] - [ -0.0005308400000000, 0.0008862700000000, 0.0009796200000000 ] - [ 0.0007110900000000, -0.0012641100000000, 0.0011841600000000 ] - [ -0.0012281000000000, 0.0006400400000000, -0.0088994900000000 ] - [ 0.0001767100000000, -0.0002107400000000, -0.0006077800000000 ] - [ 0.0002151300000000, 0.0001567500000000, 0.0009104000000000 ] - [ 0.0000563900000000, -0.0005917100000000, 0.0009616500000000 ] - [ 0.0005776800000000, 0.0002188000000000, 0.0008202600000000 ] - [ -0.0013573700000000, 0.0005024700000000, 0.0013422900000000 ] - [ -0.1226419300000000, 0.1573067000000000, -0.3167459000000000 ] - [ 0.0002044200000000, -0.0010157000000000, -0.0013078600000000 ] - [ 0.0001453500000000, 0.0006970900000000, -0.0002164400000000 ] - [ 0.0001052800000000, -0.0006990200000000, -0.0002556100000000 ] - [ 0.0009366900000000, -0.0010099900000000, -0.0004777600000000 ] - [ -0.0044546400000000, -0.0074595100000000, -0.0015599100000000 ] - [ -0.0001503000000000, -0.0001430800000000, 0.0001031600000000 ] - [ 0.0000112100000000, 0.0001239300000000, 0.0001294900000000 ] - [ -0.0022469000000000, -0.0013062100000000, -0.0001463800000000 ] - [ 0.0113365900000000, -0.0126908800000000, 0.0174014800000000 ] - [ -0.0003861100000000, 0.0002771200000000, 0.0001911600000000 ] - [ -0.0001938300000000, -0.0001369300000000, -0.0000608700000000 ] - [ 0.0008235100000000, -0.0006930400000000, -0.0007174900000000 ] - [ -0.0013973200000000, -0.0001852700000000, 0.0005808100000000 ] - [ -0.0004208000000000, 0.0000340400000000, 0.0001398300000000 ] - [ 0.0004311400000000, 0.0003054500000000, -0.0001619200000000 ] - [ 0.0003922300000000, -0.0002518600000000, -0.0004675000000000 ] - [ -0.0012881900000000, 0.0008016100000000, -0.0013633000000000 ] - [ -0.0000323700000000, 0.0002891500000000, 0.0003393100000000 ] - [ -0.0000659600000000, -0.0003122100000000, 0.0005852900000000 ] - [ -0.0010029100000000, -0.0005612600000000, -0.0003966900000000 ] - [ 0.0029518300000000, 0.0017060300000000, -0.0020401800000000 ] - [ -0.0007078800000000, 0.0010448400000000, 0.0003616400000000 ] - [ -0.0004455700000000, -0.0001202700000000, -0.0000343600000000 ] - [ -0.0003130100000000, -0.0000187900000000, 0.0000703000000000 ] - [ 0.0001847900000000, -0.0001652100000000, 0.0009360800000000 ] - [ 0.0002025500000000, 0.0005849200000000, -0.0005833700000000 ] - [ -0.0004229100000000, -0.0005676800000000, -0.0006473000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003027900000000, 0.0008177100000000, -0.0005189000000000 ] - [ 0.0003313200000000, -0.0000361000000000, -0.0000318000000000 ] - [ 0.0002081700000000, 0.0008371600000000, 0.0000153400000000 ] - [ -0.0000268100000000, -0.0000609900000000, 0.0001340900000000 ] - [ -0.0075235500000000, -0.0044232700000000, 0.0047683800000000 ] - [ -0.0000402700000000, 0.0001126300000000, -0.0007762700000000 ] - [ -0.0019663800000000, 0.0007330000000000, 0.0017064200000000 ] - [ 0.0008791700000000, -0.0021425400000000, 0.0027881000000000 ] - [ 0.0017552300000000, -0.0010069400000000, -0.0010807500000000 ] - [ -0.0005449300000000, 0.0004578300000000, -0.0009355200000000 ] - [ 0.0019548100000000, -0.0007914200000000, 0.0002802800000000 ] - [ -0.0004752000000000, -0.0007128100000000, 0.0009795300000000 ] - [ 0.0006894900000000, 0.0005136200000000, 0.0007385100000000 ] - [ -0.0015154200000000, 0.0006437400000000, 0.0000597300000000 ] - [ 0.0012432300000000, -0.0028529800000000, 0.0010062600000000 ] - [ -0.0001876800000000, 0.0001086000000000, -0.0001649500000000 ] - [ 0.0004825800000000, -0.0003067100000000, -0.0004101500000000 ] - [ -0.0045718500000000, 0.0002359100000000, -0.0005768100000000 ] - [ 0.0001616000000000, 0.0002409800000000, 0.0006944600000000 ] - [ -0.0002764600000000, -0.0001608900000000, 0.0006531000000000 ] - [ -0.0022278800000000, -0.0004604800000000, -0.0001946800000000 ] - [ 0.0115181300000000, 0.0005681600000000, -0.0027538700000000 ] - [ -0.0004067700000000, 0.0005225200000000, 0.0007878400000000 ] - [ -0.0002521100000000, 0.0001165100000000, -0.0002286300000000 ] - [ 0.0067864800000000, 0.0650808400000000, -0.0404421400000000 ] - [ 0.0000410400000000, -0.0001255000000000, 0.0000033000000000 ] - [ 0.0001522000000000, -0.0002645900000000, 0.0000662500000000 ] - [ -0.0001458300000000, 0.0002977200000000, 0.0000382400000000 ] - [ -0.1342057800000000, 0.0808770500000000, -0.2628854200000000 ] - [ 0.0002790000000000, -0.0009580500000000, -0.0007263500000000 ] - [ 0.0000345600000000, 0.0002052100000000, 0.0003333700000000 ] - [ -0.0000293100000000, -0.0001447200000000, 0.0003443700000000 ] - [ -0.0000579700000000, 0.0041205000000000, -0.0185516500000000 ] - [ 0.0003301300000000, 0.0000059600000000, -0.0005334300000000 ] - [ 0.0002435300000000, -0.0000865800000000, -0.0002204100000000 ] - [ 0.0001121500000000, -0.0000164600000000, -0.0001356200000000 ] - [ 0.0001772600000000, 0.0004607300000000, 0.0007800500000000 ] - [ -0.0000232400000000, -0.0006784500000000, 0.0006397700000000 ] - [ -0.0001068700000000, 0.0002054900000000, 0.0004364200000000 ] - [ 0.0000205900000000, -0.0003651700000000, 0.0007839000000000 ] - [ -0.0004953400000000, -0.0010858200000000, 0.0004221300000000 ] - [ 0.0003006300000000, 0.0009157000000000, 0.0011624200000000 ] - [ 0.0001757300000000, -0.0001871500000000, 0.0001778700000000 ] - [ -0.0001577900000000, 0.0001539100000000, 0.0001112600000000 ] - [ 0.0000622100000000, 0.0000016600000000, 0.0006151900000000 ] - [ -0.0001043700000000, -0.0002522500000000, 0.0011461300000000 ] - [ 0.0001121800000000, 0.0002694100000000, -0.0000035200000000 ] - [ -0.0001924500000000, -0.0003170300000000, -0.0000823600000000 ] - [ -0.0004609400000000, -0.0001488300000000, -0.0001325600000000 ] - [ 0.0003517900000000, 0.0001718800000000, 0.0001149400000000 ] - [ 0.0004302300000000, -0.0001333200000000, -0.0003049500000000 ] - [ -0.0008151500000000, 0.0001926400000000, -0.0001958200000000 ] - [ 0.0001039400000000, -0.0004558500000000, -0.0001681700000000 ] - [ -0.0001544400000000, 0.0013631800000000, -0.0012935900000000 ] - [ -0.0007484900000000, 0.0001247800000000, -0.0004452600000000 ] - [ 0.0000773800000000, -0.0001854600000000, 0.0001330800000000 ] - [ 0.0021441600000000, -0.0005294300000000, -0.0022988500000000 ] - [ 0.0000896100000000, 0.0027935600000000, -0.0029587000000000 ] - [ -0.0001531700000000, 0.0003591900000000, 0.0003489200000000 ] - [ 0.0003308100000000, 0.0000475600000000, 0.0003860700000000 ] - [ -0.0011713100000000, 0.0014640000000000, -0.0010180000000000 ] - [ 0.0004986700000000, 0.0006504200000000, -0.0008775800000000 ] - [ -0.0003712900000000, -0.0000468100000000, -0.0001675800000000 ] - [ 0.0005238400000000, -0.0001982800000000, 0.0000932900000000 ] - [ 0.0009309400000000, -0.0004407700000000, -0.0006051200000000 ] - [ -0.0034486900000000, 0.0027316300000000, -0.0022021500000000 ] - [ -0.0017241900000000, -0.0008872200000000, 0.0001163700000000 ] - [ 0.0012409400000000, -0.0005456100000000, 0.0002191900000000 ] - [ 0.0006038100000000, -0.0004660900000000, -0.0009184600000000 ] - [ -0.0007764300000000, 0.0008420200000000, -0.0011180000000000 ] - [ 0.0008119900000000, -0.0002917600000000, 0.0090074900000000 ] - [ -0.0001176500000000, -0.0002114700000000, 0.0006730800000000 ] - [ -0.0009414200000000, -0.0003118300000000, -0.0003294800000000 ] - [ 0.0006733100000000, 0.0007482400000000, -0.0003830800000000 ] - [ 0.0001549500000000, -0.0003759000000000, -0.0002427500000000 ] - [ 0.0006206200000000, -0.0003436200000000, -0.0007580200000000 ] - [ 0.1323007600000000, -0.1674016100000000, 0.3313357100000000 ] - [ 0.0001506400000000, -0.0002362100000000, 0.0003671800000000 ] - [ 0.0002155200000000, 0.0005653600000000, -0.0007276800000000 ] - [ -0.0004616600000000, -0.0005636200000000, -0.0006890600000000 ] - [ -0.0007105800000000, 0.0007998200000000, 0.0004411000000000 ] - [ 0.0042738000000000, 0.0077907200000000, 0.0014734600000000 ] - [ -0.0000849100000000, -0.0000772000000000, -0.0001412600000000 ] - [ 0.0002240900000000, 0.0000961300000000, -0.0001675600000000 ] - [ 0.0020422600000000, 0.0016175300000000, 0.0001724500000000 ] - [ -0.0112140200000000, 0.0124532500000000, -0.0174339000000000 ] - [ 0.0005951500000000, 0.0000260700000000, -0.0001456300000000 ] - [ -0.0000114800000000, -0.0001648100000000, 0.0001065400000000 ] - [ -0.0001472500000000, 0.0001486900000000, 0.0002379400000000 ] - [ 0.0007404000000000, 0.0007349000000000, -0.0010716900000000 ] - [ -0.0002526300000000, -0.0005776100000000, -0.0006172500000000 ] - [ 0.0002428300000000, 0.0002360600000000, -0.0003148300000000 ] - [ -0.0003277700000000, 0.0006749700000000, 0.0005338700000000 ] - [ 0.0012308000000000, -0.0012328100000000, 0.0014379900000000 ] - [ -0.0000322200000000, 0.0001312400000000, -0.0002765000000000 ] - [ 0.0001252500000000, -0.0001107600000000, -0.0005213700000000 ] - [ 0.0002836000000000, 0.0004094700000000, 0.0009848700000000 ] - [ -0.0022218100000000, -0.0015485400000000, 0.0026204300000000 ] - [ 0.0014519700000000, -0.0011938200000000, 0.0002340300000000 ] - [ -0.0002810900000000, 0.0002739100000000, 0.0006212300000000 ] - [ -0.0000461000000000, 0.0012797800000000, -0.0010167700000000 ] - [ 0.0001709200000000, -0.0011002700000000, -0.0018842000000000 ] - [ 0.0001563500000000, 0.0006755900000000, -0.0003589500000000 ] - [ 0.0000634000000000, -0.0006887000000000, -0.0002939600000000 ]