# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/91e8dce6-d9a3-4f8c-a3aa-59993a045efe/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 Sm3Si2S8Br / C2/c (15) / materials id 555527](https://mdr.nims.go.jp/datasets/980a8d08-ba7a-4b5e-ab4f-800c3da95e87) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.690129105000000, -3.778959620000000, 0.035465060000000 ] # a - [ 7.690129105000000, 3.778959620000000, 0.035465060000000 ] # b - [ -1.520163490000000, 0.000000000000000, 10.600903519999999 ] # c points: - symbol: Sm # 1 coordinates: [ 0.075080520000000, 0.320719700000000, 0.183592830000000 ] mass: 150.360000 - symbol: Sm # 2 coordinates: [ 0.384873300000000, 0.615126700000000, 0.250000000000000 ] mass: 150.360000 - symbol: Sm # 3 coordinates: [ 0.615126700000000, 0.384873300000000, 0.750000000000000 ] mass: 150.360000 - symbol: Sm # 4 coordinates: [ 0.924919480000000, 0.679280300000000, 0.816407170000000 ] mass: 150.360000 - symbol: Sm # 5 coordinates: [ 0.320719700000000, 0.075080520000000, 0.683592830000000 ] mass: 150.360000 - symbol: Sm # 6 coordinates: [ 0.679280300000000, 0.924919480000000, 0.316407170000000 ] mass: 150.360000 - symbol: Si # 7 coordinates: [ 0.375080160000000, 0.305905200000000, 0.971930030000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.694094800000000, 0.624919840000000, 0.528069970000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.305905200000000, 0.375080160000000, 0.471930030000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.624919840000000, 0.694094800000000, 0.028069970000000 ] mass: 28.085500 - symbol: S # 11 coordinates: [ 0.726166110000000, 0.402276230000000, 0.044804360000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.549973010000000, 0.743353990000000, 0.833793830000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.858652290000000, 0.714482910000000, 0.085636450000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.714482910000000, 0.858652290000000, 0.585636450000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.101009840000000, 0.608591020000000, 0.354188450000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.285517090000000, 0.141347710000000, 0.414363550000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.743353990000000, 0.549973010000000, 0.333793830000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.608591020000000, 0.101009840000000, 0.854188450000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.256646010000000, 0.450026990000000, 0.666206170000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.597723770000000, 0.273833890000000, 0.455195640000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.450026990000000, 0.256646010000000, 0.166206170000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.141347710000000, 0.285517090000000, 0.914363550000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.391408980000000, 0.898990160000000, 0.145811550000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.273833890000000, 0.597723770000000, 0.955195640000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.402276230000000, 0.726166110000000, 0.544804360000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.898990160000000, 0.391408980000000, 0.645811550000000 ] mass: 32.065000 - symbol: Br # 27 coordinates: [ 0.992810540000000, 0.007189460000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 28 coordinates: [ 0.007189460000000, 0.992810540000000, 0.750000000000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.064975444437380, -0.132311548753728, 0.009317441498631 ] # a* - [ 0.064975444437380, 0.132311548753728, 0.009317441498631 ] # b* - [ -0.000434747478109, 0.000000000000000, 0.094269239491806 ] # c*unit_cell: lattice: - [ 15.380258209999999, 0.000000000000000, 0.070930120000000 ] # a - [ 0.000000000000000, 7.557919240000000, 0.000000000000000 ] # b - [ -1.520163490000000, 0.000000000000000, 10.600903519999999 ] # c points: - symbol: Sm # 1 coordinates: [ 0.197900110000000, 0.122819590000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.500000000000000, 0.115126700000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 3 coordinates: [ 0.500000000000000, 0.884873300000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.302099890000000, 0.377180410000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.197900110000000, 0.877180410000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.302099890000000, 0.622819590000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 6 - symbol: Sm # 7 coordinates: [ 0.697900110000000, 0.622819590000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 8 coordinates: [ 0.000000000000000, 0.615126700000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 9 coordinates: [ 0.000000000000000, 0.384873300000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 10 coordinates: [ 0.802099890000000, 0.877180410000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 11 coordinates: [ 0.697900110000000, 0.377180410000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 12 coordinates: [ 0.802099890000000, 0.122819590000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 6 - symbol: Si # 13 coordinates: [ 0.340492680000000, 0.965412520000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.159507320000000, 0.465412520000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.340492680000000, 0.034587480000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.159507320000000, 0.534587480000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.840492680000000, 0.465412520000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 18 coordinates: [ 0.659507320000000, 0.965412520000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 19 coordinates: [ 0.840492680000000, 0.534587480000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 20 coordinates: [ 0.659507320000000, 0.034587480000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 16 - symbol: S # 21 coordinates: [ 0.064221170000000, 0.338055060000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.146663500000000, 0.596690490000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.286567600000000, 0.427915310000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.286567600000000, 0.572084690000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.354800430000000, 0.253790590000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.213432400000000, 0.927915310000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.146663500000000, 0.403309510000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.354800430000000, 0.746209410000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.353336500000000, 0.096690490000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.435778830000000, 0.838055060000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.353336500000000, 0.903309510000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.213432400000000, 0.072084690000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.145199570000000, 0.753790590000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.435778830000000, 0.161944940000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.064221170000000, 0.661944940000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.145199570000000, 0.246209410000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.564221170000000, 0.838055060000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 38 coordinates: [ 0.646663500000000, 0.096690490000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 39 coordinates: [ 0.786567600000000, 0.927915310000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 40 coordinates: [ 0.786567600000000, 0.072084690000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 41 coordinates: [ 0.854800430000000, 0.753790590000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 42 coordinates: [ 0.713432400000000, 0.427915310000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 43 coordinates: [ 0.646663500000000, 0.903309510000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 44 coordinates: [ 0.854800430000000, 0.246209410000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 45 coordinates: [ 0.853336500000000, 0.596690490000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 46 coordinates: [ 0.935778830000000, 0.338055060000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 47 coordinates: [ 0.853336500000000, 0.403309510000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 48 coordinates: [ 0.713432400000000, 0.572084690000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 49 coordinates: [ 0.645199570000000, 0.253790590000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 50 coordinates: [ 0.935778830000000, 0.661944940000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 51 coordinates: [ 0.564221170000000, 0.161944940000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 52 coordinates: [ 0.645199570000000, 0.746209410000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 36 - symbol: Br # 53 coordinates: [ 0.500000000000000, 0.507189460000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 54 coordinates: [ 0.500000000000000, 0.492810540000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 54 - symbol: Br # 55 coordinates: [ 0.000000000000000, 0.007189460000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 56 coordinates: [ 0.000000000000000, 0.992810540000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 54supercell: lattice: - [ 15.380258209999999, 0.000000000000000, 0.070930120000000 ] # a - [ 0.000000000000000, 15.115838480000001, 0.000000000000000 ] # b - [ -1.520163490000000, 0.000000000000000, 10.600903519999999 ] # c points: - symbol: Sm # 1 coordinates: [ 0.197900110000000, 0.061409795000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.197900110000000, 0.561409795000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 3 coordinates: [ 0.500000000000000, 0.057563350000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.500000000000000, 0.557563350000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 5 coordinates: [ 0.500000000000000, 0.442436650000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.500000000000000, 0.942436650000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 7 coordinates: [ 0.302099890000000, 0.188590205000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.302099890000000, 0.688590205000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 9 coordinates: [ 0.197900110000000, 0.438590205000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 10 coordinates: [ 0.197900110000000, 0.938590205000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 11 coordinates: [ 0.302099890000000, 0.311409795000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 12 coordinates: [ 0.302099890000000, 0.811409795000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 13 coordinates: [ 0.697900110000000, 0.311409795000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 14 coordinates: [ 0.697900110000000, 0.811409795000000, 0.183592830000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 15 coordinates: [ 0.000000000000000, 0.307563350000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 16 coordinates: [ 0.000000000000000, 0.807563350000000, 0.250000000000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 17 coordinates: [ 0.000000000000000, 0.192436650000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 18 coordinates: [ 0.000000000000000, 0.692436650000000, 0.750000000000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 19 coordinates: [ 0.802099890000000, 0.438590205000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 20 coordinates: [ 0.802099890000000, 0.938590205000000, 0.816407170000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 21 coordinates: [ 0.697900110000000, 0.188590205000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 22 coordinates: [ 0.697900110000000, 0.688590205000000, 0.683592830000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 23 coordinates: [ 0.802099890000000, 0.061409795000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 24 coordinates: [ 0.802099890000000, 0.561409795000000, 0.316407170000000 ] mass: 150.360000 reduced_to: 11 - symbol: Si # 25 coordinates: [ 0.340492680000000, 0.482706260000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.340492680000000, 0.982706260000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 27 coordinates: [ 0.159507320000000, 0.232706260000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.159507320000000, 0.732706260000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 29 coordinates: [ 0.340492680000000, 0.017293740000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.340492680000000, 0.517293740000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.159507320000000, 0.267293740000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.159507320000000, 0.767293740000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.840492680000000, 0.232706260000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 34 coordinates: [ 0.840492680000000, 0.732706260000000, 0.971930030000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 35 coordinates: [ 0.659507320000000, 0.482706260000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 36 coordinates: [ 0.659507320000000, 0.982706260000000, 0.528069970000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 37 coordinates: [ 0.840492680000000, 0.267293740000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 38 coordinates: [ 0.840492680000000, 0.767293740000000, 0.471930030000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 39 coordinates: [ 0.659507320000000, 0.017293740000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 40 coordinates: [ 0.659507320000000, 0.517293740000000, 0.028069970000000 ] mass: 28.085500 reduced_to: 31 - symbol: S # 41 coordinates: [ 0.064221170000000, 0.169027530000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.064221170000000, 0.669027530000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.146663500000000, 0.298345245000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.146663500000000, 0.798345245000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 45 coordinates: [ 0.286567600000000, 0.213957655000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.286567600000000, 0.713957655000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.286567600000000, 0.286042345000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.286567600000000, 0.786042345000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 49 coordinates: [ 0.354800430000000, 0.126895295000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.354800430000000, 0.626895295000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.213432400000000, 0.463957655000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.213432400000000, 0.963957655000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 53 coordinates: [ 0.146663500000000, 0.201654755000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.146663500000000, 0.701654755000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 55 coordinates: [ 0.354800430000000, 0.373104705000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.354800430000000, 0.873104705000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 57 coordinates: [ 0.353336500000000, 0.048345245000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.353336500000000, 0.548345245000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.435778830000000, 0.419027530000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.435778830000000, 0.919027530000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 61 coordinates: [ 0.353336500000000, 0.451654755000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.353336500000000, 0.951654755000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.213432400000000, 0.036042345000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.213432400000000, 0.536042345000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 65 coordinates: [ 0.145199570000000, 0.376895295000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.145199570000000, 0.876895295000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 67 coordinates: [ 0.435778830000000, 0.080972470000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.435778830000000, 0.580972470000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.064221170000000, 0.330972470000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.064221170000000, 0.830972470000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 71 coordinates: [ 0.145199570000000, 0.123104705000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.145199570000000, 0.623104705000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 73 coordinates: [ 0.564221170000000, 0.419027530000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.564221170000000, 0.919027530000000, 0.044804360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 75 coordinates: [ 0.646663500000000, 0.048345245000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 76 coordinates: [ 0.646663500000000, 0.548345245000000, 0.833793830000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 77 coordinates: [ 0.786567600000000, 0.463957655000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 78 coordinates: [ 0.786567600000000, 0.963957655000000, 0.085636450000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 79 coordinates: [ 0.786567600000000, 0.036042345000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 80 coordinates: [ 0.786567600000000, 0.536042345000000, 0.585636450000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 81 coordinates: [ 0.854800430000000, 0.376895295000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.854800430000000, 0.876895295000000, 0.354188450000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 83 coordinates: [ 0.713432400000000, 0.213957655000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 84 coordinates: [ 0.713432400000000, 0.713957655000000, 0.414363550000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 85 coordinates: [ 0.646663500000000, 0.451654755000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 86 coordinates: [ 0.646663500000000, 0.951654755000000, 0.333793830000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 87 coordinates: [ 0.854800430000000, 0.123104705000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 88 coordinates: [ 0.854800430000000, 0.623104705000000, 0.854188450000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 89 coordinates: [ 0.853336500000000, 0.298345245000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.853336500000000, 0.798345245000000, 0.666206170000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 91 coordinates: [ 0.935778830000000, 0.169027530000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 92 coordinates: [ 0.935778830000000, 0.669027530000000, 0.455195640000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 93 coordinates: [ 0.853336500000000, 0.201654755000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 94 coordinates: [ 0.853336500000000, 0.701654755000000, 0.166206170000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 95 coordinates: [ 0.713432400000000, 0.286042345000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 96 coordinates: [ 0.713432400000000, 0.786042345000000, 0.914363550000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 97 coordinates: [ 0.645199570000000, 0.126895295000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 98 coordinates: [ 0.645199570000000, 0.626895295000000, 0.145811550000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 99 coordinates: [ 0.935778830000000, 0.330972470000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 100 coordinates: [ 0.935778830000000, 0.830972470000000, 0.955195640000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 101 coordinates: [ 0.564221170000000, 0.080972470000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 102 coordinates: [ 0.564221170000000, 0.580972470000000, 0.544804360000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 103 coordinates: [ 0.645199570000000, 0.373104705000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 104 coordinates: [ 0.645199570000000, 0.873104705000000, 0.645811550000000 ] mass: 32.065000 reduced_to: 71 - symbol: Br # 105 coordinates: [ 0.500000000000000, 0.253594730000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 106 coordinates: [ 0.500000000000000, 0.753594730000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 107 coordinates: [ 0.500000000000000, 0.246405270000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 107 - symbol: Br # 108 coordinates: [ 0.500000000000000, 0.746405270000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 107 - symbol: Br # 109 coordinates: [ 0.000000000000000, 0.003594730000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 110 coordinates: [ 0.000000000000000, 0.503594730000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 105 - symbol: Br # 111 coordinates: [ 0.000000000000000, 0.496405270000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 107 - symbol: Br # 112 coordinates: [ 0.000000000000000, 0.996405270000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 107displacements:- atom: 1 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ -0.0532328000000000, 0.0150933900000000, 0.0044556200000000 ] - [ 0.0016428200000000, 0.0015614800000000, 0.0042754900000000 ] - [ 0.0067701700000000, 0.0013223100000000, 0.0005489600000000 ] - [ 0.0003153900000000, 0.0003297900000000, 0.0000226100000000 ] - [ 0.0003426700000000, -0.0003342900000000, 0.0000318900000000 ] - [ 0.0020022000000000, -0.0010096600000000, 0.0001669600000000 ] - [ -0.0026771500000000, 0.0002189500000000, -0.0064652800000000 ] - [ -0.0029353200000000, -0.0029077200000000, -0.0042430600000000 ] - [ 0.0018318900000000, -0.0021404800000000, 0.0041822600000000 ] - [ 0.0007009800000000, -0.0026961600000000, 0.0035969900000000 ] - [ -0.0054448500000000, 0.0056076400000000, -0.0028566000000000 ] - [ -0.0054542800000000, -0.0028531700000000, -0.0027386000000000 ] - [ 0.0037454600000000, 0.0018894000000000, 0.0043355200000000 ] - [ 0.0037424800000000, 0.0015216400000000, 0.0048141000000000 ] - [ 0.0016165000000000, -0.0017610300000000, -0.0008521700000000 ] - [ -0.0004476300000000, 0.0059768800000000, -0.0002733800000000 ] - [ 0.0000278200000000, -0.0008080100000000, 0.0024955000000000 ] - [ -0.0004539700000000, -0.0006665500000000, 0.0001761400000000 ] - [ -0.0018602600000000, -0.0021384100000000, -0.0041159600000000 ] - [ -0.0015513700000000, -0.0017416200000000, -0.0036918000000000 ] - [ 0.0034754100000000, -0.0012239200000000, 0.0046422300000000 ] - [ 0.0030232300000000, -0.0020012800000000, 0.0042585700000000 ] - [ 0.0023070400000000, 0.0006675500000000, -0.0047309300000000 ] - [ -0.0020836000000000, 0.0017979300000000, -0.0042321600000000 ] - [ -0.0014978900000000, -0.0008763200000000, -0.0004822500000000 ] - [ 0.0022726400000000, -0.0018269800000000, -0.0117020500000000 ] - [ 0.0016538500000000, -0.0006017800000000, -0.0047448400000000 ] - [ 0.0003118500000000, -0.0017197700000000, -0.0000609700000000 ] - [ -0.0032303700000000, -0.0059116600000000, 0.0064514600000000 ] - [ -0.0017490900000000, 0.0011124300000000, -0.0003022500000000 ] - [ -0.0120427800000000, -0.0026917200000000, -0.0005175200000000 ] - [ 0.0003607800000000, 0.0029029700000000, 0.0030836200000000 ] - [ -0.0003254200000000, -0.0013131600000000, 0.0003576300000000 ] - [ -0.0006523900000000, -0.0010070400000000, -0.0001462000000000 ] - [ 0.0015906800000000, -0.0011743900000000, 0.0004215700000000 ] - [ 0.0023696900000000, -0.0015108000000000, 0.0003872200000000 ] - [ -0.0003363800000000, 0.0007801000000000, -0.0001219300000000 ] - [ -0.0013809800000000, 0.0023506900000000, -0.0013925200000000 ] - [ 0.0029395200000000, 0.0009778700000000, 0.0005600200000000 ] - [ 0.0016823600000000, 0.0011612200000000, 0.0003866000000000 ] - [ 0.0144460000000000, -0.0075886200000000, 0.0061873900000000 ] - [ -0.0010615700000000, -0.0024434100000000, -0.0008707900000000 ] - [ 0.0022606500000000, 0.0003339900000000, 0.0010882500000000 ] - [ -0.0000880600000000, -0.0004100300000000, 0.0009155600000000 ] - [ 0.0084166600000000, 0.0057260400000000, -0.0024943100000000 ] - [ -0.0019641700000000, -0.0005569200000000, -0.0017066200000000 ] - [ -0.0020034700000000, 0.0001783000000000, -0.0004873700000000 ] - [ -0.0028185000000000, 0.0007344600000000, -0.0014188100000000 ] - [ 0.0117378400000000, 0.0016137800000000, 0.0025731100000000 ] - [ 0.0039197800000000, -0.0014226300000000, 0.0005762600000000 ] - [ 0.0039380500000000, -0.0004357700000000, 0.0015591300000000 ] - [ 0.0074574500000000, 0.0024010400000000, -0.0028518400000000 ] - [ 0.0039116100000000, -0.0061599800000000, -0.0019030400000000 ] - [ 0.0002534400000000, 0.0006071800000000, 0.0025017300000000 ] - [ 0.0037707100000000, 0.0013911600000000, 0.0008227600000000 ] - [ 0.0035554100000000, 0.0025289200000000, 0.0026353100000000 ] - [ 0.0015028400000000, 0.0000572900000000, -0.0028488800000000 ] - [ 0.0008540800000000, -0.0006315000000000, -0.0015871900000000 ] - [ 0.0013452000000000, -0.0019793800000000, 0.0005197800000000 ] - [ 0.0016427100000000, -0.0006293400000000, -0.0008253200000000 ] - [ 0.0007825000000000, 0.0002766600000000, -0.0015044200000000 ] - [ 0.0134692200000000, -0.0059544400000000, -0.0009068300000000 ] - [ 0.0057435900000000, 0.0002171700000000, 0.0024247600000000 ] - [ 0.0037207700000000, 0.0004336700000000, 0.0016159100000000 ] - [ -0.0013341200000000, -0.0003651400000000, -0.0008241500000000 ] - [ -0.0009060400000000, 0.0023701300000000, -0.0009426400000000 ] - [ 0.0005488400000000, 0.0012065600000000, 0.0019614200000000 ] - [ 0.0013660800000000, 0.0017820500000000, 0.0004698600000000 ] - [ -0.0013722900000000, 0.0020874000000000, 0.0005723800000000 ] - [ -0.0002902400000000, 0.0023141100000000, -0.0001918000000000 ] - [ -0.0033280100000000, 0.0003868500000000, 0.0006645900000000 ] - [ -0.0034697500000000, 0.0017285500000000, -0.0004820000000000 ] - [ -0.0015861000000000, -0.0019147100000000, -0.0005785900000000 ] - [ -0.0027367600000000, -0.0018568500000000, -0.0005252200000000 ] - [ -0.0015507900000000, -0.0008525200000000, 0.0015198600000000 ] - [ -0.0009880500000000, -0.0007112800000000, 0.0016816500000000 ] - [ -0.0037550900000000, -0.0002568600000000, -0.0015727200000000 ] - [ -0.0045686600000000, 0.0000117400000000, -0.0020327300000000 ] - [ -0.0042106300000000, 0.0002027100000000, -0.0015080000000000 ] - [ -0.0036673800000000, 0.0003071900000000, -0.0016365400000000 ] - [ 0.0032654500000000, -0.0013328500000000, 0.0006249700000000 ] - [ 0.0031282800000000, -0.0031034300000000, 0.0013676200000000 ] - [ 0.0028981300000000, -0.0001614800000000, 0.0015923400000000 ] - [ 0.0028303400000000, -0.0009316700000000, 0.0016210500000000 ] - [ -0.0009948700000000, 0.0007369200000000, 0.0016050700000000 ] - [ -0.0018647400000000, 0.0009887800000000, 0.0014809000000000 ] - [ 0.0031890800000000, 0.0015129100000000, 0.0002029000000000 ] - [ 0.0036162300000000, 0.0015119100000000, 0.0004805100000000 ] - [ 0.0001402700000000, -0.0004606900000000, -0.0015084900000000 ] - [ 0.0005555200000000, -0.0008086400000000, -0.0014424400000000 ] - [ 0.0006531500000000, -0.0014975500000000, 0.0003774300000000 ] - [ 0.0013217500000000, -0.0020753100000000, 0.0007777200000000 ] - [ -0.0000817200000000, 0.0010201300000000, -0.0020176800000000 ] - [ 0.0001178400000000, 0.0005201900000000, -0.0019128700000000 ] - [ 0.0030472500000000, 0.0003517900000000, 0.0013750200000000 ] - [ 0.0030624400000000, 0.0003215200000000, 0.0013901400000000 ] - [ -0.0051245700000000, -0.0018857700000000, -0.0005774800000000 ] - [ -0.0040474400000000, -0.0016285000000000, -0.0005965200000000 ] - [ 0.0005515500000000, 0.0023594200000000, 0.0001151900000000 ] - [ 0.0009789000000000, 0.0015867100000000, 0.0001305600000000 ] - [ -0.0022554800000000, 0.0019758200000000, -0.0009961200000000 ] - [ -0.0015799600000000, 0.0018399900000000, -0.0005417600000000 ] - [ -0.0040400400000000, 0.0016699200000000, -0.0006496700000000 ] - [ -0.0044073100000000, 0.0019338900000000, -0.0007469200000000 ] - [ -0.0009635000000000, -0.0035369400000000, 0.0002659200000000 ] - [ -0.0005393200000000, -0.0018401600000000, -0.0000205400000000 ] - [ -0.0003220300000000, 0.0022379600000000, 0.0000895700000000 ] - [ -0.0004164300000000, 0.0031417600000000, 0.0000404900000000 ] - [ -0.0039608100000000, -0.0062127300000000, 0.0012772000000000 ] - [ 0.0003145100000000, -0.0025231000000000, -0.0000900500000000 ] - [ 0.0001172600000000, 0.0028121100000000, -0.0000205600000000 ] - [ 0.0004976600000000, 0.0023931800000000, -0.0002639400000000 ]- atom: 1 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ 0.0574228100000000, -0.0118456100000000, 0.0040996100000000 ] - [ 0.0030453500000000, 0.0019716600000000, 0.0043308300000000 ] - [ -0.0067428300000000, -0.0000315700000000, -0.0005274500000000 ] - [ -0.0003180000000000, 0.0009569600000000, -0.0000225500000000 ] - [ -0.0003445300000000, -0.0009521600000000, -0.0000319300000000 ] - [ -0.0019961400000000, -0.0002766500000000, -0.0001713700000000 ] - [ -0.0020173200000000, -0.0037519300000000, -0.0021342800000000 ] - [ -0.0017580000000000, -0.0006249300000000, -0.0043678700000000 ] - [ 0.0028557900000000, -0.0013855900000000, 0.0044183400000000 ] - [ 0.0040081200000000, -0.0008308000000000, 0.0049858100000000 ] - [ 0.0007475900000000, -0.0020866400000000, -0.0057627200000000 ] - [ 0.0007391900000000, 0.0063786500000000, -0.0058471600000000 ] - [ 0.0009437600000000, 0.0016426800000000, 0.0042698000000000 ] - [ 0.0009452000000000, 0.0020033200000000, 0.0037923100000000 ] - [ -0.0016071300000000, 0.0030516900000000, 0.0008655700000000 ] - [ 0.0004663400000000, -0.0047265200000000, 0.0002676600000000 ] - [ -0.0000318100000000, -0.0004700800000000, -0.0024971700000000 ] - [ 0.0004594700000000, -0.0006231300000000, -0.0001728800000000 ] - [ -0.0028276600000000, -0.0013911700000000, -0.0044871600000000 ] - [ -0.0031396900000000, -0.0017871400000000, -0.0049159900000000 ] - [ 0.0012130800000000, -0.0023042400000000, 0.0039623000000000 ] - [ 0.0016665100000000, -0.0015295600000000, 0.0043465100000000 ] - [ -0.0070145100000000, 0.0028651300000000, -0.0038717700000000 ] - [ -0.0026074200000000, 0.0017298900000000, -0.0043735600000000 ] - [ -0.0010822200000000, -0.0014840700000000, -0.0001959300000000 ] - [ -0.0048423100000000, -0.0005391300000000, 0.0109074300000000 ] - [ 0.0009010400000000, -0.0017448300000000, 0.0053926000000000 ] - [ 0.0022735400000000, -0.0006372500000000, 0.0007387100000000 ] - [ 0.0006041000000000, 0.0082365500000000, -0.0071143600000000 ] - [ -0.0008306600000000, 0.0012458400000000, -0.0003773500000000 ] - [ 0.0146512900000000, 0.0050214700000000, 0.0012196000000000 ] - [ 0.0021861600000000, -0.0005324900000000, -0.0023843200000000 ] - [ -0.0022461900000000, -0.0010377200000000, -0.0010418800000000 ] - [ -0.0019285800000000, -0.0013539000000000, -0.0005330300000000 ] - [ 0.0009891300000000, -0.0011839600000000, 0.0002582400000000 ] - [ 0.0002079700000000, -0.0008424100000000, 0.0002957900000000 ] - [ -0.0022462300000000, 0.0015816600000000, -0.0005571400000000 ] - [ -0.0011975700000000, 0.0000006400000000, 0.0007177700000000 ] - [ -0.0003622600000000, 0.0013815500000000, 0.0001169000000000 ] - [ 0.0008976500000000, 0.0011958500000000, 0.0002916700000000 ] - [ -0.0173754200000000, 0.0041610700000000, -0.0074946600000000 ] - [ -0.0015266100000000, -0.0013021800000000, -0.0001507600000000 ] - [ -0.0036469500000000, -0.0018062000000000, 0.0022829400000000 ] - [ -0.0012869200000000, -0.0010504500000000, 0.0024381900000000 ] - [ -0.0152283000000000, -0.0060766400000000, -0.0007064500000000 ] - [ -0.0049486800000000, -0.0000388700000000, -0.0014174000000000 ] - [ -0.0049083500000000, 0.0004222700000000, -0.0026405800000000 ] - [ -0.0040951900000000, -0.0001380700000000, -0.0016998900000000 ] - [ -0.0038195100000000, -0.0048003100000000, -0.0010938500000000 ] - [ 0.0036249400000000, -0.0019135100000000, 0.0006528500000000 ] - [ 0.0029793300000000, -0.0001700600000000, 0.0015649800000000 ] - [ -0.0005285900000000, -0.0029910900000000, 0.0059968500000000 ] - [ -0.0052655500000000, 0.0077081600000000, 0.0053698600000000 ] - [ -0.0016308500000000, 0.0008504600000000, 0.0008553900000000 ] - [ 0.0037755800000000, 0.0019462200000000, 0.0004020600000000 ] - [ 0.0039902900000000, 0.0008046500000000, -0.0013905500000000 ] - [ -0.0001176000000000, -0.0015047100000000, -0.0005105800000000 ] - [ 0.0005225000000000, -0.0008256400000000, -0.0017683000000000 ] - [ 0.0012408900000000, -0.0017505300000000, 0.0004966800000000 ] - [ 0.0009463400000000, -0.0030963400000000, 0.0018299600000000 ] - [ 0.0005935000000000, 0.0011842600000000, -0.0018499500000000 ] - [ -0.0115600900000000, 0.0070160400000000, -0.0024431700000000 ] - [ 0.0011891200000000, 0.0004068700000000, 0.0007332000000000 ] - [ 0.0031957900000000, 0.0001728600000000, 0.0015090900000000 ] - [ -0.0062121400000000, -0.0029877100000000, -0.0004073700000000 ] - [ -0.0066036300000000, -0.0057494100000000, -0.0002875000000000 ] - [ 0.0020407000000000, 0.0025127300000000, -0.0009315900000000 ] - [ 0.0012192200000000, 0.0019475600000000, 0.0005469000000000 ] - [ -0.0012214800000000, 0.0016537300000000, -0.0015676000000000 ] - [ -0.0023002900000000, 0.0014157500000000, -0.0008297500000000 ] - [ -0.0042172700000000, 0.0029480600000000, -0.0018857400000000 ] - [ -0.0040762700000000, 0.0016076300000000, -0.0007449800000000 ] - [ -0.0009998700000000, -0.0018156000000000, -0.0004378400000000 ] - [ 0.0001500600000000, -0.0018702500000000, -0.0004897400000000 ] - [ 0.0001732700000000, -0.0006051900000000, 0.0018352100000000 ] - [ -0.0003885900000000, -0.0007448700000000, 0.0016725300000000 ] - [ -0.0031617000000000, -0.0003488000000000, -0.0015509800000000 ] - [ -0.0023452000000000, -0.0006178600000000, -0.0010900000000000 ] - [ -0.0027033100000000, 0.0004017900000000, -0.0016166600000000 ] - [ -0.0032491200000000, 0.0002989200000000, -0.0014890200000000 ] - [ 0.0042796900000000, -0.0020052300000000, 0.0006018000000000 ] - [ 0.0044206800000000, -0.0002260700000000, -0.0001419400000000 ] - [ 0.0040196400000000, -0.0004449800000000, 0.0015311300000000 ] - [ 0.0040874600000000, 0.0003286700000000, 0.0015020900000000 ] - [ -0.0003815400000000, 0.0007193900000000, 0.0017490800000000 ] - [ 0.0004879100000000, 0.0004678100000000, 0.0018720800000000 ] - [ 0.0043552600000000, 0.0018199600000000, 0.0010240600000000 ] - [ 0.0039284200000000, 0.0018277600000000, 0.0007479100000000 ] - [ 0.0012373500000000, -0.0009992600000000, -0.0018481100000000 ] - [ 0.0008204000000000, -0.0006467100000000, -0.0019123200000000 ] - [ 0.0019344200000000, -0.0022377100000000, 0.0006374000000000 ] - [ 0.0012626500000000, -0.0016532500000000, 0.0002365500000000 ] - [ 0.0014619700000000, 0.0004280900000000, -0.0013331100000000 ] - [ 0.0012603400000000, 0.0009383900000000, -0.0014408000000000 ] - [ 0.0038692500000000, 0.0002521400000000, 0.0017506400000000 ] - [ 0.0038538900000000, 0.0002849900000000, 0.0017349300000000 ] - [ -0.0024233100000000, -0.0014516500000000, -0.0006464700000000 ] - [ -0.0034982400000000, -0.0017059000000000, -0.0006299100000000 ] - [ 0.0020183600000000, 0.0013838100000000, 0.0008931500000000 ] - [ 0.0016070600000000, 0.0021464000000000, 0.0008886700000000 ] - [ -0.0003249700000000, 0.0017495700000000, -0.0000205100000000 ] - [ -0.0010048800000000, 0.0018900000000000, -0.0004748100000000 ] - [ -0.0035056900000000, 0.0016655500000000, -0.0005781200000000 ] - [ -0.0031386900000000, 0.0014012100000000, -0.0004803300000000 ] - [ 0.0009640500000000, -0.0018601000000000, -0.0002670800000000 ] - [ 0.0005403400000000, -0.0035540200000000, 0.0000201200000000 ] - [ 0.0003226300000000, 0.0031554300000000, -0.0000883400000000 ] - [ 0.0004157000000000, 0.0022548200000000, -0.0000402700000000 ] - [ 0.0037511900000000, 0.0008141900000000, -0.0012467900000000 ] - [ -0.0003129200000000, -0.0028716300000000, 0.0000886000000000 ] - [ -0.0001182000000000, 0.0025832400000000, 0.0000218100000000 ] - [ -0.0004972900000000, 0.0030002700000000, 0.0002674700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0158659000000000, -0.0831831100000000, 0.0092552600000000 ] - [ 0.0021445000000000, 0.0060737700000000, 0.0037879000000000 ] - [ -0.0007869900000000, -0.0031935800000000, -0.0015793800000000 ] - [ 0.0002526000000000, 0.0019051600000000, 0.0000022000000000 ] - [ 0.0006047400000000, -0.0001607600000000, 0.0001505900000000 ] - [ -0.0007447400000000, -0.0009700100000000, -0.0002522200000000 ] - [ -0.0003474100000000, -0.0058663300000000, -0.0075023700000000 ] - [ -0.0034869300000000, 0.0000076600000000, -0.0038628200000000 ] - [ 0.0027244400000000, 0.0014747000000000, 0.0044248500000000 ] - [ 0.0033042700000000, -0.0028696400000000, 0.0024553500000000 ] - [ 0.0022759800000000, 0.0071881700000000, -0.0006057700000000 ] - [ -0.0061492400000000, 0.0071509900000000, -0.0083502500000000 ] - [ 0.0021082900000000, 0.0019074500000000, 0.0040994900000000 ] - [ 0.0024715500000000, 0.0019103900000000, 0.0043512700000000 ] - [ -0.0047018100000000, 0.0037944000000000, -0.0000426900000000 ] - [ 0.0051223800000000, 0.0026279900000000, -0.0018411300000000 ] - [ -0.0017855300000000, -0.0017473400000000, -0.0031547700000000 ] - [ 0.0010668800000000, 0.0005132100000000, 0.0006436100000000 ] - [ -0.0027211300000000, -0.0005679500000000, -0.0045207600000000 ] - [ -0.0023288600000000, -0.0030758100000000, -0.0039444900000000 ] - [ 0.0018078200000000, -0.0023353200000000, 0.0040777700000000 ] - [ 0.0025829100000000, -0.0011723300000000, 0.0044602700000000 ] - [ -0.0012418600000000, -0.0004639500000000, -0.0047860000000000 ] - [ -0.0023845600000000, 0.0031397800000000, -0.0042699900000000 ] - [ -0.0015476100000000, 0.0006543300000000, -0.0007089200000000 ] - [ -0.0033357400000000, -0.0033952800000000, 0.0070070300000000 ] - [ 0.0015212800000000, -0.0006245800000000, 0.0101069100000000 ] - [ 0.0016514000000000, -0.0006513300000000, -0.0008840300000000 ] - [ -0.0082461700000000, -0.0068130200000000, -0.0003497800000000 ] - [ -0.0005299200000000, 0.0026840000000000, -0.0006404500000000 ] - [ -0.0025337700000000, 0.0118117400000000, -0.0054418100000000 ] - [ -0.0019755700000000, 0.0093756600000000, 0.0073936400000000 ] - [ -0.0027721100000000, -0.0013324500000000, -0.0005790200000000 ] - [ -0.0006453300000000, -0.0004079200000000, -0.0001929500000000 ] - [ 0.0014400100000000, -0.0007868100000000, 0.0003902400000000 ] - [ 0.0009889900000000, -0.0017971400000000, -0.0000531400000000 ] - [ -0.0018813200000000, 0.0013717600000000, -0.0004985500000000 ] - [ -0.0009528200000000, 0.0014863200000000, -0.0006362300000000 ] - [ 0.0011982700000000, 0.0000684700000000, 0.0003316000000000 ] - [ 0.0011626100000000, 0.0018122500000000, 0.0004287600000000 ] - [ -0.0073237500000000, 0.0056329000000000, -0.0040529800000000 ] - [ -0.0019104900000000, -0.0053835500000000, -0.0015365600000000 ] - [ -0.0008115100000000, -0.0023574300000000, 0.0043241800000000 ] - [ -0.0003028200000000, -0.0015858500000000, -0.0003997700000000 ] - [ 0.0029305400000000, 0.0086016800000000, -0.0017533000000000 ] - [ -0.0020827100000000, -0.0031122500000000, -0.0022077500000000 ] - [ -0.0042645400000000, -0.0004165700000000, -0.0035178100000000 ] - [ -0.0036404300000000, -0.0001840100000000, -0.0009710400000000 ] - [ 0.0061024200000000, 0.0082260200000000, 0.0017112100000000 ] - [ 0.0038545400000000, -0.0032994400000000, 0.0010730100000000 ] - [ 0.0030698700000000, -0.0016241000000000, 0.0014463000000000 ] - [ 0.0060719600000000, 0.0096571700000000, -0.0070864100000000 ] - [ -0.0089253100000000, 0.0148049100000000, 0.0087740700000000 ] - [ -0.0007123200000000, -0.0006302700000000, 0.0026330900000000 ] - [ 0.0033667400000000, 0.0002596900000000, 0.0007751700000000 ] - [ 0.0040137100000000, 0.0022756300000000, -0.0004418200000000 ] - [ 0.0017769700000000, 0.0011647100000000, -0.0011754500000000 ] - [ 0.0005378400000000, -0.0015924300000000, -0.0018436400000000 ] - [ 0.0008020100000000, -0.0028984900000000, 0.0001014700000000 ] - [ 0.0027652400000000, -0.0003149000000000, 0.0014148000000000 ] - [ 0.0003216600000000, -0.0008264100000000, -0.0013188100000000 ] - [ -0.0039583600000000, 0.0087569700000000, -0.0030613600000000 ] - [ 0.0035399400000000, 0.0043884200000000, 0.0017343100000000 ] - [ 0.0036756800000000, -0.0007948400000000, 0.0014055500000000 ] - [ -0.0036549800000000, -0.0050802000000000, -0.0010552400000000 ] - [ 0.0013546500000000, 0.0095419500000000, 0.0007871600000000 ] - [ 0.0015204500000000, 0.0040174500000000, -0.0000586900000000 ] - [ 0.0014980400000000, 0.0008556000000000, 0.0004738000000000 ] - [ -0.0004096200000000, 0.0004117200000000, -0.0019731500000000 ] - [ -0.0015614000000000, 0.0014143100000000, -0.0003197200000000 ] - [ -0.0038368300000000, 0.0044403600000000, -0.0029400500000000 ] - [ -0.0037193300000000, 0.0001867700000000, -0.0000781900000000 ] - [ -0.0012633900000000, -0.0022296200000000, -0.0004773400000000 ] - [ -0.0008463700000000, -0.0012629300000000, -0.0006353200000000 ] - [ -0.0003636400000000, -0.0001647500000000, 0.0014235600000000 ] - [ -0.0007233700000000, -0.0010875100000000, 0.0016810100000000 ] - [ -0.0033059300000000, -0.0006598500000000, -0.0015954600000000 ] - [ -0.0035637700000000, 0.0001135900000000, -0.0015745300000000 ] - [ -0.0033540600000000, 0.0007196200000000, -0.0014350500000000 ] - [ -0.0035826900000000, -0.0000492100000000, -0.0015024000000000 ] - [ 0.0046069400000000, -0.0020356000000000, 0.0005194000000000 ] - [ 0.0031790400000000, -0.0014948200000000, 0.0008099600000000 ] - [ 0.0037955300000000, 0.0000019000000000, 0.0016873200000000 ] - [ 0.0031679700000000, -0.0006541500000000, 0.0015816500000000 ] - [ -0.0006242800000000, 0.0004401900000000, 0.0016465900000000 ] - [ -0.0006214000000000, 0.0009853400000000, 0.0017925700000000 ] - [ 0.0048725000000000, 0.0023045200000000, 0.0011596900000000 ] - [ 0.0033919100000000, 0.0009412100000000, 0.0002836000000000 ] - [ 0.0012123500000000, -0.0009248800000000, -0.0016413500000000 ] - [ 0.0004894000000000, -0.0006987100000000, -0.0015940500000000 ] - [ 0.0022186400000000, -0.0014950100000000, 0.0006657400000000 ] - [ 0.0008572100000000, -0.0023893200000000, 0.0006611300000000 ] - [ 0.0017479700000000, 0.0012969800000000, -0.0019135300000000 ] - [ -0.0000147900000000, 0.0001500400000000, -0.0017978700000000 ] - [ 0.0037900300000000, 0.0002521900000000, 0.0016566300000000 ] - [ 0.0031828000000000, 0.0002145000000000, 0.0014004200000000 ] - [ -0.0034450600000000, -0.0010413900000000, -0.0005935900000000 ] - [ -0.0038751900000000, -0.0022812200000000, -0.0007659500000000 ] - [ 0.0023427700000000, 0.0013952500000000, 0.0010321100000000 ] - [ 0.0004970700000000, 0.0015025000000000, 0.0000651400000000 ] - [ -0.0012635100000000, 0.0025283900000000, -0.0003499100000000 ] - [ -0.0014840700000000, 0.0013962300000000, -0.0005675900000000 ] - [ -0.0037448400000000, 0.0014305200000000, -0.0005424600000000 ] - [ -0.0036115400000000, 0.0019360600000000, -0.0006017100000000 ] - [ -0.0009018900000000, -0.0019547700000000, -0.0002509800000000 ] - [ 0.0005945600000000, -0.0034193600000000, 0.0000129700000000 ] - [ -0.0002351700000000, 0.0029639800000000, -0.0000382700000000 ] - [ 0.0002181200000000, 0.0024572400000000, -0.0000243200000000 ] - [ -0.0029070300000000, -0.0007277300000000, 0.0004586500000000 ] - [ 0.0003121800000000, -0.0041043900000000, -0.0000532200000000 ] - [ 0.0001498000000000, 0.0016252900000000, -0.0001465300000000 ] - [ -0.0001780400000000, 0.0039406700000000, 0.0000317100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0110230600000000, 0.0865916800000000, -0.0008608600000000 ] - [ 0.0025494200000000, -0.0025478600000000, 0.0048139100000000 ] - [ 0.0007633000000000, 0.0044880900000000, 0.0015923500000000 ] - [ -0.0002471600000000, -0.0006210100000000, -0.0000011300000000 ] - [ -0.0006015300000000, -0.0011246400000000, -0.0001505400000000 ] - [ 0.0007418600000000, -0.0003125000000000, 0.0002509000000000 ] - [ -0.0043469500000000, 0.0023146300000000, -0.0011134400000000 ] - [ -0.0011995100000000, -0.0035363900000000, -0.0047511400000000 ] - [ 0.0019698200000000, -0.0050049500000000, 0.0041779500000000 ] - [ 0.0014212500000000, -0.0006477500000000, 0.0061520800000000 ] - [ -0.0069213200000000, -0.0036221800000000, -0.0079716600000000 ] - [ 0.0015085100000000, -0.0036592800000000, -0.0002039300000000 ] - [ 0.0025872100000000, 0.0016227600000000, 0.0045037600000000 ] - [ 0.0022246900000000, 0.0016257700000000, 0.0042565700000000 ] - [ 0.0046921800000000, -0.0025017100000000, 0.0000464000000000 ] - [ -0.0051685500000000, -0.0013388600000000, 0.0018559900000000 ] - [ 0.0017755600000000, 0.0004729300000000, 0.0031522700000000 ] - [ -0.0010739900000000, -0.0018001400000000, -0.0006453100000000 ] - [ -0.0019747700000000, -0.0029663400000000, -0.0040815000000000 ] - [ -0.0023704400000000, -0.0004507400000000, -0.0046611200000000 ] - [ 0.0028855300000000, -0.0011990300000000, 0.0045253800000000 ] - [ 0.0021121000000000, -0.0023577300000000, 0.0041423700000000 ] - [ -0.0034430000000000, 0.0039854200000000, -0.0038236200000000 ] - [ -0.0023153700000000, 0.0003920700000000, -0.0043344000000000 ] - [ -0.0010258300000000, -0.0030100100000000, 0.0000216200000000 ] - [ 0.0007127700000000, 0.0010734000000000, -0.0077212100000000 ] - [ 0.0010370900000000, -0.0016681300000000, -0.0093792500000000 ] - [ 0.0009288000000000, -0.0016871000000000, 0.0015823000000000 ] - [ 0.0056640300000000, 0.0092166300000000, -0.0003808600000000 ] - [ -0.0020411800000000, -0.0003332300000000, -0.0000424400000000 ] - [ 0.0050683200000000, -0.0093553300000000, 0.0060485800000000 ] - [ 0.0045415200000000, -0.0071344000000000, -0.0067296800000000 ] - [ 0.0001997300000000, -0.0010142100000000, -0.0001073900000000 ] - [ -0.0019346100000000, -0.0019497900000000, -0.0004912000000000 ] - [ 0.0011358300000000, -0.0015672200000000, 0.0002955300000000 ] - [ 0.0015832700000000, -0.0005502400000000, 0.0007394200000000 ] - [ -0.0006965500000000, 0.0009835600000000, -0.0001857300000000 ] - [ -0.0016264200000000, 0.0008743300000000, -0.0000556500000000 ] - [ 0.0013783100000000, 0.0022805300000000, 0.0003541100000000 ] - [ 0.0014132600000000, 0.0005397100000000, 0.0002559900000000 ] - [ 0.0045383100000000, -0.0091857500000000, 0.0028612700000000 ] - [ -0.0006648300000000, 0.0016535300000000, 0.0005193900000000 ] - [ -0.0005639800000000, 0.0008809500000000, -0.0009630100000000 ] - [ -0.0010795700000000, 0.0001306200000000, 0.0037813400000000 ] - [ -0.0095447300000000, -0.0087757500000000, -0.0015454400000000 ] - [ -0.0048498500000000, 0.0025302500000000, -0.0009101700000000 ] - [ -0.0026620200000000, 0.0010178200000000, 0.0003823800000000 ] - [ -0.0032822900000000, 0.0007744100000000, -0.0021470400000000 ] - [ 0.0015622400000000, -0.0114949600000000, -0.0003882400000000 ] - [ 0.0036855400000000, -0.0000450100000000, 0.0001477000000000 ] - [ 0.0038518700000000, 0.0010156100000000, 0.0016752100000000 ] - [ 0.0008414200000000, -0.0103854200000000, 0.0105175000000000 ] - [ 0.0072842900000000, -0.0129349400000000, -0.0049923300000000 ] - [ -0.0006606600000000, 0.0021076400000000, 0.0007033300000000 ] - [ 0.0041735700000000, 0.0030864000000000, 0.0004408500000000 ] - [ 0.0035302000000000, 0.0010587200000000, 0.0016628100000000 ] - [ -0.0004068500000000, -0.0026280300000000, -0.0021802300000000 ] - [ 0.0008363400000000, 0.0001293200000000, -0.0015107500000000 ] - [ 0.0017713200000000, -0.0008236200000000, 0.0009122900000000 ] - [ -0.0001894100000000, -0.0034117900000000, -0.0004049900000000 ] - [ 0.0010502600000000, 0.0022866600000000, -0.0020324700000000 ] - [ 0.0055441900000000, -0.0074555000000000, -0.0002819600000000 ] - [ 0.0034138000000000, -0.0038119600000000, 0.0013172900000000 ] - [ 0.0032466600000000, 0.0014039000000000, 0.0017205300000000 ] - [ -0.0038860600000000, 0.0017328800000000, -0.0001601600000000 ] - [ -0.0090987500000000, -0.0136686400000000, -0.0022052900000000 ] - [ 0.0010586000000000, -0.0002889700000000, 0.0010838800000000 ] - [ 0.0010734800000000, 0.0028691700000000, 0.0005409200000000 ] - [ -0.0021742000000000, 0.0033204900000000, 0.0009832400000000 ] - [ -0.0010163200000000, 0.0023005600000000, -0.0006968700000000 ] - [ -0.0036978200000000, -0.0010905800000000, 0.0016968500000000 ] - [ -0.0038207900000000, 0.0031609200000000, -0.0011437200000000 ] - [ -0.0013136900000000, -0.0014923100000000, -0.0005369800000000 ] - [ -0.0017297600000000, -0.0024597700000000, -0.0003810800000000 ] - [ -0.0010118100000000, -0.0012982900000000, 0.0019275200000000 ] - [ -0.0006527100000000, -0.0003748300000000, 0.0016706000000000 ] - [ -0.0036187700000000, 0.0000537300000000, -0.0015276900000000 ] - [ -0.0033627900000000, -0.0007190600000000, -0.0015512900000000 ] - [ -0.0035675300000000, -0.0001130400000000, -0.0016863900000000 ] - [ -0.0033414100000000, 0.0006561200000000, -0.0016214100000000 ] - [ 0.0029364800000000, -0.0013093400000000, 0.0006984000000000 ] - [ 0.0043625400000000, -0.0018653600000000, 0.0004155900000000 ] - [ 0.0031305900000000, -0.0006072500000000, 0.0014363100000000 ] - [ 0.0037559500000000, 0.0000437300000000, 0.0015429800000000 ] - [ -0.0007513900000000, 0.0010227100000000, 0.0017054500000000 ] - [ -0.0007532000000000, 0.0004764800000000, 0.0015601200000000 ] - [ 0.0026735500000000, 0.0010401800000000, 0.0000614400000000 ] - [ 0.0041504100000000, 0.0024065400000000, 0.0009373700000000 ] - [ 0.0001644300000000, -0.0005400600000000, -0.0017104100000000 ] - [ 0.0008873700000000, -0.0007653200000000, -0.0017550800000000 ] - [ 0.0003643500000000, -0.0022290500000000, 0.0003454100000000 ] - [ 0.0017207300000000, -0.0013347300000000, 0.0003498100000000 ] - [ -0.0003677100000000, 0.0001649200000000, -0.0014377000000000 ] - [ 0.0013952200000000, 0.0013150300000000, -0.0015523500000000 ] - [ 0.0031340100000000, 0.0003542600000000, 0.0014663000000000 ] - [ 0.0037447000000000, 0.0003920100000000, 0.0017229300000000 ] - [ -0.0040960800000000, -0.0023022400000000, -0.0006245200000000 ] - [ -0.0036660300000000, -0.0010636300000000, -0.0004531400000000 ] - [ 0.0002193500000000, 0.0023404200000000, -0.0000255700000000 ] - [ 0.0020882800000000, 0.0022234000000000, 0.0009521300000000 ] - [ -0.0013065400000000, 0.0011894600000000, -0.0006625800000000 ] - [ -0.0010925400000000, 0.0023254600000000, -0.0004461600000000 ] - [ -0.0037969200000000, 0.0019153700000000, -0.0006779600000000 ] - [ -0.0039285400000000, 0.0014060900000000, -0.0006174200000000 ] - [ 0.0009007100000000, -0.0034352300000000, 0.0002430700000000 ] - [ -0.0005977100000000, -0.0019775300000000, -0.0000130100000000 ] - [ 0.0002336500000000, 0.0024318300000000, 0.0000393800000000 ] - [ -0.0002167700000000, 0.0029352200000000, 0.0000239800000000 ] - [ 0.0028416400000000, -0.0047010700000000, -0.0004466000000000 ] - [ -0.0003082900000000, -0.0012896800000000, 0.0000511300000000 ] - [ -0.0001485300000000, 0.0037701900000000, 0.0001475700000000 ] - [ 0.0001766700000000, 0.0014549500000000, -0.0000296800000000 ]- atom: 1 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0106306800000000, 0.0048478500000000, -0.0704540600000000 ] - [ 0.0024144500000000, 0.0012895900000000, 0.0040657900000000 ] - [ 0.0010721500000000, -0.0009170900000000, -0.0026698600000000 ] - [ -0.0000472000000000, 0.0006191400000000, -0.0001242400000000 ] - [ -0.0000930400000000, -0.0007008600000000, 0.0001711300000000 ] - [ -0.0006780400000000, -0.0008771100000000, 0.0012255200000000 ] - [ -0.0044544900000000, -0.0051885300000000, -0.0001411700000000 ] - [ -0.0022023900000000, -0.0011675900000000, -0.0035317700000000 ] - [ 0.0022920600000000, -0.0018338900000000, 0.0051077000000000 ] - [ 0.0018591900000000, 0.0001879400000000, 0.0135267900000000 ] - [ -0.0003459900000000, 0.0052495000000000, -0.0079769600000000 ] - [ -0.0004396400000000, -0.0012379700000000, -0.0080126800000000 ] - [ 0.0026514800000000, 0.0017952500000000, 0.0041332600000000 ] - [ 0.0021778500000000, 0.0015980200000000, 0.0040668700000000 ] - [ -0.0011716400000000, 0.0009743800000000, -0.0031768300000000 ] - [ 0.0008346600000000, -0.0010875400000000, -0.0005776600000000 ] - [ 0.0004203700000000, -0.0014737200000000, 0.0020639400000000 ] - [ 0.0000601900000000, -0.0007286000000000, 0.0003474600000000 ] - [ -0.0022266100000000, -0.0019296800000000, -0.0040501200000000 ] - [ -0.0018500600000000, -0.0014138700000000, -0.0043462400000000 ] - [ 0.0025169900000000, -0.0016190700000000, 0.0047295800000000 ] - [ 0.0022041400000000, -0.0018899700000000, 0.0043859900000000 ] - [ -0.0034239500000000, 0.0023929700000000, -0.0040498300000000 ] - [ -0.0023092900000000, 0.0017286000000000, -0.0043575900000000 ] - [ -0.0012834800000000, -0.0015468700000000, -0.0004830200000000 ] - [ -0.0136436100000000, 0.0053852800000000, -0.0019392700000000 ] - [ 0.0003918800000000, -0.0001755800000000, 0.0080376500000000 ] - [ 0.0008876400000000, -0.0022217900000000, -0.0000025000000000 ] - [ 0.0085671400000000, 0.0018751000000000, 0.0085202000000000 ] - [ -0.0013117400000000, 0.0012263300000000, -0.0001389700000000 ] - [ 0.0019086000000000, -0.0061688300000000, 0.0024607200000000 ] - [ 0.0016152900000000, 0.0022778300000000, 0.0010102600000000 ] - [ -0.0003656400000000, -0.0011903200000000, -0.0005267600000000 ] - [ -0.0012127700000000, -0.0011456000000000, -0.0003950800000000 ] - [ 0.0013040300000000, -0.0012165500000000, 0.0004271200000000 ] - [ 0.0017744400000000, -0.0013116300000000, 0.0004035200000000 ] - [ -0.0015900400000000, 0.0016026900000000, -0.0002602100000000 ] - [ -0.0012979800000000, 0.0008333000000000, -0.0000374300000000 ] - [ 0.0006864900000000, 0.0013554400000000, 0.0000703000000000 ] - [ 0.0013571800000000, 0.0011327100000000, 0.0003051400000000 ] - [ 0.0036782100000000, -0.0043119000000000, 0.0085926700000000 ] - [ -0.0013920500000000, -0.0017838700000000, -0.0004724100000000 ] - [ -0.0005316400000000, 0.0004618100000000, 0.0003911500000000 ] - [ -0.0009184100000000, -0.0013034400000000, 0.0017741500000000 ] - [ -0.0074855100000000, -0.0028010200000000, 0.0038674800000000 ] - [ -0.0033842900000000, -0.0004403300000000, -0.0012217500000000 ] - [ -0.0037586300000000, -0.0000284900000000, -0.0035294300000000 ] - [ -0.0033100500000000, 0.0014897600000000, -0.0030466700000000 ] - [ 0.0038877800000000, -0.0005167000000000, 0.0063660200000000 ] - [ 0.0037382200000000, -0.0014027700000000, 0.0005764700000000 ] - [ 0.0034377100000000, -0.0004819200000000, 0.0014998000000000 ] - [ -0.0012352100000000, -0.0087927900000000, 0.0188814300000000 ] - [ -0.0058781800000000, 0.0093826900000000, 0.0091241800000000 ] - [ -0.0007234100000000, 0.0007476300000000, 0.0023647000000000 ] - [ 0.0038926600000000, 0.0020647100000000, 0.0005965900000000 ] - [ 0.0054000600000000, -0.0001330200000000, -0.0000435700000000 ] - [ 0.0000703700000000, -0.0016337600000000, -0.0051073300000000 ] - [ 0.0006791200000000, -0.0006851400000000, -0.0018321600000000 ] - [ 0.0012867700000000, -0.0019833200000000, 0.0004026400000000 ] - [ -0.0010988100000000, -0.0010823900000000, 0.0004916300000000 ] - [ 0.0008012800000000, 0.0009537500000000, -0.0013541200000000 ] - [ -0.0008606400000000, 0.0006891500000000, 0.0044769900000000 ] - [ 0.0056073300000000, 0.0005966500000000, 0.0119154200000000 ] - [ 0.0033901100000000, 0.0003627600000000, 0.0015610800000000 ] - [ -0.0041151100000000, -0.0002060300000000, 0.0012541600000000 ] - [ -0.0046438400000000, -0.0010477500000000, 0.0007223800000000 ] - [ 0.0038529300000000, 0.0017509500000000, 0.0004884000000000 ] - [ 0.0013148900000000, 0.0019461000000000, 0.0005117600000000 ] - [ -0.0007428200000000, 0.0012699400000000, -0.0022521500000000 ] - [ -0.0011221900000000, 0.0023969600000000, -0.0012911800000000 ] - [ -0.0031232600000000, 0.0022994100000000, -0.0031377000000000 ] - [ -0.0037112700000000, 0.0018643700000000, -0.0007575300000000 ] - [ -0.0013376000000000, -0.0018945800000000, -0.0004926600000000 ] - [ -0.0008778400000000, -0.0019035900000000, -0.0003100100000000 ] - [ -0.0004747300000000, -0.0008027800000000, 0.0017190600000000 ] - [ -0.0007170600000000, -0.0007176500000000, 0.0017379500000000 ] - [ -0.0034949100000000, -0.0002808000000000, -0.0015121300000000 ] - [ -0.0031311600000000, -0.0004115800000000, -0.0013103700000000 ] - [ -0.0036728800000000, 0.0002664500000000, -0.0017801000000000 ] - [ -0.0034412200000000, 0.0003536100000000, -0.0016883900000000 ] - [ 0.0038335700000000, -0.0017343900000000, 0.0004960700000000 ] - [ 0.0036608400000000, -0.0012074200000000, 0.0004556200000000 ] - [ 0.0035774400000000, -0.0004656100000000, 0.0015720300000000 ] - [ 0.0035641900000000, -0.0001163500000000, 0.0015348700000000 ] - [ -0.0006857600000000, 0.0006807100000000, 0.0016469900000000 ] - [ -0.0009216500000000, 0.0008116800000000, 0.0016356400000000 ] - [ 0.0033683500000000, 0.0016539900000000, 0.0003999800000000 ] - [ 0.0037866700000000, 0.0017111700000000, 0.0006395900000000 ] - [ 0.0007522600000000, -0.0008161400000000, -0.0019498700000000 ] - [ 0.0007099600000000, -0.0007067500000000, -0.0018495200000000 ] - [ 0.0016668800000000, -0.0020927900000000, 0.0003024900000000 ] - [ 0.0013210600000000, -0.0017755300000000, 0.0004875500000000 ] - [ 0.0002397500000000, 0.0006614700000000, -0.0012010400000000 ] - [ 0.0007156500000000, 0.0007380000000000, -0.0016176600000000 ] - [ 0.0033031900000000, 0.0003065700000000, 0.0015844500000000 ] - [ 0.0034032300000000, 0.0003097500000000, 0.0015969400000000 ] - [ -0.0036561600000000, -0.0018197700000000, -0.0004008900000000 ] - [ -0.0037931400000000, -0.0015814600000000, -0.0005653500000000 ] - [ 0.0005076100000000, 0.0024210900000000, 0.0001672600000000 ] - [ 0.0012498800000000, 0.0019154100000000, 0.0006009600000000 ] - [ -0.0017036000000000, 0.0020148000000000, -0.0007604700000000 ] - [ -0.0012830600000000, 0.0018623900000000, -0.0005433300000000 ] - [ -0.0037853800000000, 0.0016817100000000, -0.0006922300000000 ] - [ -0.0039167500000000, 0.0017725900000000, -0.0008530900000000 ] - [ -0.0006232900000000, -0.0032133700000000, 0.0006778900000000 ] - [ -0.0000868300000000, -0.0027999700000000, 0.0001172700000000 ] - [ 0.0001916100000000, 0.0027280200000000, -0.0001699700000000 ] - [ 0.0004861300000000, 0.0024804300000000, -0.0002691600000000 ] - [ 0.0014898300000000, -0.0017576300000000, 0.0014063700000000 ] - [ -0.0003195400000000, -0.0026967700000000, 0.0001165700000000 ] - [ 0.0000739300000000, 0.0027350200000000, -0.0000986700000000 ] - [ -0.0006608900000000, 0.0027187900000000, -0.0004504100000000 ]- atom: 1 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ -0.0061221800000000, -0.0013517900000000, 0.0788411500000000 ] - [ 0.0022681900000000, 0.0022461700000000, 0.0045334900000000 ] - [ -0.0010841900000000, 0.0021969500000000, 0.0026698500000000 ] - [ 0.0000471000000000, 0.0006755800000000, 0.0001239000000000 ] - [ 0.0000922300000000, -0.0005908400000000, -0.0001704800000000 ] - [ 0.0006936600000000, -0.0004173400000000, -0.0012254200000000 ] - [ -0.0002224300000000, 0.0017053400000000, -0.0084613500000000 ] - [ -0.0024862700000000, -0.0023702200000000, -0.0050696700000000 ] - [ 0.0023878000000000, -0.0016949400000000, 0.0034958400000000 ] - [ 0.0028496700000000, -0.0037374000000000, -0.0049477100000000 ] - [ -0.0043359300000000, -0.0017286900000000, -0.0006368600000000 ] - [ -0.0042294000000000, 0.0047463000000000, -0.0006436200000000 ] - [ 0.0020359100000000, 0.0017346600000000, 0.0044703600000000 ] - [ 0.0025086100000000, 0.0019284700000000, 0.0045399700000000 ] - [ 0.0011587700000000, 0.0003320000000000, 0.0031858500000000 ] - [ -0.0008270500000000, 0.0023860300000000, 0.0005635600000000 ] - [ -0.0004349500000000, 0.0002032800000000, -0.0020523300000000 ] - [ -0.0000643600000000, -0.0005698600000000, -0.0003405400000000 ] - [ -0.0024544300000000, -0.0015990400000000, -0.0045509200000000 ] - [ -0.0028367600000000, -0.0021156300000000, -0.0042544900000000 ] - [ 0.0021689000000000, -0.0019075000000000, 0.0038752800000000 ] - [ 0.0024844900000000, -0.0016405600000000, 0.0042178800000000 ] - [ -0.0012478300000000, 0.0011264200000000, -0.0045552500000000 ] - [ -0.0023755900000000, 0.0018005600000000, -0.0042473900000000 ] - [ -0.0013015900000000, -0.0008182200000000, -0.0001893800000000 ] - [ 0.0111941900000000, -0.0078278000000000, 0.0013438400000000 ] - [ 0.0021763400000000, -0.0021189300000000, -0.0073704900000000 ] - [ 0.0016969000000000, -0.0001504900000000, 0.0006723500000000 ] - [ -0.0110308700000000, 0.0005291100000000, -0.0091471400000000 ] - [ -0.0012723600000000, 0.0011386500000000, -0.0005339800000000 ] - [ 0.0006842900000000, 0.0085339500000000, -0.0017827300000000 ] - [ 0.0009409900000000, 0.0000974700000000, -0.0002771800000000 ] - [ -0.0022107200000000, -0.0011669400000000, -0.0001471500000000 ] - [ -0.0013692600000000, -0.0012191000000000, -0.0002771800000000 ] - [ 0.0012812600000000, -0.0011470800000000, 0.0002466400000000 ] - [ 0.0008120600000000, -0.0010496300000000, 0.0002692600000000 ] - [ -0.0009939900000000, 0.0007632300000000, -0.0004105600000000 ] - [ -0.0012876800000000, 0.0015343700000000, -0.0006419700000000 ] - [ 0.0019007500000000, 0.0010021600000000, 0.0006037200000000 ] - [ 0.0012281300000000, 0.0012315900000000, 0.0003689200000000 ] - [ -0.0064112500000000, 0.0006829400000000, -0.0097196700000000 ] - [ -0.0012070100000000, -0.0019764000000000, -0.0005581200000000 ] - [ -0.0008480900000000, -0.0019215600000000, 0.0029595600000000 ] - [ -0.0004537600000000, -0.0001344800000000, 0.0015772700000000 ] - [ 0.0006658300000000, 0.0023479500000000, -0.0070686000000000 ] - [ -0.0035137800000000, -0.0001721100000000, -0.0019061900000000 ] - [ -0.0031448300000000, 0.0006223800000000, 0.0004087700000000 ] - [ -0.0035952700000000, -0.0008863900000000, -0.0000799300000000 ] - [ 0.0037989300000000, -0.0027654500000000, -0.0049714900000000 ] - [ 0.0038127100000000, -0.0019216400000000, 0.0006601200000000 ] - [ 0.0034703400000000, -0.0001245400000000, 0.0016261000000000 ] - [ 0.0080539700000000, 0.0077137700000000, -0.0149447400000000 ] - [ 0.0043498200000000, -0.0075734600000000, -0.0055175900000000 ] - [ -0.0006516600000000, 0.0007090900000000, 0.0009996400000000 ] - [ 0.0036595600000000, 0.0012600200000000, 0.0006329700000000 ] - [ 0.0021279100000000, 0.0034802900000000, 0.0012808200000000 ] - [ 0.0012848700000000, 0.0001825100000000, 0.0017438500000000 ] - [ 0.0006983900000000, -0.0007631600000000, -0.0015252100000000 ] - [ 0.0013077900000000, -0.0017550600000000, 0.0006167500000000 ] - [ 0.0036683100000000, -0.0026545800000000, 0.0005214000000000 ] - [ 0.0005769800000000, 0.0004964200000000, -0.0020018800000000 ] - [ 0.0022996300000000, 0.0007324400000000, -0.0078481600000000 ] - [ 0.0014363500000000, -0.0001130000000000, -0.0096554500000000 ] - [ 0.0035180400000000, 0.0002415500000000, 0.0015650400000000 ] - [ -0.0034392400000000, -0.0031348800000000, -0.0024801300000000 ] - [ -0.0028842700000000, -0.0022924000000000, -0.0020077800000000 ] - [ -0.0012856100000000, 0.0019833800000000, 0.0005122100000000 ] - [ 0.0012813000000000, 0.0017903300000000, 0.0005066600000000 ] - [ -0.0018642000000000, 0.0024759200000000, 0.0012546200000000 ] - [ -0.0014691700000000, 0.0013505400000000, 0.0002647700000000 ] - [ -0.0044190500000000, 0.0010071000000000, 0.0019017000000000 ] - [ -0.0038387300000000, 0.0014655000000000, -0.0004781500000000 ] - [ -0.0012588000000000, -0.0018432900000000, -0.0005275300000000 ] - [ -0.0017153800000000, -0.0018289600000000, -0.0007139000000000 ] - [ -0.0009056400000000, -0.0006460700000000, 0.0016357800000000 ] - [ -0.0006619200000000, -0.0007310800000000, 0.0016184200000000 ] - [ -0.0034141700000000, -0.0003239400000000, -0.0016137400000000 ] - [ -0.0037761100000000, -0.0001914300000000, -0.0018163200000000 ] - [ -0.0032339100000000, 0.0003377200000000, -0.0013445800000000 ] - [ -0.0034672800000000, 0.0002509700000000, -0.0014388200000000 ] - [ 0.0037189300000000, -0.0015931000000000, 0.0007394600000000 ] - [ 0.0038859200000000, -0.0021250000000000, 0.0007863700000000 ] - [ 0.0033309300000000, -0.0001383900000000, 0.0015542200000000 ] - [ 0.0033412200000000, -0.0004905900000000, 0.0015917900000000 ] - [ -0.0006921000000000, 0.0007685900000000, 0.0017099500000000 ] - [ -0.0004588900000000, 0.0006376400000000, 0.0017217700000000 ] - [ 0.0041804300000000, 0.0016694400000000, 0.0008348000000000 ] - [ 0.0037636100000000, 0.0016161800000000, 0.0005961100000000 ] - [ 0.0006251000000000, -0.0006349900000000, -0.0014074100000000 ] - [ 0.0006677500000000, -0.0007414700000000, -0.0015058400000000 ] - [ 0.0009317500000000, -0.0016457500000000, 0.0007157000000000 ] - [ 0.0012755900000000, -0.0019622300000000, 0.0005341300000000 ] - [ 0.0011406400000000, 0.0007866600000000, -0.0021549000000000 ] - [ 0.0006602100000000, 0.0007113000000000, -0.0017402300000000 ] - [ 0.0036034300000000, 0.0002958900000000, 0.0015421400000000 ] - [ 0.0035036800000000, 0.0002953100000000, 0.0015285000000000 ] - [ -0.0038976600000000, -0.0015063700000000, -0.0008382700000000 ] - [ -0.0037584500000000, -0.0017449300000000, -0.0006713800000000 ] - [ 0.0020714300000000, 0.0013294600000000, 0.0008459800000000 ] - [ 0.0013442100000000, 0.0018221700000000, 0.0004171700000000 ] - [ -0.0008919000000000, 0.0017189300000000, -0.0002594200000000 ] - [ -0.0013138600000000, 0.0018750200000000, -0.0004760700000000 ] - [ -0.0037660100000000, 0.0016440700000000, -0.0005452100000000 ] - [ -0.0036373100000000, 0.0015536200000000, -0.0003843600000000 ] - [ 0.0006155600000000, -0.0021839600000000, -0.0006765400000000 ] - [ 0.0000861600000000, -0.0025969400000000, -0.0001156700000000 ] - [ -0.0001943900000000, 0.0026634000000000, 0.0001710400000000 ] - [ -0.0004946600000000, 0.0029192600000000, 0.0002721300000000 ] - [ -0.0015361400000000, -0.0036456700000000, -0.0013789100000000 ] - [ 0.0003202600000000, -0.0026991500000000, -0.0001168700000000 ] - [ -0.0000738400000000, 0.0026605000000000, 0.0000985000000000 ] - [ 0.0006743700000000, 0.0026738200000000, 0.0004547700000000 ]- atom: 3 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0090738300000000, 0.0009785800000000, 0.0063432500000000 ] - [ 0.0026621700000000, 0.0020145700000000, 0.0042986900000000 ] - [ -0.1020726600000000, 0.0008456400000000, 0.0011635100000000 ] - [ -0.0013451400000000, 0.0006424500000000, -0.0000675200000000 ] - [ -0.0013280500000000, -0.0006476700000000, -0.0002016300000000 ] - [ -0.0074683300000000, -0.0006427700000000, -0.0031614900000000 ] - [ -0.0022962600000000, -0.0035638000000000, -0.0038545800000000 ] - [ -0.0027990400000000, -0.0006930800000000, -0.0043033400000000 ] - [ 0.0026883100000000, -0.0023657000000000, 0.0042587100000000 ] - [ 0.0043436300000000, -0.0010219800000000, 0.0039023500000000 ] - [ -0.0027939900000000, -0.0033623900000000, -0.0035300900000000 ] - [ -0.0007341000000000, 0.0064607900000000, -0.0052573000000000 ] - [ 0.0018702400000000, 0.0069114000000000, 0.0050709600000000 ] - [ 0.0039584600000000, -0.0029334200000000, 0.0033357200000000 ] - [ 0.0028140000000000, 0.0006472500000000, 0.0003125100000000 ] - [ 0.0028152100000000, 0.0006480500000000, 0.0000586200000000 ] - [ 0.0025766000000000, -0.0006480900000000, 0.0006405200000000 ] - [ 0.0018158700000000, -0.0006484300000000, 0.0000326900000000 ] - [ -0.0020002300000000, -0.0011580600000000, -0.0043456700000000 ] - [ -0.0003401400000000, -0.0025108300000000, -0.0047025400000000 ] - [ 0.0023745700000000, 0.0000262700000000, 0.0047489800000000 ] - [ 0.0018869900000000, -0.0028399300000000, 0.0043018400000000 ] - [ 0.0044251800000000, 0.0025435100000000, -0.0022541000000000 ] - [ -0.0020281600000000, 0.0015148700000000, -0.0043046400000000 ] - [ -0.0015169800000000, -0.0014507700000000, -0.0003774600000000 ] - [ -0.0021726800000000, -0.0026885300000000, 0.0096013700000000 ] - [ 0.0024389000000000, -0.0019409000000000, -0.0004489700000000 ] - [ 0.0024672100000000, -0.0008155100000000, 0.0003943800000000 ] - [ 0.0032151700000000, 0.0078775200000000, -0.0081698200000000 ] - [ -0.0016186000000000, 0.0012983000000000, -0.0006184600000000 ] - [ 0.0036498900000000, 0.0004501800000000, 0.0008633900000000 ] - [ 0.0019804000000000, 0.0022794300000000, 0.0010851500000000 ] - [ -0.0001486300000000, -0.0004249100000000, -0.0011236600000000 ] - [ -0.0001207400000000, -0.0015518200000000, -0.0002818200000000 ] - [ 0.0010666900000000, -0.0009149900000000, 0.0002896500000000 ] - [ 0.0003844500000000, 0.0003527200000000, 0.0103257200000000 ] - [ 0.0010813300000000, 0.0019192900000000, 0.0001945800000000 ] - [ -0.0006043000000000, 0.0000890000000000, 0.0004096800000000 ] - [ 0.0058207000000000, -0.0055938300000000, -0.0075783700000000 ] - [ 0.0009584700000000, 0.0010635900000000, 0.0000518200000000 ] - [ -0.0025857200000000, -0.0012207600000000, -0.0012184700000000 ] - [ -0.0020093600000000, -0.0021272800000000, -0.0007646300000000 ] - [ -0.0014902500000000, -0.0004317200000000, 0.0011067400000000 ] - [ -0.0011254500000000, -0.0011420000000000, 0.0016123300000000 ] - [ -0.0046949300000000, 0.0003876500000000, -0.0021500100000000 ] - [ -0.0038199000000000, -0.0011968900000000, -0.0019495200000000 ] - [ -0.0041752400000000, 0.0010123300000000, -0.0009019800000000 ] - [ -0.0044270700000000, -0.0003603500000000, -0.0013354800000000 ] - [ 0.0219357100000000, -0.0121068700000000, -0.0085279000000000 ] - [ 0.0041363200000000, -0.0021188400000000, 0.0006846800000000 ] - [ 0.0034638100000000, 0.0000737000000000, 0.0017303100000000 ] - [ 0.0016863400000000, -0.0020266300000000, 0.0026550900000000 ] - [ -0.0022484700000000, 0.0019544500000000, 0.0019954100000000 ] - [ -0.0014962900000000, 0.0003962200000000, 0.0015489900000000 ] - [ 0.0041220900000000, 0.0020978400000000, 0.0006582600000000 ] - [ 0.0050731600000000, 0.0004961300000000, -0.0016510300000000 ] - [ 0.0007278300000000, -0.0012934600000000, 0.0008810400000000 ] - [ 0.0010147900000000, -0.0008486600000000, -0.0016748400000000 ] - [ 0.0019259100000000, -0.0017648300000000, 0.0007300300000000 ] - [ 0.0017318800000000, -0.0051339100000000, 0.0051975200000000 ] - [ 0.0012000200000000, 0.0009133200000000, -0.0018647100000000 ] - [ 0.0196468300000000, 0.0150130400000000, 0.0039798100000000 ] - [ 0.0029823800000000, 0.0009988800000000, -0.0003115800000000 ] - [ 0.0035627700000000, 0.0001194500000000, 0.0015066100000000 ] - [ -0.0046477400000000, -0.0009884900000000, -0.0005187800000000 ] - [ -0.0050850000000000, -0.0027901300000000, -0.0009474300000000 ] - [ 0.0042525700000000, 0.0018486500000000, -0.0021895100000000 ] - [ 0.0018054100000000, 0.0018390500000000, 0.0006115300000000 ] - [ -0.0022028800000000, 0.0020890500000000, -0.0006722500000000 ] - [ -0.0023152200000000, 0.0014730500000000, -0.0005988700000000 ] - [ -0.0044374700000000, 0.0022077000000000, -0.0006935400000000 ] - [ -0.0042942300000000, 0.0013310400000000, -0.0004409400000000 ] - [ -0.0006642100000000, -0.0019684300000000, -0.0002889200000000 ] - [ -0.0007928500000000, 0.0013766300000000, 0.0041431000000000 ] - [ -0.0006555900000000, -0.0001456200000000, 0.0042529400000000 ] - [ -0.0003599400000000, -0.0005985700000000, 0.0016782900000000 ] - [ -0.0034431600000000, -0.0006808500000000, -0.0013947500000000 ] - [ -0.0052304500000000, 0.0014290700000000, -0.0004485100000000 ] - [ -0.0039221400000000, -0.0003913000000000, -0.0034475600000000 ] - [ -0.0033442000000000, 0.0004859600000000, -0.0016185900000000 ] - [ 0.0029017800000000, -0.0023435400000000, 0.0007212700000000 ] - [ 0.0024840500000000, -0.0005388700000000, 0.0002879700000000 ] - [ 0.0021976200000000, -0.0010014800000000, 0.0009671900000000 ] - [ 0.0030869600000000, 0.0005934500000000, 0.0011784000000000 ] - [ -0.0001734300000000, 0.0005399100000000, 0.0014939900000000 ] - [ 0.0188800500000000, -0.0141361500000000, 0.0076242000000000 ] - [ 0.0031162400000000, 0.0011176400000000, 0.0005450200000000 ] - [ 0.0032596500000000, 0.0019942600000000, 0.0007962000000000 ] - [ -0.0001119900000000, -0.0010186700000000, -0.0022541300000000 ] - [ 0.0002530900000000, -0.0003062900000000, -0.0017430800000000 ] - [ 0.0000090300000000, -0.0025216100000000, -0.0002012400000000 ] - [ 0.0005866700000000, -0.0016094900000000, 0.0002563200000000 ] - [ -0.0008649200000000, -0.0005085100000000, -0.0013527900000000 ] - [ -0.0001193600000000, 0.0010539500000000, -0.0018073300000000 ] - [ 0.0027307500000000, -0.0004097700000000, 0.0022283000000000 ] - [ 0.0024867000000000, 0.0009654300000000, 0.0017902300000000 ] - [ 0.0151603400000000, 0.0092050900000000, -0.0101871300000000 ] - [ -0.0034140000000000, -0.0012051400000000, -0.0005518600000000 ] - [ 0.0003935300000000, 0.0016456600000000, 0.0003481100000000 ] - [ 0.0002794200000000, 0.0022685800000000, 0.0004222000000000 ] - [ 0.0016842200000000, 0.0018749700000000, -0.0031845300000000 ] - [ -0.0007904400000000, 0.0018990800000000, -0.0004076900000000 ] - [ -0.0034278300000000, 0.0012273800000000, -0.0005781400000000 ] - [ -0.0024756200000000, 0.0028269800000000, -0.0029028900000000 ] - [ 0.0076499000000000, -0.0026666800000000, -0.0003462800000000 ] - [ 0.0015746700000000, -0.0026935200000000, -0.0002532700000000 ] - [ 0.0011189700000000, 0.0026961800000000, -0.0002093700000000 ] - [ 0.0012380400000000, 0.0026972600000000, 0.0002729500000000 ] - [ -0.0018415900000000, -0.0026957300000000, 0.0002043200000000 ] - [ -0.0007831600000000, -0.0026979400000000, 0.0001897800000000 ] - [ -0.0006670300000000, 0.0026963700000000, 0.0001216800000000 ] - [ -0.0012026000000000, 0.0026975700000000, 0.0000661100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030271800000000, -0.0020769500000000, 0.0028306500000000 ] - [ 0.0020264400000000, 0.0030287700000000, 0.0042259200000000 ] - [ 0.0000000000000000, -0.0675590800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035108000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002969400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027610400000000, 0.0000000000000000 ] - [ -0.0025025100000000, -0.0028795800000000, -0.0051740000000000 ] - [ -0.0023637300000000, -0.0006046800000000, -0.0043841800000000 ] - [ 0.0020312900000000, -0.0012827400000000, 0.0043110800000000 ] - [ 0.0027075800000000, -0.0020923300000000, 0.0045844200000000 ] - [ -0.0077204100000000, 0.0037401900000000, -0.0033035800000000 ] - [ 0.0000599700000000, 0.0049175600000000, -0.0042807100000000 ] - [ 0.0077204100000000, 0.0037401900000000, 0.0033035800000000 ] - [ -0.0000599700000000, 0.0049175600000000, 0.0042807100000000 ] - [ 0.0000000000000000, 0.0007624900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007653500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012117800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003665900000000, 0.0000000000000000 ] - [ -0.0020312900000000, -0.0012827400000000, -0.0043110800000000 ] - [ -0.0027075800000000, -0.0020923300000000, -0.0045844200000000 ] - [ 0.0025025100000000, -0.0028795800000000, 0.0051740000000000 ] - [ 0.0023637300000000, -0.0006046800000000, 0.0043841800000000 ] - [ -0.0030271800000000, -0.0020769500000000, -0.0028306500000000 ] - [ -0.0020264400000000, 0.0030287700000000, -0.0042259200000000 ] - [ -0.0013761100000000, -0.0005557500000000, -0.0012957500000000 ] - [ -0.0029406400000000, -0.0047096900000000, 0.0070968600000000 ] - [ 0.0008949400000000, -0.0015811200000000, 0.0008186600000000 ] - [ 0.0019737900000000, -0.0008472800000000, 0.0004657000000000 ] - [ 0.0032243600000000, -0.0095458900000000, 0.0018312100000000 ] - [ -0.0020563600000000, 0.0025451100000000, -0.0007230400000000 ] - [ -0.0001541000000000, 0.0017282500000000, -0.0002543900000000 ] - [ 0.0014426600000000, 0.0016791300000000, 0.0007144300000000 ] - [ -0.0008949400000000, -0.0015811200000000, -0.0008186600000000 ] - [ -0.0019737900000000, -0.0008472800000000, -0.0004657000000000 ] - [ 0.0013761100000000, -0.0005557500000000, 0.0012957500000000 ] - [ 0.0029406400000000, -0.0047096900000000, -0.0070968600000000 ] - [ 0.0001541000000000, 0.0017282500000000, 0.0002543900000000 ] - [ -0.0014426600000000, 0.0016791300000000, -0.0007144300000000 ] - [ -0.0032243600000000, -0.0095458900000000, -0.0018312100000000 ] - [ 0.0020563600000000, 0.0025451100000000, 0.0007230400000000 ] - [ -0.0008699800000000, -0.0014873000000000, -0.0005689200000000 ] - [ -0.0013276600000000, -0.0022217900000000, -0.0005537100000000 ] - [ -0.0005039000000000, -0.0007616500000000, 0.0021576000000000 ] - [ -0.0007546000000000, -0.0008796100000000, 0.0016066200000000 ] - [ -0.0027236900000000, -0.0001592700000000, -0.0011483500000000 ] - [ -0.0035304300000000, -0.0008409500000000, -0.0018595700000000 ] - [ -0.0031778900000000, 0.0004542900000000, -0.0019223400000000 ] - [ -0.0041946800000000, -0.0000993000000000, -0.0015591400000000 ] - [ -0.0058595500000000, 0.0104317100000000, 0.0040475300000000 ] - [ 0.0039627400000000, -0.0028865600000000, 0.0008964800000000 ] - [ 0.0036285300000000, -0.0009317900000000, 0.0014577800000000 ] - [ 0.0031918400000000, 0.0020513200000000, 0.0015487300000000 ] - [ -0.0001660900000000, 0.0009444200000000, 0.0017325200000000 ] - [ -0.0009473900000000, 0.0003034900000000, 0.0016048400000000 ] - [ 0.0039013500000000, 0.0014794100000000, 0.0008728900000000 ] - [ 0.0039672700000000, 0.0023516100000000, -0.0005379700000000 ] - [ -0.0001775000000000, 0.0014463900000000, -0.0016978400000000 ] - [ 0.0010680800000000, -0.0014077000000000, -0.0021437800000000 ] - [ 0.0018643300000000, -0.0029534000000000, 0.0005008000000000 ] - [ -0.0024434700000000, 0.0010860500000000, 0.0032830700000000 ] - [ 0.0008797000000000, -0.0003395700000000, -0.0011482400000000 ] - [ 0.0145862100000000, 0.0154493200000000, 0.0030259100000000 ] - [ 0.0031275500000000, 0.0016684900000000, 0.0000774100000000 ] - [ 0.0036502200000000, -0.0000800000000000, 0.0017350400000000 ] - [ -0.0033282700000000, -0.0019790600000000, -0.0005073600000000 ] - [ -0.0046392300000000, -0.0020312500000000, -0.0006813700000000 ] - [ 0.0018372700000000, 0.0061238500000000, -0.0003085300000000 ] - [ 0.0013636900000000, 0.0013287100000000, 0.0006299100000000 ] - [ -0.0012258300000000, 0.0019891600000000, -0.0005151100000000 ] - [ -0.0013200500000000, 0.0018635600000000, -0.0006042600000000 ] - [ -0.0037754500000000, 0.0023505800000000, -0.0009634000000000 ] - [ -0.0039001900000000, 0.0010315100000000, -0.0004042400000000 ] - [ -0.0018643300000000, -0.0029534000000000, -0.0005008000000000 ] - [ 0.0024434700000000, 0.0010860500000000, -0.0032830700000000 ] - [ 0.0001775000000000, 0.0014463900000000, 0.0016978400000000 ] - [ -0.0010680800000000, -0.0014077000000000, 0.0021437800000000 ] - [ -0.0036285300000000, -0.0009317900000000, -0.0014577800000000 ] - [ -0.0031918400000000, 0.0020513200000000, -0.0015487300000000 ] - [ -0.0031275500000000, 0.0016684900000000, -0.0000774100000000 ] - [ -0.0036502200000000, -0.0000800000000000, -0.0017350400000000 ] - [ 0.0033282700000000, -0.0019790600000000, 0.0005073600000000 ] - [ 0.0046392300000000, -0.0020312500000000, 0.0006813700000000 ] - [ 0.0027236900000000, -0.0001592700000000, 0.0011483500000000 ] - [ 0.0035304300000000, -0.0008409500000000, 0.0018595700000000 ] - [ -0.0008797000000000, -0.0003395700000000, 0.0011482400000000 ] - [ -0.0145862100000000, 0.0154493200000000, -0.0030259100000000 ] - [ 0.0037754500000000, 0.0023505800000000, 0.0009634000000000 ] - [ 0.0039001900000000, 0.0010315100000000, 0.0004042400000000 ] - [ 0.0005039000000000, -0.0007616500000000, -0.0021576000000000 ] - [ 0.0007546000000000, -0.0008796100000000, -0.0016066200000000 ] - [ 0.0008699800000000, -0.0014873000000000, 0.0005689200000000 ] - [ 0.0013276600000000, -0.0022217900000000, 0.0005537100000000 ] - [ 0.0001660900000000, 0.0009444200000000, -0.0017325200000000 ] - [ 0.0009473900000000, 0.0003034900000000, -0.0016048400000000 ] - [ 0.0031778900000000, 0.0004542900000000, 0.0019223400000000 ] - [ 0.0041946800000000, -0.0000993000000000, 0.0015591400000000 ] - [ 0.0058595500000000, 0.0104317100000000, -0.0040475300000000 ] - [ -0.0039627400000000, -0.0028865600000000, -0.0008964800000000 ] - [ 0.0012258300000000, 0.0019891600000000, 0.0005151100000000 ] - [ 0.0013200500000000, 0.0018635600000000, 0.0006042600000000 ] - [ -0.0018372700000000, 0.0061238500000000, 0.0003085300000000 ] - [ -0.0013636900000000, 0.0013287100000000, -0.0006299100000000 ] - [ -0.0039013500000000, 0.0014794100000000, -0.0008728900000000 ] - [ -0.0039672700000000, 0.0023516100000000, 0.0005379700000000 ] - [ 0.0000000000000000, 0.0170629900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0043819300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029913100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020903200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024219900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030383000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024083000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029307500000000, 0.0000000000000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016613200000000, 0.0056046700000000, 0.0057850300000000 ] - [ 0.0026551500000000, 0.0005027800000000, 0.0043773200000000 ] - [ 0.0000000000000000, 0.0681004300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022273200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009964500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014792900000000, 0.0000000000000000 ] - [ -0.0021743800000000, -0.0006599500000000, -0.0034368500000000 ] - [ -0.0023229500000000, -0.0029188300000000, -0.0042220100000000 ] - [ 0.0026514300000000, -0.0022469400000000, 0.0042929900000000 ] - [ 0.0019792400000000, -0.0014356200000000, 0.0040196000000000 ] - [ 0.0029904700000000, -0.0002259100000000, -0.0052811300000000 ] - [ -0.0047544300000000, -0.0013781900000000, -0.0043265300000000 ] - [ -0.0029904700000000, -0.0002259100000000, 0.0052811300000000 ] - [ 0.0047544300000000, -0.0013781900000000, 0.0043265300000000 ] - [ 0.0000000000000000, 0.0005241200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005266900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000818700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009248100000000, 0.0000000000000000 ] - [ -0.0026514300000000, -0.0022469400000000, -0.0042929900000000 ] - [ -0.0019792400000000, -0.0014356200000000, -0.0040196000000000 ] - [ 0.0021743800000000, -0.0006599500000000, 0.0034368500000000 ] - [ 0.0023229500000000, -0.0029188300000000, 0.0042220100000000 ] - [ -0.0016613200000000, 0.0056046700000000, -0.0057850300000000 ] - [ -0.0026551500000000, 0.0005027800000000, -0.0043773200000000 ] - [ -0.0012101100000000, -0.0018063600000000, 0.0006184800000000 ] - [ 0.0003702200000000, 0.0023619300000000, -0.0077659200000000 ] - [ 0.0016939800000000, -0.0007847800000000, -0.0001511200000000 ] - [ 0.0006123400000000, -0.0015152400000000, 0.0002088800000000 ] - [ -0.0057971200000000, 0.0119526100000000, -0.0025280800000000 ] - [ -0.0005350000000000, -0.0001781900000000, 0.0000508100000000 ] - [ 0.0027277500000000, 0.0006427800000000, 0.0009233800000000 ] - [ 0.0011402700000000, 0.0006905400000000, -0.0000382700000000 ] - [ -0.0016939800000000, -0.0007847800000000, 0.0001511200000000 ] - [ -0.0006123400000000, -0.0015152400000000, -0.0002088800000000 ] - [ 0.0012101100000000, -0.0018063600000000, -0.0006184800000000 ] - [ -0.0003702200000000, 0.0023619300000000, 0.0077659200000000 ] - [ -0.0027277500000000, 0.0006427800000000, -0.0009233800000000 ] - [ -0.0011402700000000, 0.0006905400000000, 0.0000382700000000 ] - [ 0.0057971200000000, 0.0119526100000000, 0.0025280800000000 ] - [ 0.0005350000000000, -0.0001781900000000, -0.0000508100000000 ] - [ -0.0017188500000000, -0.0022483600000000, -0.0004506400000000 ] - [ -0.0012668400000000, -0.0015164100000000, -0.0004661000000000 ] - [ -0.0008736200000000, -0.0006880100000000, 0.0012025600000000 ] - [ -0.0006224900000000, -0.0005716200000000, 0.0017504000000000 ] - [ -0.0041753900000000, -0.0004482100000000, -0.0019748800000000 ] - [ -0.0033768000000000, 0.0002330700000000, -0.0012667000000000 ] - [ -0.0037316600000000, 0.0001548300000000, -0.0012010100000000 ] - [ -0.0027160200000000, 0.0007025500000000, -0.0015667800000000 ] - [ 0.0131856600000000, -0.0136890300000000, -0.0027306300000000 ] - [ 0.0035906100000000, -0.0004427800000000, 0.0003397900000000 ] - [ 0.0032830100000000, 0.0003260600000000, 0.0016672900000000 ] - [ 0.0037217600000000, -0.0026580500000000, 0.0015729300000000 ] - [ -0.0012251500000000, 0.0005126000000000, 0.0016199600000000 ] - [ -0.0004288100000000, 0.0011447800000000, 0.0017517300000000 ] - [ 0.0036503200000000, 0.0018483500000000, 0.0003665600000000 ] - [ 0.0035854700000000, 0.0009739900000000, 0.0017758000000000 ] - [ 0.0015626800000000, -0.0029061800000000, -0.0016659600000000 ] - [ 0.0003120100000000, -0.0000444500000000, -0.0012157000000000 ] - [ 0.0007376100000000, -0.0007898100000000, 0.0005168500000000 ] - [ 0.0050013200000000, -0.0049308200000000, -0.0021913100000000 ] - [ 0.0005024200000000, 0.0017861100000000, -0.0022063200000000 ] - [ -0.0136105700000000, -0.0142201200000000, -0.0065291100000000 ] - [ 0.0037781900000000, -0.0010622000000000, 0.0030540800000000 ] - [ 0.0032595700000000, 0.0006834100000000, 0.0013923300000000 ] - [ -0.0042183600000000, -0.0013481500000000, -0.0007293600000000 ] - [ -0.0029216700000000, -0.0012983600000000, -0.0005551200000000 ] - [ 0.0007499300000000, -0.0023825900000000, 0.0013060500000000 ] - [ 0.0012329200000000, 0.0024072500000000, 0.0003915900000000 ] - [ -0.0013695300000000, 0.0017488300000000, -0.0005031900000000 ] - [ -0.0012751600000000, 0.0018728600000000, -0.0004158700000000 ] - [ -0.0037764500000000, 0.0009759400000000, -0.0002724400000000 ] - [ -0.0036509000000000, 0.0022928900000000, -0.0008316900000000 ] - [ -0.0007376100000000, -0.0007898100000000, -0.0005168500000000 ] - [ -0.0050013200000000, -0.0049308200000000, 0.0021913100000000 ] - [ -0.0015626800000000, -0.0029061800000000, 0.0016659600000000 ] - [ -0.0003120100000000, -0.0000444500000000, 0.0012157000000000 ] - [ -0.0032830100000000, 0.0003260600000000, -0.0016672900000000 ] - [ -0.0037217600000000, -0.0026580500000000, -0.0015729300000000 ] - [ -0.0037781900000000, -0.0010622000000000, -0.0030540800000000 ] - [ -0.0032595700000000, 0.0006834100000000, -0.0013923300000000 ] - [ 0.0042183600000000, -0.0013481500000000, 0.0007293600000000 ] - [ 0.0029216700000000, -0.0012983600000000, 0.0005551200000000 ] - [ 0.0041753900000000, -0.0004482100000000, 0.0019748800000000 ] - [ 0.0033768000000000, 0.0002330700000000, 0.0012667000000000 ] - [ -0.0005024200000000, 0.0017861100000000, 0.0022063200000000 ] - [ 0.0136105700000000, -0.0142201200000000, 0.0065291100000000 ] - [ 0.0037764500000000, 0.0009759400000000, 0.0002724400000000 ] - [ 0.0036509000000000, 0.0022928900000000, 0.0008316900000000 ] - [ 0.0008736200000000, -0.0006880100000000, -0.0012025600000000 ] - [ 0.0006224900000000, -0.0005716200000000, -0.0017504000000000 ] - [ 0.0017188500000000, -0.0022483600000000, 0.0004506400000000 ] - [ 0.0012668400000000, -0.0015164100000000, 0.0004661000000000 ] - [ 0.0012251500000000, 0.0005126000000000, -0.0016199600000000 ] - [ 0.0004288100000000, 0.0011447800000000, -0.0017517300000000 ] - [ 0.0037316600000000, 0.0001548300000000, 0.0012010100000000 ] - [ 0.0027160200000000, 0.0007025500000000, 0.0015667800000000 ] - [ -0.0131856600000000, -0.0136890300000000, 0.0027306300000000 ] - [ -0.0035906100000000, -0.0004427800000000, -0.0003397900000000 ] - [ 0.0013695300000000, 0.0017488300000000, 0.0005031900000000 ] - [ 0.0012751600000000, 0.0018728600000000, 0.0004158700000000 ] - [ -0.0007499300000000, -0.0023825900000000, -0.0013060500000000 ] - [ -0.0012329200000000, 0.0024072500000000, -0.0003915900000000 ] - [ -0.0036503200000000, 0.0018483500000000, -0.0003665600000000 ] - [ -0.0035854700000000, 0.0009739900000000, -0.0017758000000000 ] - [ 0.0000000000000000, -0.0212800600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009936400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024047900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032994900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029711000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023542800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029846300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024627200000000, 0.0000000000000000 ]- atom: 3 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0019329200000000, 0.0002977700000000, 0.0014179900000000 ] - [ 0.0023212400000000, 0.0017316600000000, 0.0041808700000000 ] - [ 0.0158000800000000, 0.0006914800000000, -0.0353815900000000 ] - [ 0.0001237600000000, 0.0006469100000000, 0.0000735800000000 ] - [ -0.0000109500000000, -0.0006442100000000, -0.0000241400000000 ] - [ -0.0021041700000000, -0.0006550100000000, 0.0075548300000000 ] - [ 0.0001073600000000, -0.0046281800000000, -0.0019622000000000 ] - [ -0.0021076500000000, -0.0012805800000000, -0.0039321600000000 ] - [ 0.0023248300000000, -0.0018270900000000, 0.0044826800000000 ] - [ 0.0022203300000000, -0.0016230400000000, 0.0056050800000000 ] - [ -0.0025390800000000, 0.0043232800000000, -0.0050177400000000 ] - [ -0.0034082200000000, 0.0011439200000000, -0.0074784800000000 ] - [ 0.0021398500000000, -0.0007968600000000, 0.0035811100000000 ] - [ 0.0012797000000000, 0.0023893200000000, 0.0011448700000000 ] - [ -0.0003396200000000, 0.0006466900000000, -0.0004162900000000 ] - [ -0.0000883300000000, 0.0006487300000000, -0.0003803000000000 ] - [ 0.0002675500000000, -0.0006469400000000, 0.0001695600000000 ] - [ -0.0002264800000000, -0.0006479200000000, 0.0002315600000000 ] - [ -0.0023607100000000, -0.0017001600000000, -0.0041199200000000 ] - [ -0.0024648100000000, -0.0019100400000000, -0.0029926700000000 ] - [ 0.0048044000000000, 0.0011097900000000, 0.0066600900000000 ] - [ 0.0025792900000000, -0.0022525500000000, 0.0046698800000000 ] - [ -0.0027590900000000, 0.0032173300000000, -0.0071852300000000 ] - [ -0.0023656600000000, 0.0017992700000000, -0.0044215800000000 ] - [ -0.0012572100000000, -0.0012201600000000, -0.0005638700000000 ] - [ 0.0067058100000000, 0.0061601700000000, 0.0001530100000000 ] - [ 0.0010847900000000, -0.0011849200000000, 0.0010892500000000 ] - [ 0.0009060600000000, -0.0014009100000000, -0.0000388100000000 ] - [ -0.0091762600000000, 0.0011090900000000, 0.0050844100000000 ] - [ -0.0011765900000000, 0.0011554600000000, -0.0001745300000000 ] - [ 0.0016993100000000, 0.0010488700000000, 0.0003904600000000 ] - [ 0.0012801700000000, 0.0013081500000000, 0.0003238700000000 ] - [ -0.0015013900000000, -0.0011813800000000, 0.0004219900000000 ] - [ -0.0016779200000000, -0.0009655400000000, -0.0007108200000000 ] - [ 0.0013275700000000, -0.0011428700000000, 0.0001038600000000 ] - [ 0.0093508200000000, -0.0085957900000000, 0.0007875900000000 ] - [ -0.0008814500000000, 0.0013180500000000, -0.0002824500000000 ] - [ -0.0013056400000000, 0.0010609600000000, -0.0003546500000000 ] - [ -0.0065226700000000, 0.0012654000000000, 0.0057416800000000 ] - [ 0.0014063000000000, 0.0012095300000000, 0.0004984400000000 ] - [ -0.0014255700000000, -0.0019325300000000, -0.0004255700000000 ] - [ -0.0012614500000000, -0.0018949800000000, -0.0004444300000000 ] - [ -0.0010843900000000, -0.0005216400000000, 0.0018180000000000 ] - [ -0.0007712300000000, -0.0007833200000000, 0.0016034400000000 ] - [ -0.0037984900000000, -0.0003313900000000, -0.0009556800000000 ] - [ -0.0035320300000000, -0.0003047200000000, -0.0012957800000000 ] - [ -0.0032687800000000, 0.0003767200000000, -0.0023602600000000 ] - [ -0.0028152100000000, 0.0005962700000000, -0.0016931000000000 ] - [ -0.0069036700000000, 0.0037706000000000, 0.0093543100000000 ] - [ 0.0037518900000000, -0.0016337500000000, 0.0006111000000000 ] - [ 0.0035038800000000, -0.0004127800000000, 0.0014371800000000 ] - [ 0.0047193600000000, 0.0002094400000000, 0.0014013000000000 ] - [ 0.0003545100000000, 0.0002193500000000, 0.0017202900000000 ] - [ -0.0005906100000000, 0.0008105400000000, 0.0016980500000000 ] - [ 0.0037927800000000, 0.0018155300000000, 0.0006361400000000 ] - [ 0.0029692900000000, -0.0000475500000000, -0.0000227900000000 ] - [ 0.0021214900000000, -0.0016943200000000, -0.0045725900000000 ] - [ 0.0006252900000000, -0.0006815200000000, -0.0017013400000000 ] - [ 0.0011565400000000, -0.0018027700000000, 0.0004351700000000 ] - [ 0.0046793400000000, -0.0004502700000000, -0.0003027900000000 ] - [ 0.0006839000000000, 0.0005889600000000, -0.0014870200000000 ] - [ 0.0046321600000000, 0.0036807700000000, 0.0059758300000000 ] - [ 0.0017349700000000, -0.0003356300000000, 0.0015878700000000 ] - [ 0.0034202600000000, 0.0002759800000000, 0.0016004000000000 ] - [ -0.0038161700000000, -0.0014744700000000, -0.0003403000000000 ] - [ -0.0040977100000000, -0.0018828600000000, -0.0004763600000000 ] - [ -0.0033000100000000, -0.0001700500000000, -0.0020541000000000 ] - [ 0.0012680900000000, 0.0018863900000000, 0.0005552800000000 ] - [ -0.0012688000000000, 0.0018212600000000, -0.0006424300000000 ] - [ -0.0010621300000000, 0.0019594300000000, -0.0005904300000000 ] - [ -0.0039275200000000, 0.0016752500000000, -0.0009745300000000 ] - [ -0.0035933400000000, 0.0019372700000000, -0.0007994300000000 ] - [ -0.0014380900000000, -0.0019338300000000, -0.0005859100000000 ] - [ 0.0021283700000000, -0.0033539200000000, -0.0014466600000000 ] - [ 0.0007311100000000, 0.0002466300000000, -0.0012164200000000 ] - [ -0.0007523300000000, -0.0007675300000000, 0.0016530000000000 ] - [ -0.0034043900000000, -0.0001932800000000, -0.0016896300000000 ] - [ -0.0021916800000000, -0.0008220100000000, -0.0017222600000000 ] - [ -0.0051879400000000, 0.0009550100000000, -0.0015344700000000 ] - [ -0.0034888600000000, 0.0003279600000000, -0.0015241300000000 ] - [ 0.0037345200000000, -0.0018544900000000, 0.0008995000000000 ] - [ 0.0034655000000000, -0.0014481400000000, 0.0007602000000000 ] - [ 0.0031070600000000, -0.0002741200000000, 0.0021654700000000 ] - [ 0.0033778900000000, -0.0003038900000000, 0.0018309400000000 ] - [ -0.0006929900000000, 0.0008619500000000, 0.0018714900000000 ] - [ 0.0032809300000000, -0.0022649600000000, 0.0093318500000000 ] - [ 0.0036225100000000, 0.0016514400000000, 0.0002617400000000 ] - [ 0.0039585400000000, 0.0013889600000000, 0.0004376100000000 ] - [ 0.0002910900000000, -0.0009296800000000, -0.0015374700000000 ] - [ 0.0006058900000000, -0.0006649100000000, -0.0017507300000000 ] - [ 0.0011695500000000, -0.0018066400000000, 0.0005961600000000 ] - [ 0.0013349900000000, -0.0018434600000000, 0.0005766000000000 ] - [ 0.0017396800000000, 0.0012330700000000, -0.0016340300000000 ] - [ 0.0007863500000000, 0.0006389100000000, -0.0016584300000000 ] - [ 0.0036408000000000, 0.0002281800000000, 0.0007598700000000 ] - [ 0.0040929300000000, 0.0000104200000000, 0.0014319500000000 ] - [ -0.0141682600000000, -0.0069829100000000, 0.0080194300000000 ] - [ -0.0038000600000000, -0.0016929500000000, -0.0006270300000000 ] - [ 0.0013274200000000, 0.0019155200000000, 0.0003762700000000 ] - [ 0.0015334000000000, 0.0017790500000000, 0.0004280700000000 ] - [ -0.0058784400000000, 0.0039421900000000, -0.0027543300000000 ] - [ -0.0013281500000000, 0.0018507600000000, -0.0004632700000000 ] - [ -0.0037593400000000, 0.0015071000000000, -0.0005999900000000 ] - [ -0.0045964700000000, 0.0033893900000000, -0.0012565100000000 ] - [ -0.0020457400000000, -0.0027287200000000, 0.0031475400000000 ] - [ -0.0002372700000000, -0.0026978800000000, 0.0003097100000000 ] - [ 0.0005672900000000, 0.0026927300000000, -0.0004862400000000 ] - [ 0.0000450900000000, 0.0026970400000000, -0.0004974000000000 ] - [ 0.0004120400000000, -0.0026963400000000, 0.0000740400000000 ] - [ -0.0000893400000000, -0.0026973400000000, 0.0000347100000000 ] - [ 0.0001426000000000, 0.0026966700000000, -0.0000755700000000 ] - [ -0.0003210800000000, 0.0026971700000000, -0.0001302800000000 ]- atom: 25 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0021423100000000, 0.0015054600000000, 0.0042806900000000 ] - [ 0.0059060500000000, -0.0002170400000000, -0.0077035200000000 ] - [ -0.0002263700000000, 0.0005554700000000, 0.0000021400000000 ] - [ -0.0009021600000000, -0.0009774600000000, 0.0080042400000000 ] - [ 0.0045185700000000, -0.0051759800000000, -0.0072941300000000 ] - [ -0.0003324800000000, 0.0001179500000000, 0.0000684100000000 ] - [ -0.0032394000000000, -0.0049797800000000, -0.0040893700000000 ] - [ -0.0156843300000000, -0.0056126400000000, -0.0055796000000000 ] - [ 0.0004301300000000, 0.0051839500000000, 0.0139522200000000 ] - [ 0.0018917000000000, -0.0025186100000000, 0.0042182800000000 ] - [ -0.0019816800000000, 0.0014929600000000, -0.0051198300000000 ] - [ -0.0033285900000000, 0.0014099500000000, -0.0048493400000000 ] - [ 0.0033130500000000, 0.0002673200000000, 0.0053797100000000 ] - [ 0.0029875700000000, 0.0024131300000000, 0.0044725500000000 ] - [ 0.0011412000000000, 0.0010382700000000, -0.0000413800000000 ] - [ 0.0011758800000000, -0.0000392600000000, -0.0002236400000000 ] - [ 0.0006910100000000, -0.0004911200000000, 0.0000849200000000 ] - [ 0.0023685500000000, -0.0020907000000000, 0.0007555500000000 ] - [ -0.0006928400000000, -0.0018567500000000, -0.0046837300000000 ] - [ -0.0019576300000000, -0.0018905000000000, -0.0041814000000000 ] - [ 0.0022510100000000, -0.0021011400000000, 0.0042841200000000 ] - [ 0.0033046900000000, -0.0011706300000000, 0.0041371900000000 ] - [ -0.0020486500000000, 0.0016130900000000, -0.0042474000000000 ] - [ -0.0012706600000000, 0.0020667500000000, -0.0036584200000000 ] - [ -0.1875869200000000, -0.0086680800000000, 0.0002804800000000 ] - [ -0.0013050400000000, -0.0014260700000000, -0.0002949100000000 ] - [ 0.0001165900000000, -0.0011513200000000, 0.0003292800000000 ] - [ 0.0001108800000000, -0.0035043200000000, 0.0005124100000000 ] - [ -0.0017404600000000, 0.0010319900000000, -0.0005363700000000 ] - [ -0.0005796400000000, 0.0009150500000000, -0.0008498000000000 ] - [ 0.0011067600000000, 0.0032951100000000, 0.0005006300000000 ] - [ 0.0010299100000000, -0.0007547800000000, -0.0003846300000000 ] - [ -0.0006622800000000, -0.0012337400000000, -0.0002456900000000 ] - [ -0.0006639900000000, -0.0011199500000000, -0.0003386300000000 ] - [ 0.0016368000000000, -0.0009298400000000, 0.0006363500000000 ] - [ 0.0012810700000000, -0.0009688400000000, 0.0002458100000000 ] - [ -0.0010037600000000, 0.0010505300000000, -0.0001803200000000 ] - [ -0.0006596000000000, 0.0011659300000000, -0.0002693800000000 ] - [ 0.0015245700000000, 0.0011411400000000, 0.0002807900000000 ] - [ 0.0041168600000000, 0.0031894900000000, 0.0003467500000000 ] - [ -0.0014054600000000, -0.0021714900000000, -0.0004444700000000 ] - [ -0.0021453300000000, -0.0001847700000000, 0.0004511900000000 ] - [ 0.0000104500000000, -0.0017654300000000, 0.0018265400000000 ] - [ -0.0001862600000000, 0.0000071300000000, 0.0010966300000000 ] - [ -0.0029217900000000, -0.0004561300000000, -0.0018413800000000 ] - [ -0.0022791000000000, 0.0014139500000000, 0.0000337600000000 ] - [ -0.0020828700000000, -0.0000089200000000, -0.0001960200000000 ] - [ -0.0032711200000000, 0.0005831500000000, -0.0013621800000000 ] - [ 0.0038630700000000, -0.0014369100000000, 0.0006272700000000 ] - [ 0.0044579200000000, -0.0018073200000000, 0.0011908800000000 ] - [ 0.0048320100000000, -0.0004027800000000, 0.0013759900000000 ] - [ 0.0036830400000000, -0.0000957800000000, 0.0015993000000000 ] - [ -0.0002653400000000, 0.0006390200000000, 0.0022105800000000 ] - [ -0.0005936200000000, 0.0016852200000000, 0.0012435800000000 ] - [ 0.0180170800000000, -0.0111653400000000, -0.0116241000000000 ] - [ 0.0040295400000000, 0.0021313300000000, 0.0008939800000000 ] - [ 0.0008802400000000, -0.0005018200000000, -0.0013552300000000 ] - [ 0.0013745900000000, -0.0005331600000000, -0.0021338900000000 ] - [ 0.0015062400000000, -0.0017815000000000, 0.0028402300000000 ] - [ 0.0015750000000000, -0.0017314700000000, 0.0006837400000000 ] - [ 0.0123924900000000, 0.0036934500000000, -0.0065661000000000 ] - [ 0.0008900400000000, 0.0009537300000000, -0.0017215300000000 ] - [ 0.0038316500000000, 0.0006791000000000, 0.0013339000000000 ] - [ 0.0944838400000000, -0.0294344700000000, 0.0235537500000000 ] - [ -0.0041104400000000, -0.0030788300000000, 0.0000820000000000 ] - [ -0.0035298700000000, -0.0012809400000000, -0.0005098800000000 ] - [ 0.0014082600000000, 0.0021035000000000, 0.0004142300000000 ] - [ 0.0719067700000000, 0.0574420600000000, -0.0043349200000000 ] - [ -0.0015953200000000, 0.0014038500000000, -0.0008314100000000 ] - [ -0.0014680800000000, 0.0026352700000000, -0.0004871200000000 ] - [ -0.0034954200000000, 0.0015853500000000, -0.0005524500000000 ] - [ -0.0026299100000000, 0.0043598100000000, -0.0019825200000000 ] - [ -0.0026970800000000, -0.0027787000000000, -0.0010185700000000 ] - [ -0.0013602200000000, -0.0018882100000000, -0.0005456900000000 ] - [ -0.0008090700000000, -0.0007364600000000, 0.0016826400000000 ] - [ -0.0019777400000000, -0.0009466500000000, 0.0021656000000000 ] - [ -0.0046984800000000, -0.0004489900000000, -0.0017980700000000 ] - [ -0.0036083600000000, -0.0003303900000000, -0.0015604000000000 ] - [ -0.0036114800000000, 0.0002578000000000, -0.0016008900000000 ] - [ -0.0039264700000000, 0.0000928100000000, -0.0017074000000000 ] - [ 0.0033544600000000, -0.0015338100000000, 0.0004829100000000 ] - [ 0.0033870600000000, -0.0016179500000000, 0.0005628000000000 ] - [ 0.0033232400000000, -0.0001551000000000, 0.0012795200000000 ] - [ 0.0030620300000000, -0.0004711600000000, 0.0014428100000000 ] - [ -0.0009631200000000, 0.0007897600000000, 0.0013561000000000 ] - [ -0.0007422600000000, 0.0006440400000000, 0.0016140000000000 ] - [ 0.0035093100000000, 0.0018082600000000, 0.0006909700000000 ] - [ 0.0031802800000000, 0.0014847200000000, 0.0006177600000000 ] - [ 0.0004044400000000, -0.0006613700000000, -0.0017242500000000 ] - [ 0.0002051300000000, -0.0006751600000000, -0.0017877800000000 ] - [ 0.0009860500000000, -0.0019356200000000, 0.0003896800000000 ] - [ 0.0007902800000000, -0.0018654100000000, 0.0002822900000000 ] - [ 0.0002290700000000, 0.0007768400000000, -0.0016785400000000 ] - [ 0.0000903400000000, 0.0005883100000000, -0.0016424800000000 ] - [ 0.0029785500000000, 0.0004697000000000, 0.0016570100000000 ] - [ 0.0031195000000000, 0.0003032700000000, 0.0015325300000000 ] - [ -0.0038176800000000, -0.0015400500000000, -0.0005975600000000 ] - [ -0.0044934400000000, -0.0024168200000000, -0.0013835500000000 ] - [ 0.0009059400000000, 0.0018765200000000, 0.0003826100000000 ] - [ 0.0007107700000000, 0.0020512400000000, 0.0003118200000000 ] - [ -0.0012081800000000, 0.0018232800000000, -0.0004737400000000 ] - [ -0.0015693500000000, 0.0016906700000000, -0.0007619100000000 ] - [ -0.0044898900000000, 0.0019439800000000, -0.0005281500000000 ] - [ -0.0039208100000000, 0.0013944400000000, -0.0005307800000000 ] - [ 0.0003364300000000, -0.0026853400000000, -0.0000654400000000 ] - [ 0.0001897800000000, -0.0032584800000000, -0.0006411100000000 ] - [ 0.0016629200000000, 0.0022542700000000, -0.0004976400000000 ] - [ -0.0002596600000000, 0.0015259600000000, 0.0005899100000000 ] - [ -0.0001233500000000, -0.0025481000000000, 0.0000105700000000 ] - [ -0.0006855500000000, -0.0028541300000000, 0.0001246700000000 ] - [ -0.0016481400000000, 0.0026653100000000, -0.0001655700000000 ] - [ -0.0001562500000000, 0.0028529000000000, 0.0000179900000000 ]- atom: 25 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ 0.0025492600000000, 0.0020270500000000, 0.0043243300000000 ] - [ -0.0012257700000000, 0.0037612900000000, 0.0163824300000000 ] - [ 0.0002240900000000, 0.0007330900000000, -0.0000023400000000 ] - [ 0.0008665500000000, 0.0022671900000000, -0.0079676000000000 ] - [ -0.0045123700000000, 0.0038623200000000, 0.0072199400000000 ] - [ 0.0003316400000000, -0.0014093800000000, -0.0000697700000000 ] - [ -0.0014266400000000, 0.0014755400000000, -0.0045183900000000 ] - [ 0.0110164900000000, 0.0020451100000000, -0.0030084100000000 ] - [ 0.0042815700000000, -0.0087229200000000, -0.0053741900000000 ] - [ 0.0027984100000000, -0.0010075400000000, 0.0043879900000000 ] - [ -0.0026845800000000, 0.0020647300000000, -0.0034916800000000 ] - [ -0.0013576900000000, 0.0021181700000000, -0.0037479500000000 ] - [ 0.0013849200000000, 0.0032387300000000, 0.0032427100000000 ] - [ 0.0017007400000000, 0.0011193200000000, 0.0041324200000000 ] - [ -0.0011422200000000, 0.0002460000000000, 0.0000447900000000 ] - [ -0.0011730200000000, 0.0013262200000000, 0.0002228600000000 ] - [ -0.0006916300000000, -0.0007998100000000, -0.0000875800000000 ] - [ -0.0023600900000000, 0.0007944000000000, -0.0007490300000000 ] - [ -0.0039903700000000, -0.0016729000000000, -0.0039289700000000 ] - [ -0.0027318600000000, -0.0016378000000000, -0.0044241400000000 ] - [ 0.0024331500000000, -0.0014276400000000, 0.0043194000000000 ] - [ 0.0013806200000000, -0.0023541000000000, 0.0044648200000000 ] - [ -0.0026404500000000, 0.0019141800000000, -0.0043576900000000 ] - [ -0.0034170200000000, 0.0014656400000000, -0.0049407100000000 ] - [ 0.1874073000000000, 0.0016007700000000, 0.0011603800000000 ] - [ -0.0012775500000000, -0.0009257200000000, -0.0003843300000000 ] - [ 0.0024772000000000, -0.0012037600000000, 0.0003486400000000 ] - [ 0.0024733900000000, 0.0011502000000000, 0.0001626400000000 ] - [ -0.0008378700000000, 0.0013271900000000, -0.0001426900000000 ] - [ -0.0019913700000000, 0.0014377700000000, 0.0001604800000000 ] - [ 0.0014817500000000, -0.0009568800000000, 0.0001843200000000 ] - [ 0.0015398500000000, 0.0031125900000000, 0.0010582000000000 ] - [ -0.0019145700000000, -0.0011244700000000, -0.0004336300000000 ] - [ -0.0019169400000000, -0.0012350600000000, -0.0003411800000000 ] - [ 0.0009395600000000, -0.0014255200000000, 0.0000485000000000 ] - [ 0.0012982700000000, -0.0013882100000000, 0.0004353100000000 ] - [ -0.0015763700000000, 0.0013037400000000, -0.0004972100000000 ] - [ -0.0019198900000000, 0.0011915700000000, -0.0004103700000000 ] - [ 0.0010542500000000, 0.0012142700000000, 0.0003973800000000 ] - [ -0.0015137100000000, -0.0007771700000000, 0.0003212700000000 ] - [ -0.0011807800000000, -0.0015536900000000, -0.0005747600000000 ] - [ -0.0004402400000000, -0.0035368300000000, -0.0014606200000000 ] - [ -0.0013781400000000, 0.0003248600000000, 0.0015303300000000 ] - [ -0.0011847400000000, -0.0014657200000000, 0.0022570800000000 ] - [ -0.0040051800000000, -0.0001500600000000, -0.0012847500000000 ] - [ -0.0046263800000000, -0.0020495900000000, -0.0031857000000000 ] - [ -0.0048483500000000, 0.0006127300000000, -0.0029304400000000 ] - [ -0.0036459700000000, 0.0000191800000000, -0.0017537900000000 ] - [ 0.0036832700000000, -0.0019031900000000, 0.0006018300000000 ] - [ 0.0030866900000000, -0.0015162000000000, 0.0000385700000000 ] - [ 0.0020787000000000, -0.0001983700000000, 0.0017574000000000 ] - [ 0.0032348900000000, -0.0005101800000000, 0.0015250600000000 ] - [ -0.0011193900000000, 0.0008159000000000, 0.0011376700000000 ] - [ -0.0007818000000000, -0.0002272800000000, 0.0021091600000000 ] - [ -0.0107300900000000, 0.0147544300000000, 0.0130241600000000 ] - [ 0.0035156100000000, 0.0011962300000000, 0.0003311700000000 ] - [ 0.0004961200000000, -0.0009571400000000, -0.0020030500000000 ] - [ -0.0000051200000000, -0.0009223800000000, -0.0012012500000000 ] - [ 0.0010850800000000, -0.0019451000000000, -0.0018088600000000 ] - [ 0.0010084200000000, -0.0019990900000000, 0.0003318500000000 ] - [ -0.0110150300000000, -0.0021004600000000, 0.0026628600000000 ] - [ 0.0004861200000000, 0.0005004700000000, -0.0016332800000000 ] - [ 0.0030842700000000, -0.0000801200000000, 0.0017932800000000 ] - [ -0.0914897700000000, 0.0320260700000000, -0.0219144200000000 ] - [ -0.0034300900000000, -0.0002425500000000, -0.0013191800000000 ] - [ -0.0040133300000000, -0.0020585800000000, -0.0007195700000000 ] - [ 0.0011763500000000, 0.0016211800000000, 0.0006036200000000 ] - [ -0.0675866600000000, -0.0513225700000000, 0.0050688700000000 ] - [ -0.0009898200000000, 0.0023263300000000, -0.0001834600000000 ] - [ -0.0011157700000000, 0.0010915500000000, -0.0005278800000000 ] - [ -0.0040547100000000, 0.0017495700000000, -0.0006757100000000 ] - [ -0.0049103000000000, -0.0010333000000000, 0.0007686400000000 ] - [ 0.0000661500000000, -0.0009824700000000, -0.0000033700000000 ] - [ -0.0012223600000000, -0.0018400000000000, -0.0004698500000000 ] - [ -0.0005663200000000, -0.0007196500000000, 0.0016734800000000 ] - [ 0.0005953500000000, -0.0005133800000000, 0.0012001300000000 ] - [ -0.0022370500000000, -0.0001620400000000, -0.0013288300000000 ] - [ -0.0033094000000000, -0.0002741900000000, -0.0015638700000000 ] - [ -0.0033051800000000, 0.0003474400000000, -0.0015238200000000 ] - [ -0.0029917200000000, 0.0005105300000000, -0.0014184300000000 ] - [ 0.0041894900000000, -0.0018012900000000, 0.0007436700000000 ] - [ 0.0041579300000000, -0.0017180800000000, 0.0006656000000000 ] - [ 0.0035951600000000, -0.0004471200000000, 0.0018415000000000 ] - [ 0.0038556100000000, -0.0001337600000000, 0.0016808500000000 ] - [ -0.0004105000000000, 0.0006634700000000, 0.0019946500000000 ] - [ -0.0006332800000000, 0.0008117700000000, 0.0017412400000000 ] - [ 0.0040355300000000, 0.0015296700000000, 0.0005375900000000 ] - [ 0.0043648300000000, 0.0018488200000000, 0.0006107200000000 ] - [ 0.0009718500000000, -0.0007945500000000, -0.0016313900000000 ] - [ 0.0011710600000000, -0.0007813700000000, -0.0015680400000000 ] - [ 0.0015969000000000, -0.0017910000000000, 0.0006257900000000 ] - [ 0.0017937300000000, -0.0018637000000000, 0.0007333200000000 ] - [ 0.0011453300000000, 0.0006816100000000, -0.0016762000000000 ] - [ 0.0012848600000000, 0.0008667200000000, -0.0017124500000000 ] - [ 0.0039356000000000, 0.0001364600000000, 0.0014694000000000 ] - [ 0.0037983800000000, 0.0003002700000000, 0.0015925900000000 ] - [ -0.0037266400000000, -0.0017935600000000, -0.0006301100000000 ] - [ -0.0030523300000000, -0.0009298900000000, 0.0001513000000000 ] - [ 0.0016771800000000, 0.0018527700000000, 0.0006340900000000 ] - [ 0.0018739700000000, 0.0016754500000000, 0.0007053700000000 ] - [ -0.0013748600000000, 0.0019047300000000, -0.0005424400000000 ] - [ -0.0010108000000000, 0.0020380000000000, -0.0002534200000000 ] - [ -0.0030513600000000, 0.0013904500000000, -0.0007009600000000 ] - [ -0.0036230800000000, 0.0019414400000000, -0.0006982200000000 ] - [ -0.0003308500000000, -0.0027094200000000, 0.0000627300000000 ] - [ -0.0001899900000000, -0.0021371400000000, 0.0006380800000000 ] - [ -0.0016556400000000, 0.0031442400000000, 0.0005004700000000 ] - [ 0.0002632700000000, 0.0038767300000000, -0.0005966300000000 ] - [ 0.0001231700000000, -0.0028473200000000, -0.0000113700000000 ] - [ 0.0006831800000000, -0.0025415800000000, -0.0001263900000000 ] - [ 0.0016372900000000, 0.0027245300000000, 0.0001641900000000 ] - [ 0.0001546300000000, 0.0025421500000000, -0.0000167700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026492700000000, 0.0035948100000000, 0.0039819500000000 ] - [ 0.0016761900000000, -0.0004923800000000, 0.0108749300000000 ] - [ -0.0002678000000000, 0.0012709400000000, -0.0000769800000000 ] - [ -0.0015597900000000, -0.0029068800000000, 0.0072434100000000 ] - [ -0.0067286500000000, -0.0114065000000000, -0.0008950700000000 ] - [ -0.0001175500000000, 0.0007162500000000, 0.0000103300000000 ] - [ -0.0006200200000000, 0.0065009200000000, -0.0029734400000000 ] - [ -0.0061809500000000, 0.0088741400000000, -0.0123220300000000 ] - [ 0.0094141200000000, -0.0097621800000000, 0.0046469400000000 ] - [ 0.0024111300000000, -0.0002529600000000, 0.0042701100000000 ] - [ -0.0029068700000000, 0.0023031300000000, -0.0053642200000000 ] - [ -0.0018082800000000, 0.0022827100000000, -0.0031763500000000 ] - [ 0.0022090900000000, 0.0016008200000000, 0.0042754000000000 ] - [ 0.0025180800000000, 0.0025343600000000, 0.0043665200000000 ] - [ 0.0007587500000000, 0.0002473100000000, 0.0001107900000000 ] - [ -0.0003688300000000, 0.0009784400000000, 0.0001669200000000 ] - [ 0.0010929200000000, -0.0001522100000000, 0.0002806300000000 ] - [ -0.0007305200000000, -0.0001066800000000, -0.0002388100000000 ] - [ -0.0025445700000000, -0.0028688800000000, -0.0041561600000000 ] - [ -0.0023613300000000, -0.0011256400000000, -0.0043566800000000 ] - [ 0.0011664700000000, -0.0014567100000000, 0.0044902100000000 ] - [ 0.0027471600000000, -0.0015674800000000, 0.0039375600000000 ] - [ -0.0023492500000000, 0.0021527700000000, -0.0042699500000000 ] - [ -0.0020097600000000, 0.0011390700000000, -0.0041235500000000 ] - [ -0.0076905000000000, -0.1905073000000000, -0.0077291900000000 ] - [ -0.0015475600000000, 0.0001814100000000, -0.0000612100000000 ] - [ 0.0036278200000000, -0.0006696600000000, 0.0004807200000000 ] - [ 0.0012697400000000, -0.0006718600000000, 0.0000499600000000 ] - [ -0.0011480300000000, 0.0019640600000000, -0.0000454600000000 ] - [ -0.0010206200000000, 0.0001050400000000, -0.0026787300000000 ] - [ 0.0034199900000000, 0.0012859500000000, -0.0008819700000000 ] - [ -0.0006496300000000, 0.0021008900000000, -0.0002469500000000 ] - [ -0.0012365700000000, -0.0011153900000000, -0.0003840700000000 ] - [ -0.0013497000000000, -0.0011155000000000, -0.0003258100000000 ] - [ 0.0010460900000000, -0.0019648000000000, 0.0005844300000000 ] - [ 0.0010859500000000, -0.0006166800000000, 0.0001806600000000 ] - [ -0.0011685700000000, 0.0009485900000000, -0.0002486300000000 ] - [ -0.0012813200000000, 0.0014401800000000, -0.0003855600000000 ] - [ 0.0012591200000000, 0.0014998700000000, 0.0001501900000000 ] - [ 0.0032756000000000, -0.0011843800000000, 0.0013490100000000 ] - [ -0.0018041000000000, -0.0020905200000000, -0.0005047900000000 ] - [ -0.0011175200000000, -0.0019642800000000, -0.0006335700000000 ] - [ -0.0026761800000000, -0.0010595100000000, 0.0017367100000000 ] - [ 0.0001416600000000, -0.0014640300000000, 0.0017937100000000 ] - [ -0.0046282800000000, -0.0011754000000000, -0.0003455000000000 ] - [ -0.0020893800000000, -0.0008037800000000, -0.0020560000000000 ] - [ -0.0055501500000000, -0.0002986200000000, -0.0034570100000000 ] - [ -0.0036009500000000, -0.0002236000000000, -0.0004757600000000 ] - [ 0.0038621200000000, -0.0022831800000000, 0.0006928800000000 ] - [ 0.0035502100000000, 0.0009001100000000, 0.0013924700000000 ] - [ 0.0033484100000000, 0.0005251200000000, 0.0025027100000000 ] - [ 0.0033813800000000, -0.0008332700000000, 0.0016278100000000 ] - [ -0.0012335300000000, 0.0004744700000000, 0.0008118000000000 ] - [ -0.0006393200000000, 0.0005860800000000, 0.0017712400000000 ] - [ -0.0100488400000000, 0.0803733400000000, 0.0445372200000000 ] - [ 0.0037719600000000, 0.0002294200000000, 0.0002642500000000 ] - [ 0.0009012600000000, -0.0015805300000000, -0.0021229800000000 ] - [ 0.0000271400000000, 0.0023575800000000, -0.0011869600000000 ] - [ 0.0015592900000000, -0.0013813300000000, 0.0012917700000000 ] - [ 0.0012939400000000, -0.0024296000000000, 0.0004001500000000 ] - [ 0.0040705200000000, 0.0185341000000000, -0.0274233500000000 ] - [ 0.0006389000000000, 0.0000970900000000, -0.0015232900000000 ] - [ 0.0034041200000000, -0.0007472900000000, 0.0017195500000000 ] - [ -0.0304851900000000, 0.0271512000000000, -0.0082893400000000 ] - [ -0.0043254400000000, -0.0007364000000000, -0.0004017500000000 ] - [ -0.0033610400000000, -0.0029128200000000, -0.0011214600000000 ] - [ 0.0014509400000000, 0.0009278600000000, 0.0006437400000000 ] - [ 0.0553447500000000, 0.0685212000000000, -0.0043498000000000 ] - [ -0.0017044900000000, 0.0018503300000000, -0.0007360000000000 ] - [ -0.0012107400000000, 0.0015111300000000, -0.0003974700000000 ] - [ -0.0043599700000000, 0.0009279300000000, -0.0007285100000000 ] - [ -0.0033525700000000, 0.0019842000000000, -0.0003760900000000 ] - [ -0.0018098200000000, 0.0008324800000000, -0.0012068800000000 ] - [ -0.0012014200000000, -0.0022108700000000, -0.0004595300000000 ] - [ -0.0006862200000000, -0.0010705400000000, 0.0018085000000000 ] - [ -0.0016244200000000, 0.0006116500000000, 0.0025614600000000 ] - [ -0.0030487900000000, 0.0000852500000000, -0.0015504400000000 ] - [ -0.0033845900000000, -0.0005160800000000, -0.0015303700000000 ] - [ -0.0034805800000000, 0.0000084200000000, -0.0015761600000000 ] - [ -0.0032378500000000, 0.0006425300000000, -0.0014042900000000 ] - [ 0.0035691100000000, -0.0013615900000000, 0.0005169200000000 ] - [ 0.0038506000000000, -0.0019306700000000, 0.0006752500000000 ] - [ 0.0034892200000000, -0.0002542000000000, 0.0014086600000000 ] - [ 0.0034209700000000, -0.0004012000000000, 0.0015190000000000 ] - [ -0.0007804800000000, 0.0011453200000000, 0.0016887800000000 ] - [ -0.0005497900000000, 0.0004175600000000, 0.0015685300000000 ] - [ 0.0036055900000000, 0.0015703700000000, 0.0006838800000000 ] - [ 0.0038232300000000, 0.0016500700000000, 0.0006245200000000 ] - [ 0.0006111500000000, -0.0004377900000000, -0.0015866200000000 ] - [ 0.0007495500000000, -0.0009234300000000, -0.0017110300000000 ] - [ 0.0010942800000000, -0.0018667100000000, 0.0004129800000000 ] - [ 0.0014046000000000, -0.0019781100000000, 0.0005494200000000 ] - [ 0.0005349000000000, 0.0006884700000000, -0.0015912300000000 ] - [ 0.0006166400000000, 0.0006393100000000, -0.0017556000000000 ] - [ 0.0034479900000000, 0.0004332200000000, 0.0016477900000000 ] - [ 0.0034718100000000, 0.0001655600000000, 0.0015911300000000 ] - [ -0.0037141000000000, -0.0018361900000000, -0.0006043100000000 ] - [ -0.0047560800000000, -0.0012267900000000, -0.0016624300000000 ] - [ 0.0010504800000000, 0.0020426200000000, 0.0004396200000000 ] - [ 0.0014257100000000, 0.0016862100000000, 0.0005430700000000 ] - [ -0.0011353600000000, 0.0014614700000000, -0.0005032400000000 ] - [ -0.0012269200000000, 0.0023694200000000, -0.0011057200000000 ] - [ -0.0035713500000000, 0.0019473200000000, -0.0007857300000000 ] - [ -0.0037586700000000, 0.0011483400000000, -0.0004490300000000 ] - [ 0.0003119500000000, -0.0028601900000000, 0.0000723700000000 ] - [ -0.0001254900000000, -0.0029485500000000, -0.0004715500000000 ] - [ 0.0024003800000000, 0.0017912000000000, -0.0007137300000000 ] - [ -0.0005898800000000, 0.0018810900000000, 0.0001518400000000 ] - [ 0.0000480000000000, -0.0031086000000000, -0.0000306600000000 ] - [ -0.0000729700000000, -0.0023148800000000, -0.0000143300000000 ] - [ 0.0014354200000000, 0.0030514200000000, 0.0006207900000000 ] - [ -0.0001464600000000, 0.0022324900000000, 0.0000621600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020343500000000, -0.0000669600000000, 0.0046257700000000 ] - [ 0.0030202600000000, 0.0039782600000000, -0.0022842800000000 ] - [ 0.0002674700000000, 0.0000216900000000, 0.0000775300000000 ] - [ 0.0015480400000000, 0.0041662600000000, -0.0072179700000000 ] - [ 0.0067341900000000, 0.0100907400000000, 0.0008776300000000 ] - [ 0.0001174000000000, -0.0020081800000000, -0.0000107800000000 ] - [ -0.0040395500000000, -0.0100113500000000, -0.0056632300000000 ] - [ 0.0014628500000000, -0.0122951500000000, 0.0036321300000000 ] - [ -0.0047353900000000, 0.0062645100000000, 0.0039740700000000 ] - [ 0.0022732800000000, -0.0032724400000000, 0.0043350100000000 ] - [ -0.0017696500000000, 0.0012626200000000, -0.0032342100000000 ] - [ -0.0028762600000000, 0.0012495200000000, -0.0054180500000000 ] - [ 0.0024802200000000, 0.0019221500000000, 0.0043338700000000 ] - [ 0.0021679100000000, 0.0009948800000000, 0.0042381000000000 ] - [ -0.0007561000000000, 0.0010446200000000, -0.0001105000000000 ] - [ 0.0003690500000000, 0.0003119300000000, -0.0001670200000000 ] - [ -0.0010947900000000, -0.0011429200000000, -0.0002828200000000 ] - [ 0.0007361600000000, -0.0011929800000000, 0.0002432900000000 ] - [ -0.0021349600000000, -0.0006591300000000, -0.0044502400000000 ] - [ -0.0023233200000000, -0.0024012800000000, -0.0042480100000000 ] - [ 0.0035143900000000, -0.0020713500000000, 0.0041149600000000 ] - [ 0.0019382200000000, -0.0019582800000000, 0.0046664500000000 ] - [ -0.0023357400000000, 0.0013749500000000, -0.0043344900000000 ] - [ -0.0026725000000000, 0.0023883500000000, -0.0044797100000000 ] - [ 0.0025166500000000, 0.1890054800000000, 0.0101742500000000 ] - [ -0.0010387300000000, -0.0025423400000000, -0.0006136100000000 ] - [ -0.0010313200000000, -0.0016913600000000, 0.0001875200000000 ] - [ 0.0013136000000000, -0.0016936700000000, 0.0006214500000000 ] - [ -0.0014351700000000, 0.0004013100000000, -0.0006277400000000 ] - [ -0.0015590800000000, 0.0022325600000000, 0.0019803100000000 ] - [ -0.0008487100000000, 0.0010762400000000, 0.0015646400000000 ] - [ 0.0032070100000000, 0.0002615200000000, 0.0009083200000000 ] - [ -0.0013465400000000, -0.0012476500000000, -0.0002894200000000 ] - [ -0.0012346000000000, -0.0012476700000000, -0.0003472600000000 ] - [ 0.0015386300000000, -0.0003987100000000, 0.0000889400000000 ] - [ 0.0014982300000000, -0.0017459900000000, 0.0004929100000000 ] - [ -0.0014150500000000, 0.0014144400000000, -0.0004238600000000 ] - [ -0.0013018900000000, 0.0009235700000000, -0.0002870300000000 ] - [ 0.0013250400000000, 0.0008634200000000, 0.0005217400000000 ] - [ -0.0006869700000000, 0.0035553600000000, -0.0006767700000000 ] - [ -0.0007892000000000, -0.0016453500000000, -0.0005180300000000 ] - [ -0.0014759400000000, -0.0017619100000000, -0.0003824400000000 ] - [ 0.0013129000000000, -0.0003786600000000, 0.0016209100000000 ] - [ -0.0015137100000000, 0.0000131400000000, 0.0015652000000000 ] - [ -0.0022759100000000, 0.0005733100000000, -0.0027867400000000 ] - [ -0.0047990600000000, 0.0002000300000000, -0.0010649300000000 ] - [ -0.0013704300000000, 0.0009034900000000, 0.0003262200000000 ] - [ -0.0033066900000000, 0.0008270900000000, -0.0026511700000000 ] - [ 0.0036901100000000, -0.0010483500000000, 0.0005433500000000 ] - [ 0.0040045400000000, -0.0042282000000000, -0.0001613000000000 ] - [ 0.0035543700000000, -0.0011259300000000, 0.0006404200000000 ] - [ 0.0035276200000000, 0.0002275900000000, 0.0014971700000000 ] - [ -0.0001510500000000, 0.0009719600000000, 0.0025377400000000 ] - [ -0.0007375700000000, 0.0008675000000000, 0.0015837100000000 ] - [ 0.0183595000000000, -0.0798026000000000, -0.0457784500000000 ] - [ 0.0037786200000000, 0.0030962100000000, 0.0009730400000000 ] - [ 0.0004762200000000, 0.0001277400000000, -0.0012358200000000 ] - [ 0.0013525400000000, -0.0038306600000000, -0.0021240700000000 ] - [ 0.0010425300000000, -0.0023506600000000, -0.0002414400000000 ] - [ 0.0013006300000000, -0.0013091600000000, 0.0006184100000000 ] - [ -0.0026827200000000, -0.0168668200000000, 0.0239176300000000 ] - [ 0.0007381900000000, 0.0013510300000000, -0.0018325500000000 ] - [ 0.0035028400000000, 0.0013472900000000, 0.0014113200000000 ] - [ 0.0369495800000000, -0.0266262000000000, 0.0112431400000000 ] - [ -0.0032259700000000, -0.0025910300000000, -0.0008425700000000 ] - [ -0.0041834500000000, -0.0004188100000000, -0.0001167700000000 ] - [ 0.0011452500000000, 0.0028075400000000, 0.0003776200000000 ] - [ -0.0504798100000000, -0.0631139400000000, 0.0051182300000000 ] - [ -0.0008923800000000, 0.0018883100000000, -0.0002813800000000 ] - [ -0.0013841700000000, 0.0022263300000000, -0.0006205500000000 ] - [ -0.0031941700000000, 0.0023983900000000, -0.0005070400000000 ] - [ -0.0041921500000000, 0.0013451600000000, -0.0008568400000000 ] - [ -0.0008174600000000, -0.0045406300000000, 0.0001665200000000 ] - [ -0.0013933700000000, -0.0015255900000000, -0.0005598400000000 ] - [ -0.0006911600000000, -0.0003803000000000, 0.0015488400000000 ] - [ 0.0002385400000000, -0.0020624900000000, 0.0007947000000000 ] - [ -0.0038616400000000, -0.0006903000000000, -0.0015755600000000 ] - [ -0.0035243200000000, -0.0000885400000000, -0.0015954800000000 ] - [ -0.0034286000000000, 0.0005955000000000, -0.0015498000000000 ] - [ -0.0036723400000000, -0.0000384300000000, -0.0017219300000000 ] - [ 0.0039803100000000, -0.0019660100000000, 0.0007194600000000 ] - [ 0.0036996200000000, -0.0013969600000000, 0.0005615300000000 ] - [ 0.0034198000000000, -0.0003494700000000, 0.0017155500000000 ] - [ 0.0034870900000000, -0.0002036700000000, 0.0016062000000000 ] - [ -0.0005969400000000, 0.0003055600000000, 0.0016673000000000 ] - [ -0.0008273600000000, 0.0010322300000000, 0.0017876400000000 ] - [ 0.0039453300000000, 0.0017573300000000, 0.0005525900000000 ] - [ 0.0037267900000000, 0.0016768700000000, 0.0006118900000000 ] - [ 0.0007657500000000, -0.0010122100000000, -0.0017703400000000 ] - [ 0.0006274600000000, -0.0005268200000000, -0.0016461700000000 ] - [ 0.0015000800000000, -0.0018698800000000, 0.0006063500000000 ] - [ 0.0011901900000000, -0.0017582300000000, 0.0004696600000000 ] - [ 0.0008413300000000, 0.0007622900000000, -0.0017648300000000 ] - [ 0.0007604600000000, 0.0008109200000000, -0.0016011900000000 ] - [ 0.0034600800000000, 0.0001713500000000, 0.0014796200000000 ] - [ 0.0034370200000000, 0.0004384300000000, 0.0015349300000000 ] - [ -0.0038362300000000, -0.0014907400000000, -0.0006318800000000 ] - [ -0.0027962000000000, -0.0021033400000000, 0.0004229700000000 ] - [ 0.0015440600000000, 0.0016933500000000, 0.0005796200000000 ] - [ 0.0011689600000000, 0.0020498800000000, 0.0004766800000000 ] - [ -0.0014596700000000, 0.0022745700000000, -0.0005162400000000 ] - [ -0.0013692700000000, 0.0013667500000000, 0.0000883900000000 ] - [ -0.0039850400000000, 0.0013842700000000, -0.0004488100000000 ] - [ -0.0037920400000000, 0.0021783300000000, -0.0007875900000000 ] - [ -0.0003099400000000, -0.0025346500000000, -0.0000751600000000 ] - [ 0.0001237900000000, -0.0024469000000000, 0.0004682100000000 ] - [ -0.0023815800000000, 0.0036058400000000, 0.0007155500000000 ] - [ 0.0005894800000000, 0.0035155800000000, -0.0001548200000000 ] - [ -0.0000463300000000, -0.0022867500000000, 0.0000292600000000 ] - [ 0.0000717000000000, -0.0030798200000000, 0.0000140400000000 ] - [ -0.0014417000000000, 0.0023403900000000, -0.0006205500000000 ] - [ 0.0001456800000000, 0.0031614800000000, -0.0000612400000000 ]- atom: 25 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0022316500000000, 0.0014380000000000, 0.0041387800000000 ] - [ -0.0093836600000000, 0.0093616300000000, 0.0027615500000000 ] - [ -0.0000107100000000, -0.0002971400000000, -0.0002367900000000 ] - [ 0.0100173900000000, 0.0082472600000000, 0.0007585100000000 ] - [ -0.0084328900000000, -0.0021651000000000, 0.0053177000000000 ] - [ -0.0002345600000000, -0.0003688200000000, 0.0001120000000000 ] - [ 0.0004939900000000, 0.0056894400000000, -0.0033139600000000 ] - [ -0.0013231600000000, -0.0069125200000000, -0.0020981600000000 ] - [ 0.0092523600000000, -0.0027714600000000, 0.0127133600000000 ] - [ 0.0024455100000000, -0.0013628800000000, 0.0045178700000000 ] - [ -0.0074471700000000, -0.0078389700000000, 0.0028283300000000 ] - [ -0.0026014100000000, 0.0030435800000000, -0.0046192900000000 ] - [ 0.0029035700000000, 0.0017443500000000, 0.0040580900000000 ] - [ 0.0024463900000000, 0.0018213800000000, 0.0042456700000000 ] - [ -0.0009472400000000, 0.0001044700000000, 0.0006520700000000 ] - [ -0.0001092000000000, 0.0006114500000000, -0.0003356300000000 ] - [ 0.0006414400000000, -0.0002914200000000, 0.0000774500000000 ] - [ 0.0001912100000000, -0.0010247800000000, 0.0000249200000000 ] - [ -0.0023576100000000, -0.0017631900000000, -0.0044842400000000 ] - [ -0.0023527600000000, -0.0016621100000000, -0.0043439900000000 ] - [ 0.0013103600000000, -0.0014293000000000, 0.0044573500000000 ] - [ 0.0024226300000000, -0.0016947600000000, 0.0044318400000000 ] - [ -0.0023064400000000, 0.0017403700000000, -0.0042080400000000 ] - [ -0.0024528000000000, 0.0021166800000000, -0.0043191900000000 ] - [ 0.0257878300000000, -0.0074545400000000, -0.2032976200000000 ] - [ -0.0012362000000000, -0.0008669400000000, -0.0008704000000000 ] - [ 0.0016202900000000, -0.0008955900000000, 0.0014617400000000 ] - [ 0.0014376600000000, -0.0009905200000000, 0.0014374200000000 ] - [ -0.0014208100000000, 0.0009078500000000, 0.0008221700000000 ] - [ -0.0019173600000000, 0.0034902700000000, 0.0069726200000000 ] - [ 0.0014831700000000, -0.0003378700000000, -0.0031495900000000 ] - [ 0.0006060200000000, 0.0008758500000000, 0.0001255300000000 ] - [ -0.0013721100000000, -0.0011566200000000, -0.0004550200000000 ] - [ -0.0012804300000000, -0.0012308100000000, -0.0004417500000000 ] - [ 0.0015225300000000, -0.0014580200000000, 0.0012522200000000 ] - [ 0.0011919500000000, -0.0010507000000000, 0.0003777100000000 ] - [ -0.0011698400000000, 0.0011070300000000, -0.0000492900000000 ] - [ -0.0013041500000000, 0.0012260700000000, -0.0003145400000000 ] - [ 0.0011946900000000, 0.0009956300000000, -0.0000165500000000 ] - [ 0.0008931400000000, 0.0018975900000000, 0.0002846300000000 ] - [ -0.0012679900000000, -0.0015311400000000, 0.0000228500000000 ] - [ -0.0016718200000000, -0.0012609600000000, 0.0014122500000000 ] - [ -0.0024831700000000, -0.0016053400000000, 0.0025123600000000 ] - [ -0.0007649800000000, -0.0006328600000000, 0.0018402700000000 ] - [ -0.0037073900000000, 0.0008926000000000, 0.0005505300000000 ] - [ -0.0032258900000000, -0.0003343800000000, -0.0002355500000000 ] - [ -0.0032699700000000, 0.0005215200000000, -0.0034443700000000 ] - [ -0.0033664000000000, 0.0003820400000000, -0.0022195400000000 ] - [ 0.0036540700000000, -0.0007531800000000, 0.0001746700000000 ] - [ 0.0045086100000000, -0.0041853600000000, -0.0024122100000000 ] - [ 0.0049103700000000, -0.0005081200000000, -0.0020570500000000 ] - [ 0.0035392600000000, -0.0002471400000000, 0.0012964200000000 ] - [ 0.0000188100000000, 0.0011343300000000, 0.0011010600000000 ] - [ -0.0005002400000000, 0.0000243700000000, 0.0011242000000000 ] - [ -0.0127066100000000, 0.0490333900000000, 0.0427260300000000 ] - [ 0.0037590000000000, 0.0017498000000000, 0.0007443000000000 ] - [ 0.0008628800000000, -0.0013107400000000, -0.0025008400000000 ] - [ 0.0005576600000000, -0.0021976200000000, -0.0037338200000000 ] - [ 0.0012693100000000, -0.0025113100000000, -0.0037839600000000 ] - [ 0.0013280300000000, -0.0018552300000000, 0.0001702900000000 ] - [ -0.0033640900000000, -0.0256660000000000, 0.1062761600000000 ] - [ 0.0007338100000000, 0.0005779200000000, -0.0012472700000000 ] - [ 0.0031170900000000, -0.0001568400000000, 0.0024095600000000 ] - [ 0.0157180300000000, -0.0046935500000000, 0.0189491100000000 ] - [ -0.0015252200000000, -0.0001478800000000, 0.0005109400000000 ] - [ -0.0035833500000000, -0.0016736900000000, -0.0004346300000000 ] - [ 0.0013820900000000, 0.0014778100000000, 0.0009678400000000 ] - [ -0.0142712800000000, -0.0113249900000000, 0.0148932700000000 ] - [ -0.0015510900000000, 0.0015040200000000, -0.0012613500000000 ] - [ -0.0012002300000000, 0.0017448000000000, -0.0007640300000000 ] - [ -0.0041908800000000, 0.0014823800000000, -0.0011959300000000 ] - [ -0.0043544000000000, 0.0011355500000000, -0.0002798200000000 ] - [ -0.0015900900000000, -0.0024359900000000, 0.0004638900000000 ] - [ -0.0012343800000000, -0.0019268900000000, -0.0003579900000000 ] - [ -0.0006609700000000, -0.0008634900000000, 0.0018670300000000 ] - [ -0.0004564900000000, -0.0005692100000000, 0.0023000100000000 ] - [ -0.0035821000000000, -0.0003689000000000, -0.0015564600000000 ] - [ -0.0034955800000000, -0.0002220300000000, -0.0014961400000000 ] - [ -0.0034392400000000, 0.0002219400000000, -0.0016485800000000 ] - [ -0.0034539500000000, 0.0003974200000000, -0.0017294300000000 ] - [ 0.0037480000000000, -0.0015845200000000, 0.0004628900000000 ] - [ 0.0037542100000000, -0.0016780700000000, 0.0005948000000000 ] - [ 0.0034269600000000, -0.0002842200000000, 0.0014128300000000 ] - [ 0.0034970400000000, -0.0002924600000000, 0.0015685100000000 ] - [ -0.0013141500000000, 0.0009376800000000, 0.0012230900000000 ] - [ -0.0007250300000000, 0.0006666800000000, 0.0015003100000000 ] - [ 0.0037369600000000, 0.0017173600000000, 0.0007617100000000 ] - [ 0.0038210600000000, 0.0017637600000000, 0.0006447300000000 ] - [ 0.0007117800000000, -0.0007042200000000, -0.0017914200000000 ] - [ 0.0006770700000000, -0.0007637900000000, -0.0017286300000000 ] - [ 0.0011797000000000, -0.0018414600000000, 0.0002514200000000 ] - [ 0.0013014400000000, -0.0018831200000000, 0.0004385800000000 ] - [ 0.0007710000000000, 0.0007760400000000, -0.0015405900000000 ] - [ 0.0006386300000000, 0.0006954300000000, -0.0016083600000000 ] - [ 0.0034723700000000, 0.0003291900000000, 0.0016944300000000 ] - [ 0.0034483200000000, 0.0003024500000000, 0.0015967400000000 ] - [ -0.0037930900000000, -0.0014298600000000, -0.0003870600000000 ] - [ -0.0039261800000000, -0.0017616300000000, 0.0007636100000000 ] - [ 0.0013595700000000, 0.0019383500000000, 0.0007173000000000 ] - [ 0.0013215100000000, 0.0018038000000000, 0.0005573400000000 ] - [ -0.0011879900000000, 0.0017157200000000, -0.0006510100000000 ] - [ -0.0012989900000000, 0.0020222800000000, -0.0014015000000000 ] - [ -0.0032854700000000, 0.0017519400000000, -0.0011665200000000 ] - [ -0.0037569600000000, 0.0015944800000000, -0.0006242800000000 ] - [ -0.0010085500000000, -0.0011267200000000, -0.0000667200000000 ] - [ -0.0000532900000000, -0.0035163800000000, 0.0005606400000000 ] - [ 0.0022447700000000, 0.0018559800000000, -0.0011180600000000 ] - [ 0.0000489000000000, 0.0021432300000000, 0.0001736000000000 ] - [ 0.0000497800000000, -0.0026687300000000, -0.0000052100000000 ] - [ 0.0005345400000000, -0.0026476400000000, -0.0000871400000000 ] - [ -0.0002115000000000, 0.0029031100000000, -0.0000079100000000 ] - [ -0.0000569000000000, 0.0025734500000000, 0.0000323500000000 ]- atom: 25 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ 0.0024561300000000, 0.0020839700000000, 0.0044691900000000 ] - [ 0.0139942100000000, -0.0057953400000000, 0.0058371500000000 ] - [ 0.0000102400000000, 0.0015765900000000, 0.0002366000000000 ] - [ -0.0099559700000000, -0.0069321600000000, -0.0007441500000000 ] - [ 0.0084872900000000, 0.0008665800000000, -0.0053344700000000 ] - [ 0.0002337900000000, -0.0009216800000000, -0.0001120000000000 ] - [ -0.0051693400000000, -0.0092132100000000, -0.0053175900000000 ] - [ -0.0033740300000000, 0.0033844900000000, -0.0064620800000000 ] - [ -0.0046432300000000, -0.0007632500000000, -0.0041351000000000 ] - [ 0.0022436900000000, -0.0021669700000000, 0.0040902400000000 ] - [ 0.0027589000000000, 0.0113786600000000, -0.0113746700000000 ] - [ -0.0020922600000000, 0.0004973200000000, -0.0039888700000000 ] - [ 0.0017896800000000, 0.0017868600000000, 0.0045444500000000 ] - [ 0.0022450700000000, 0.0017067200000000, 0.0043596400000000 ] - [ 0.0009407300000000, 0.0011804700000000, -0.0006482500000000 ] - [ 0.0001093900000000, 0.0006750200000000, 0.0003340600000000 ] - [ -0.0006425400000000, -0.0009967100000000, -0.0000790900000000 ] - [ -0.0001842500000000, -0.0002710800000000, -0.0000200600000000 ] - [ -0.0023301600000000, -0.0017633500000000, -0.0041224300000000 ] - [ -0.0023366900000000, -0.0018665100000000, -0.0042614700000000 ] - [ 0.0033758500000000, -0.0020973500000000, 0.0041492600000000 ] - [ 0.0022654500000000, -0.0018336100000000, 0.0041756400000000 ] - [ -0.0023826400000000, 0.0017881900000000, -0.0043974700000000 ] - [ -0.0022373600000000, 0.0014138400000000, -0.0042869300000000 ] - [ -0.0284456100000000, 0.0087818800000000, 0.1972582000000000 ] - [ -0.0013441800000000, -0.0014916200000000, 0.0001864400000000 ] - [ 0.0009595200000000, -0.0014604100000000, -0.0007822400000000 ] - [ 0.0011426400000000, -0.0013668500000000, -0.0007541200000000 ] - [ -0.0011588400000000, 0.0014486000000000, -0.0014992500000000 ] - [ -0.0006595600000000, -0.0011931400000000, -0.0077106900000000 ] - [ 0.0010954300000000, 0.0026954400000000, 0.0038146300000000 ] - [ 0.0019702500000000, 0.0014769200000000, 0.0005491900000000 ] - [ -0.0012084700000000, -0.0011995700000000, -0.0002253400000000 ] - [ -0.0013000900000000, -0.0011271700000000, -0.0002384200000000 ] - [ 0.0010585400000000, -0.0009026800000000, -0.0005685600000000 ] - [ 0.0013879800000000, -0.0013067600000000, 0.0003032900000000 ] - [ -0.0014101200000000, 0.0012507700000000, -0.0006282700000000 ] - [ -0.0012753200000000, 0.0011308700000000, -0.0003642400000000 ] - [ 0.0013843500000000, 0.0013596200000000, 0.0006941800000000 ] - [ 0.0016770000000000, 0.0004602000000000, 0.0003918800000000 ] - [ -0.0013150200000000, -0.0021958200000000, -0.0010378100000000 ] - [ -0.0009129000000000, -0.0024674700000000, -0.0024168900000000 ] - [ 0.0011176600000000, 0.0001522900000000, 0.0008484400000000 ] - [ -0.0006129000000000, -0.0008200600000000, 0.0015173100000000 ] - [ -0.0031976500000000, -0.0014792600000000, -0.0036814100000000 ] - [ -0.0036836700000000, -0.0002792800000000, -0.0028803600000000 ] - [ -0.0036432500000000, 0.0000882300000000, 0.0003136200000000 ] - [ -0.0035476800000000, 0.0002222100000000, -0.0009142700000000 ] - [ 0.0038921200000000, -0.0025826800000000, 0.0010530700000000 ] - [ 0.0030432400000000, 0.0008261800000000, 0.0036264800000000 ] - [ 0.0020073600000000, -0.0000893900000000, 0.0051857000000000 ] - [ 0.0033783400000000, -0.0003572900000000, 0.0018265200000000 ] - [ -0.0013965300000000, 0.0003216100000000, 0.0022491600000000 ] - [ -0.0008731200000000, 0.0014287400000000, 0.0022244200000000 ] - [ 0.0205606800000000, -0.0475258700000000, -0.0422115200000000 ] - [ 0.0037862500000000, 0.0015899100000000, 0.0004860100000000 ] - [ 0.0005127800000000, -0.0001462800000000, -0.0008565100000000 ] - [ 0.0008264700000000, 0.0007786100000000, 0.0004137400000000 ] - [ 0.0013353200000000, -0.0012124300000000, 0.0048694400000000 ] - [ 0.0012572600000000, -0.0018755000000000, 0.0008451400000000 ] - [ 0.0044563400000000, 0.0255495700000000, -0.1040315800000000 ] - [ 0.0006427900000000, 0.0008786200000000, -0.0021052200000000 ] - [ 0.0037975700000000, 0.0007603700000000, 0.0007205700000000 ] - [ -0.0085450100000000, 0.0051758500000000, -0.0156236800000000 ] - [ -0.0059927900000000, -0.0031688700000000, -0.0017363000000000 ] - [ -0.0039609500000000, -0.0016613300000000, -0.0007920900000000 ] - [ 0.0012036300000000, 0.0022530100000000, 0.0000516600000000 ] - [ 0.0166241700000000, 0.0148271400000000, -0.0136828900000000 ] - [ -0.0010344300000000, 0.0022260000000000, 0.0002448200000000 ] - [ -0.0013839600000000, 0.0019846300000000, -0.0002531400000000 ] - [ -0.0033552200000000, 0.0018524900000000, -0.0000339600000000 ] - [ -0.0031870400000000, 0.0021947200000000, -0.0009470300000000 ] - [ -0.0010110600000000, -0.0012921400000000, -0.0014732800000000 ] - [ -0.0013512500000000, -0.0018029700000000, -0.0006580800000000 ] - [ -0.0007153700000000, -0.0005935700000000, 0.0014890900000000 ] - [ -0.0009155900000000, -0.0008888600000000, 0.0010527900000000 ] - [ -0.0033333900000000, -0.0002350600000000, -0.0015675600000000 ] - [ -0.0034219500000000, -0.0003819500000000, -0.0016284500000000 ] - [ -0.0034775200000000, 0.0003826800000000, -0.0014766400000000 ] - [ -0.0034650300000000, 0.0002071900000000, -0.0013973000000000 ] - [ 0.0037978400000000, -0.0017512900000000, 0.0007656400000000 ] - [ 0.0037913400000000, -0.0016567600000000, 0.0006335300000000 ] - [ 0.0034893500000000, -0.0003209200000000, 0.0017116000000000 ] - [ 0.0034199500000000, -0.0003119500000000, 0.0015560300000000 ] - [ -0.0000669100000000, 0.0005211500000000, 0.0021289100000000 ] - [ -0.0006517900000000, 0.0007897500000000, 0.0018542100000000 ] - [ 0.0038097700000000, 0.0016180000000000, 0.0004663300000000 ] - [ 0.0037249700000000, 0.0015729800000000, 0.0005837000000000 ] - [ 0.0006647400000000, -0.0007530800000000, -0.0015644800000000 ] - [ 0.0006989800000000, -0.0006920500000000, -0.0016264600000000 ] - [ 0.0014055700000000, -0.0018878400000000, 0.0007647800000000 ] - [ 0.0012845200000000, -0.0018468300000000, 0.0005776600000000 ] - [ 0.0006061100000000, 0.0006805800000000, -0.0018138000000000 ] - [ 0.0007373500000000, 0.0007614300000000, -0.0017461200000000 ] - [ 0.0034446100000000, 0.0002752100000000, 0.0014308300000000 ] - [ 0.0034681100000000, 0.0003026200000000, 0.0015284000000000 ] - [ -0.0037535900000000, -0.0019042000000000, -0.0008396700000000 ] - [ -0.0036224300000000, -0.0015737000000000, -0.0019820700000000 ] - [ 0.0012279600000000, 0.0017911800000000, 0.0003004500000000 ] - [ 0.0012645700000000, 0.0019252100000000, 0.0004605800000000 ] - [ -0.0013978200000000, 0.0020145500000000, -0.0003664900000000 ] - [ -0.0012896900000000, 0.0017106900000000, 0.0003815100000000 ] - [ -0.0042587500000000, 0.0015836900000000, -0.0000623200000000 ] - [ -0.0037887700000000, 0.0017415000000000, -0.0006049900000000 ] - [ 0.0009998200000000, -0.0042509600000000, 0.0000623600000000 ] - [ 0.0000501000000000, -0.0018862400000000, -0.0005591300000000 ] - [ -0.0022327400000000, 0.0035365300000000, 0.0011213600000000 ] - [ -0.0000443600000000, 0.0032528200000000, -0.0001768100000000 ] - [ -0.0000490100000000, -0.0027255300000000, 0.0000045500000000 ] - [ -0.0005313900000000, -0.0027470300000000, 0.0000863100000000 ] - [ 0.0002006800000000, 0.0024910000000000, 0.0000050100000000 ] - [ 0.0000567800000000, 0.0028219400000000, -0.0000317100000000 ]- atom: 41 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0183952800000000, -0.0043283300000000, 0.0118691200000000 ] - [ 0.0025823500000000, 0.0011405800000000, 0.0042437300000000 ] - [ -0.0012881600000000, 0.0010697000000000, -0.0003145400000000 ] - [ -0.0007104100000000, 0.0006129700000000, -0.0000642900000000 ] - [ -0.0009022300000000, -0.0007147700000000, -0.0001004900000000 ] - [ -0.0010173400000000, -0.0006210600000000, 0.0000918200000000 ] - [ -0.0030949200000000, -0.0015356400000000, -0.0018110600000000 ] - [ -0.0022774600000000, -0.0015520400000000, -0.0042757700000000 ] - [ 0.0022782600000000, -0.0026346300000000, 0.0048485400000000 ] - [ 0.0033581100000000, -0.0014962500000000, 0.0046164800000000 ] - [ -0.0019920800000000, 0.0002792900000000, -0.0066662500000000 ] - [ -0.0022994500000000, 0.0022508300000000, -0.0043059700000000 ] - [ 0.0009073500000000, 0.0022035600000000, 0.0045196100000000 ] - [ 0.0020587500000000, 0.0017895100000000, 0.0042217000000000 ] - [ 0.0004507800000000, 0.0043696300000000, 0.0035144500000000 ] - [ 0.0006303500000000, 0.0000830500000000, -0.0000511300000000 ] - [ 0.0029510300000000, -0.0000982000000000, -0.0042291700000000 ] - [ 0.0005066600000000, -0.0005779300000000, 0.0000429200000000 ] - [ -0.0030829300000000, -0.0006977200000000, -0.0051982300000000 ] - [ -0.0026687400000000, -0.0025609100000000, -0.0043943800000000 ] - [ 0.0013860000000000, -0.0017875800000000, 0.0037538000000000 ] - [ 0.0020643400000000, -0.0015691500000000, 0.0042769800000000 ] - [ -0.0029938800000000, 0.0008379400000000, -0.0040267400000000 ] - [ -0.0023218300000000, 0.0021955700000000, -0.0042758500000000 ] - [ -0.0014050100000000, -0.0016822800000000, -0.0003378100000000 ] - [ -0.0021337100000000, -0.0010008700000000, -0.0008435500000000 ] - [ 0.0015096800000000, -0.0014367000000000, 0.0003300600000000 ] - [ 0.0015769400000000, -0.0011719000000000, 0.0004234800000000 ] - [ -0.0015981500000000, 0.0015809400000000, -0.0006570400000000 ] - [ -0.0014683500000000, 0.0010889600000000, -0.0002825900000000 ] - [ 0.0719004400000000, 0.0552691300000000, -0.0053170900000000 ] - [ 0.0014077500000000, 0.0013289500000000, 0.0004576300000000 ] - [ -0.0026784200000000, -0.0016726700000000, -0.0008361200000000 ] - [ -0.0013625600000000, -0.0010803500000000, -0.0002991000000000 ] - [ 0.0009892600000000, -0.0009732400000000, 0.0001903000000000 ] - [ 0.0007909400000000, -0.0012833500000000, 0.0002848000000000 ] - [ -0.0015756000000000, 0.0011073000000000, -0.0003987300000000 ] - [ -0.0012104400000000, 0.0010143300000000, -0.0002325800000000 ] - [ 0.0009069900000000, 0.0009293300000000, 0.0003608400000000 ] - [ 0.0007122000000000, 0.0013036800000000, 0.0002936700000000 ] - [ -0.1154528900000000, -0.0545660500000000, -0.0061574400000000 ] - [ -0.0015502100000000, -0.0019161600000000, -0.0005733800000000 ] - [ 0.0003064400000000, 0.0043795200000000, -0.0023821700000000 ] - [ -0.0009102300000000, -0.0008509100000000, 0.0016935800000000 ] - [ 0.0083025300000000, 0.0041431100000000, 0.0006363800000000 ] - [ -0.0035642800000000, -0.0002599100000000, -0.0015906600000000 ] - [ -0.0036060600000000, 0.0003424200000000, -0.0017441500000000 ] - [ -0.0036000200000000, 0.0001088600000000, -0.0015393000000000 ] - [ 0.0039871900000000, -0.0019898600000000, 0.0008157100000000 ] - [ 0.0038714000000000, -0.0016194100000000, 0.0006243400000000 ] - [ 0.0035030000000000, -0.0000691300000000, 0.0015808000000000 ] - [ 0.0032149400000000, -0.0009645500000000, 0.0029758100000000 ] - [ -0.0013693400000000, 0.0013819300000000, 0.0042751000000000 ] - [ -0.0009326400000000, 0.0007762200000000, 0.0016715400000000 ] - [ 0.0038889300000000, 0.0020727100000000, 0.0005412500000000 ] - [ 0.0043161400000000, 0.0008557300000000, 0.0002321900000000 ] - [ 0.0007752700000000, -0.0009233800000000, -0.0016440800000000 ] - [ 0.0008806400000000, -0.0006356700000000, -0.0016625900000000 ] - [ 0.0015620500000000, -0.0016818400000000, 0.0006856200000000 ] - [ 0.0015623500000000, -0.0020503000000000, 0.0006529800000000 ] - [ 0.0007643900000000, 0.0010723600000000, -0.0017692400000000 ] - [ 0.0013641500000000, 0.0002961000000000, -0.0017834600000000 ] - [ 0.0066933800000000, -0.0020183900000000, 0.0004379000000000 ] - [ 0.0034543200000000, 0.0003842500000000, 0.0015855700000000 ] - [ -0.0050165200000000, 0.0009058200000000, -0.0001319000000000 ] - [ -0.0040183600000000, -0.0021537100000000, -0.0007565500000000 ] - [ 0.0017290300000000, 0.0014504500000000, 0.0003758300000000 ] - [ 0.0015208200000000, 0.0019438800000000, 0.0005442100000000 ] - [ -0.0021460800000000, 0.0018944100000000, -0.0011492200000000 ] - [ -0.0016423700000000, 0.0018118300000000, -0.0006270400000000 ] - [ -0.0044742400000000, 0.0017354500000000, -0.0003959600000000 ] - [ -0.0039582700000000, 0.0017783700000000, -0.0006401900000000 ] - [ -0.0008957000000000, -0.0019693100000000, -0.0003133500000000 ] - [ -0.0008945100000000, -0.0018403200000000, -0.0004239100000000 ] - [ -0.0001810500000000, -0.0004618500000000, 0.0016702500000000 ] - [ -0.0002431800000000, -0.0008467100000000, 0.0015986400000000 ] - [ -0.0030381600000000, -0.0005073700000000, -0.0016727200000000 ] - [ -0.0032658600000000, -0.0001940200000000, -0.0015621200000000 ] - [ -0.0031600700000000, 0.0005260300000000, -0.0014732800000000 ] - [ -0.0033848300000000, 0.0000897500000000, -0.0012118200000000 ] - [ 0.0044621400000000, -0.0019182100000000, 0.0005333900000000 ] - [ 0.0038052300000000, -0.0013845700000000, 0.0005331500000000 ] - [ 0.0038159800000000, -0.0001457200000000, 0.0015145300000000 ] - [ 0.0035434300000000, -0.0002884300000000, 0.0015661100000000 ] - [ -0.0003898500000000, 0.0005643600000000, 0.0016482900000000 ] - [ -0.0003352100000000, 0.0007611700000000, 0.0017751100000000 ] - [ 0.0066275200000000, 0.0024647600000000, 0.0029133100000000 ] - [ 0.0037162600000000, 0.0014596400000000, 0.0005844700000000 ] - [ 0.0007892900000000, -0.0007783800000000, -0.0016542100000000 ] - [ 0.0006536200000000, -0.0006570500000000, -0.0016501200000000 ] - [ 0.0015810700000000, -0.0017238700000000, 0.0008599500000000 ] - [ 0.0011429300000000, -0.0018973000000000, 0.0004432400000000 ] - [ 0.0047618900000000, 0.0002016000000000, -0.0029329000000000 ] - [ 0.0007091300000000, 0.0006703600000000, -0.0016518700000000 ] - [ 0.0037068900000000, 0.0003085400000000, 0.0016369400000000 ] - [ 0.0035298200000000, 0.0003372700000000, 0.0015686500000000 ] - [ -0.0032134400000000, -0.0013558100000000, -0.0005961500000000 ] - [ -0.0035217200000000, -0.0018461600000000, -0.0006988200000000 ] - [ 0.0071387200000000, -0.0059707100000000, 0.0046597300000000 ] - [ 0.0012033900000000, 0.0018984700000000, 0.0004870100000000 ] - [ -0.0009012200000000, 0.0019770300000000, -0.0003325000000000 ] - [ -0.0009851700000000, 0.0018097800000000, -0.0004172700000000 ] - [ -0.0034018900000000, 0.0015246900000000, -0.0004522000000000 ] - [ -0.0035004700000000, 0.0017183200000000, -0.0005996900000000 ] - [ 0.0013833200000000, -0.0026679700000000, 0.0003429900000000 ] - [ 0.0002467100000000, -0.0027708300000000, -0.0000474400000000 ] - [ 0.0004926700000000, 0.0027668600000000, -0.0000757700000000 ] - [ 0.0003568900000000, 0.0025720500000000, -0.0000881200000000 ] - [ 0.0004117400000000, -0.0006998200000000, -0.0013680200000000 ] - [ -0.0005712200000000, -0.0032797800000000, 0.0001673700000000 ] - [ -0.0004730700000000, 0.0026468100000000, 0.0000889600000000 ] - [ -0.0004592800000000, 0.0032929100000000, 0.0004272300000000 ]- atom: 41 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ -0.0134276100000000, 0.0075685800000000, -0.0029735300000000 ] - [ 0.0021111300000000, 0.0023981100000000, 0.0043619900000000 ] - [ 0.0012921000000000, 0.0002196500000000, 0.0003135800000000 ] - [ 0.0007138900000000, 0.0006725700000000, 0.0000648300000000 ] - [ 0.0009074000000000, -0.0005694900000000, 0.0001009700000000 ] - [ 0.0010195800000000, -0.0006648200000000, -0.0000913300000000 ] - [ -0.0015849600000000, -0.0019943200000000, -0.0067847300000000 ] - [ -0.0024159700000000, -0.0019786600000000, -0.0043289200000000 ] - [ 0.0024153400000000, -0.0008852700000000, 0.0037511900000000 ] - [ 0.0013388500000000, -0.0020418800000000, 0.0039828500000000 ] - [ -0.0026897800000000, 0.0032444900000000, -0.0019497000000000 ] - [ -0.0023955400000000, 0.0012800100000000, -0.0042969800000000 ] - [ 0.0037876000000000, 0.0013234700000000, 0.0040841600000000 ] - [ 0.0026368400000000, 0.0017410700000000, 0.0043837400000000 ] - [ -0.0004988400000000, -0.0030517100000000, -0.0034909200000000 ] - [ -0.0006340800000000, 0.0012081800000000, 0.0000530500000000 ] - [ -0.0029999600000000, -0.0011761300000000, 0.0042125300000000 ] - [ -0.0005088300000000, -0.0007078700000000, -0.0000429700000000 ] - [ -0.0016126600000000, -0.0028282100000000, -0.0034041800000000 ] - [ -0.0020289400000000, -0.0009676400000000, -0.0042081400000000 ] - [ 0.0033073400000000, -0.0017453500000000, 0.0048510200000000 ] - [ 0.0026303000000000, -0.0019632800000000, 0.0043266700000000 ] - [ -0.0016999400000000, 0.0026959000000000, -0.0045813700000000 ] - [ -0.0023747000000000, 0.0013356800000000, -0.0043288600000000 ] - [ -0.0011703200000000, -0.0006667300000000, -0.0003469200000000 ] - [ -0.0004314700000000, -0.0013568700000000, 0.0001600600000000 ] - [ 0.0010567300000000, -0.0009122800000000, 0.0003618200000000 ] - [ 0.0009991600000000, -0.0011783500000000, 0.0002620000000000 ] - [ -0.0009816900000000, 0.0007661000000000, -0.0000296300000000 ] - [ -0.0011044400000000, 0.0012622500000000, -0.0004030400000000 ] - [ -0.0676114000000000, -0.0505129000000000, 0.0057530000000000 ] - [ 0.0011677900000000, 0.0010216200000000, 0.0002284400000000 ] - [ 0.0000940500000000, -0.0006740100000000, 0.0001468500000000 ] - [ -0.0012136400000000, -0.0012720600000000, -0.0003869700000000 ] - [ 0.0015886000000000, -0.0013791300000000, 0.0004964600000000 ] - [ 0.0017851100000000, -0.0010679300000000, 0.0004010100000000 ] - [ -0.0010051300000000, 0.0012431400000000, -0.0002887600000000 ] - [ -0.0013662100000000, 0.0013378400000000, -0.0004553500000000 ] - [ 0.0016691500000000, 0.0014230700000000, 0.0003254400000000 ] - [ 0.0018656800000000, 0.0010461200000000, 0.0003907500000000 ] - [ 0.1109600500000000, 0.0485751800000000, 0.0051212300000000 ] - [ -0.0010214900000000, -0.0018048100000000, -0.0004403800000000 ] - [ -0.0017124100000000, -0.0058298500000000, 0.0057389800000000 ] - [ -0.0004646700000000, -0.0006110600000000, 0.0016603600000000 ] - [ -0.0150134400000000, -0.0046888900000000, -0.0037111800000000 ] - [ -0.0033626800000000, -0.0003453900000000, -0.0015328900000000 ] - [ -0.0033249100000000, 0.0002602900000000, -0.0013819000000000 ] - [ -0.0033263800000000, 0.0004963400000000, -0.0015843300000000 ] - [ 0.0035487400000000, -0.0013554500000000, 0.0003971600000000 ] - [ 0.0036691100000000, -0.0017265300000000, 0.0005972300000000 ] - [ 0.0034221700000000, -0.0005360400000000, 0.0015407700000000 ] - [ 0.0037098000000000, 0.0003565500000000, 0.0001585800000000 ] - [ -0.0000099800000000, 0.0000760000000000, -0.0009431300000000 ] - [ -0.0004413400000000, 0.0006864500000000, 0.0016816900000000 ] - [ 0.0036468100000000, 0.0012691900000000, 0.0006779400000000 ] - [ 0.0032251200000000, 0.0024886100000000, 0.0009871700000000 ] - [ 0.0005989900000000, -0.0005379700000000, -0.0017071700000000 ] - [ 0.0004933200000000, -0.0008274700000000, -0.0016916100000000 ] - [ 0.0010108400000000, -0.0020394000000000, 0.0003280400000000 ] - [ 0.0010108600000000, -0.0016713500000000, 0.0003598200000000 ] - [ 0.0006066300000000, 0.0003888900000000, -0.0015858900000000 ] - [ 0.0000037800000000, 0.0011707500000000, -0.0015714400000000 ] - [ 0.0002578400000000, 0.0025930200000000, 0.0026702900000000 ] - [ 0.0034715700000000, 0.0002192000000000, 0.0015380600000000 ] - [ -0.0025426700000000, -0.0042564300000000, -0.0010943400000000 ] - [ -0.0035206800000000, -0.0011887600000000, -0.0004638300000000 ] - [ 0.0008377100000000, 0.0022697700000000, 0.0006365900000000 ] - [ 0.0010512400000000, 0.0017765600000000, 0.0004683000000000 ] - [ -0.0004266600000000, 0.0018260800000000, 0.0001386300000000 ] - [ -0.0009298100000000, 0.0019085700000000, -0.0003849900000000 ] - [ -0.0030698700000000, 0.0016096300000000, -0.0008228000000000 ] - [ -0.0035818800000000, 0.0015655000000000, -0.0005808000000000 ] - [ -0.0016814000000000, -0.0017521700000000, -0.0007020500000000 ] - [ -0.0016810900000000, -0.0018815500000000, -0.0005898700000000 ] - [ -0.0011969400000000, -0.0010030600000000, 0.0016825400000000 ] - [ -0.0011347800000000, -0.0006154900000000, 0.0017549900000000 ] - [ -0.0038892500000000, -0.0000974000000000, -0.0014504500000000 ] - [ -0.0036616100000000, -0.0004112700000000, -0.0015620700000000 ] - [ -0.0037663500000000, 0.0000785800000000, -0.0016499000000000 ] - [ -0.0035416800000000, 0.0005161500000000, -0.0019148500000000 ] - [ 0.0030841900000000, -0.0014291900000000, 0.0006857600000000 ] - [ 0.0037359600000000, -0.0019618700000000, 0.0006880100000000 ] - [ 0.0031116300000000, -0.0004590200000000, 0.0016118900000000 ] - [ 0.0033838300000000, -0.0003168400000000, 0.0015580100000000 ] - [ -0.0009859600000000, 0.0008988800000000, 0.0017056600000000 ] - [ -0.0010410200000000, 0.0007020600000000, 0.0015786300000000 ] - [ 0.0008707100000000, 0.0008703200000000, -0.0017344900000000 ] - [ 0.0038254400000000, 0.0018869800000000, 0.0006361700000000 ] - [ 0.0005929400000000, -0.0006906800000000, -0.0016966300000000 ] - [ 0.0007225600000000, -0.0008049400000000, -0.0017019900000000 ] - [ 0.0009959900000000, -0.0019974000000000, 0.0001576000000000 ] - [ 0.0014320900000000, -0.0018241600000000, 0.0005699200000000 ] - [ -0.0034540700000000, 0.0012725600000000, -0.0003893200000000 ] - [ 0.0006664600000000, 0.0007929800000000, -0.0017014400000000 ] - [ 0.0032280200000000, 0.0002955200000000, 0.0014881800000000 ] - [ 0.0033965800000000, 0.0002682300000000, 0.0015544000000000 ] - [ -0.0043308600000000, -0.0019912000000000, -0.0006246700000000 ] - [ -0.0040209900000000, -0.0014965800000000, -0.0005204300000000 ] - [ -0.0046042100000000, 0.0097896300000000, -0.0036899100000000 ] - [ 0.0013709500000000, 0.0018233600000000, 0.0005259700000000 ] - [ -0.0016739800000000, 0.0017435300000000, -0.0006811800000000 ] - [ -0.0015903000000000, 0.0019120200000000, -0.0005960900000000 ] - [ -0.0041409000000000, 0.0018192100000000, -0.0007692500000000 ] - [ -0.0040415000000000, 0.0016256600000000, -0.0006211700000000 ] - [ -0.0013791800000000, -0.0027294600000000, -0.0003419600000000 ] - [ -0.0002480100000000, -0.0026244600000000, 0.0000465100000000 ] - [ -0.0004951600000000, 0.0026299100000000, 0.0000762300000000 ] - [ -0.0003575500000000, 0.0028244200000000, 0.0000885000000000 ] - [ -0.0004187400000000, -0.0047171600000000, 0.0013844600000000 ] - [ 0.0005723700000000, -0.0021150500000000, -0.0001683300000000 ] - [ 0.0004752400000000, 0.0027486600000000, -0.0000886200000000 ] - [ 0.0004643900000000, 0.0021101800000000, -0.0004230300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034008600000000, 0.0091248500000000, 0.0010150400000000 ] - [ 0.0017793000000000, -0.0017574500000000, 0.0043206500000000 ] - [ 0.0006454700000000, 0.0010231700000000, 0.0000299400000000 ] - [ -0.0002598000000000, 0.0002908600000000, -0.0000630300000000 ] - [ -0.0002224300000000, -0.0005230500000000, 0.0000154800000000 ] - [ 0.0003953100000000, -0.0006487500000000, -0.0000342800000000 ] - [ -0.0030007800000000, 0.0003855500000000, -0.0045150500000000 ] - [ -0.0024333000000000, -0.0027705700000000, -0.0042358500000000 ] - [ 0.0021347700000000, -0.0032192300000000, 0.0048767200000000 ] - [ 0.0019076100000000, -0.0022085300000000, 0.0037129700000000 ] - [ -0.0035819500000000, 0.0033151200000000, -0.0052715400000000 ] - [ -0.0022368400000000, 0.0007292400000000, -0.0041721200000000 ] - [ 0.0023538600000000, 0.0023657100000000, 0.0042666800000000 ] - [ 0.0023005600000000, 0.0013960700000000, 0.0042703700000000 ] - [ 0.0032478200000000, 0.0037017000000000, -0.0009502300000000 ] - [ -0.0001004300000000, -0.0004376700000000, -0.0000800700000000 ] - [ -0.0000022100000000, 0.0036021700000000, -0.0020970900000000 ] - [ -0.0000288100000000, -0.0011816500000000, 0.0000142900000000 ] - [ -0.0018709300000000, -0.0022332200000000, -0.0036850200000000 ] - [ -0.0026303100000000, -0.0021287000000000, -0.0042960500000000 ] - [ 0.0022356400000000, -0.0010968100000000, 0.0041365000000000 ] - [ 0.0023751200000000, -0.0022297400000000, 0.0043124300000000 ] - [ -0.0027224100000000, 0.0021266800000000, -0.0041297300000000 ] - [ -0.0021394600000000, 0.0012390200000000, -0.0043666000000000 ] - [ -0.0016023100000000, -0.0013980700000000, -0.0000546800000000 ] - [ 0.0003798200000000, -0.0012766200000000, 0.0004979200000000 ] - [ 0.0012081500000000, -0.0006898900000000, 0.0009906300000000 ] - [ 0.0011583400000000, -0.0017354600000000, 0.0003168300000000 ] - [ -0.0008322900000000, 0.0011593600000000, 0.0000813800000000 ] - [ -0.0020647200000000, 0.0008179100000000, -0.0003370200000000 ] - [ 0.0569113500000000, 0.0678203800000000, -0.0051891400000000 ] - [ 0.0015344400000000, 0.0002366800000000, -0.0000081900000000 ] - [ -0.0022066900000000, 0.0015080300000000, -0.0010597900000000 ] - [ -0.0013150000000000, -0.0015181000000000, -0.0004125000000000 ] - [ 0.0013639300000000, -0.0011734300000000, 0.0003340400000000 ] - [ 0.0012905900000000, -0.0012862800000000, 0.0003654700000000 ] - [ -0.0011180300000000, 0.0016787300000000, -0.0004808300000000 ] - [ -0.0012514600000000, 0.0007690600000000, -0.0001908300000000 ] - [ 0.0013019400000000, 0.0013484600000000, 0.0004227300000000 ] - [ 0.0014783300000000, 0.0009941800000000, 0.0003118900000000 ] - [ -0.0542645500000000, -0.1055322300000000, 0.0182675300000000 ] - [ -0.0013424200000000, -0.0012764700000000, -0.0005360400000000 ] - [ 0.0047745800000000, 0.0027563300000000, -0.0043114900000000 ] - [ -0.0006211600000000, -0.0003545800000000, 0.0016459300000000 ] - [ -0.0018730100000000, -0.0024833700000000, -0.0014859500000000 ] - [ -0.0034404200000000, 0.0003501200000000, -0.0017111300000000 ] - [ -0.0032968500000000, -0.0000959100000000, -0.0021495400000000 ] - [ -0.0033993700000000, 0.0006979700000000, -0.0016330900000000 ] - [ 0.0027289900000000, -0.0025931400000000, -0.0001946300000000 ] - [ 0.0039426600000000, -0.0012484500000000, 0.0006273800000000 ] - [ 0.0040370100000000, -0.0001349100000000, 0.0021957300000000 ] - [ 0.0035681600000000, 0.0002822600000000, 0.0001589200000000 ] - [ -0.0002115800000000, -0.0006106400000000, 0.0020571500000000 ] - [ -0.0007904200000000, 0.0012861100000000, 0.0019118000000000 ] - [ 0.0040264900000000, 0.0016285300000000, 0.0006473700000000 ] - [ 0.0031481900000000, 0.0027476500000000, 0.0010337200000000 ] - [ 0.0006355700000000, -0.0009054600000000, -0.0017412000000000 ] - [ 0.0009636800000000, -0.0004605700000000, -0.0014252900000000 ] - [ 0.0014762300000000, -0.0017832900000000, 0.0006050100000000 ] - [ 0.0011093900000000, -0.0017838000000000, 0.0003386600000000 ] - [ 0.0012878000000000, 0.0009206600000000, -0.0017456200000000 ] - [ -0.0006496000000000, 0.0014543700000000, -0.0013198400000000 ] - [ -0.0005222900000000, 0.0016337400000000, 0.0023893800000000 ] - [ 0.0036418500000000, 0.0005388400000000, 0.0014041900000000 ] - [ 0.0013524800000000, 0.0091019900000000, 0.0026399000000000 ] - [ -0.0037194000000000, -0.0005262700000000, -0.0002910400000000 ] - [ 0.0008807400000000, 0.0012703900000000, 0.0003387800000000 ] - [ 0.0013706300000000, 0.0020791200000000, 0.0005047600000000 ] - [ -0.0013214800000000, 0.0013719200000000, -0.0008906900000000 ] - [ -0.0012384000000000, 0.0022923200000000, -0.0004804500000000 ] - [ -0.0038097300000000, 0.0008098500000000, -0.0003535000000000 ] - [ -0.0038409200000000, 0.0022877600000000, -0.0007312900000000 ] - [ -0.0012655700000000, -0.0018804400000000, -0.0004889400000000 ] - [ -0.0013947100000000, -0.0018791400000000, -0.0004943200000000 ] - [ -0.0006038700000000, -0.0007817600000000, 0.0017111300000000 ] - [ -0.0008410300000000, -0.0005796700000000, 0.0017215900000000 ] - [ -0.0036236700000000, -0.0002938500000000, -0.0014884400000000 ] - [ -0.0034423700000000, -0.0003130000000000, -0.0015954100000000 ] - [ -0.0034638600000000, 0.0002921500000000, -0.0015162100000000 ] - [ -0.0034415700000000, 0.0004672600000000, -0.0018057900000000 ] - [ 0.0028634800000000, -0.0017816100000000, 0.0007575000000000 ] - [ 0.0039120400000000, -0.0012635800000000, 0.0004621100000000 ] - [ 0.0033794900000000, -0.0005747800000000, 0.0015254600000000 ] - [ 0.0035872600000000, -0.0000139800000000, 0.0015368200000000 ] - [ -0.0007836600000000, 0.0007583500000000, 0.0016512600000000 ] - [ -0.0007197900000000, 0.0007935200000000, 0.0017102300000000 ] - [ 0.0051364700000000, 0.0010654900000000, 0.0015532200000000 ] - [ 0.0037950500000000, 0.0020419300000000, 0.0007017900000000 ] - [ 0.0008751500000000, -0.0010742100000000, -0.0015927200000000 ] - [ 0.0006858000000000, -0.0005324900000000, -0.0016625400000000 ] - [ 0.0011508800000000, -0.0023135500000000, 0.0006289100000000 ] - [ 0.0013229600000000, -0.0015883800000000, 0.0005022900000000 ] - [ 0.0010837500000000, -0.0004144400000000, -0.0019486300000000 ] - [ 0.0007999800000000, 0.0009662000000000, -0.0016998200000000 ] - [ 0.0032411800000000, -0.0001826200000000, 0.0016185700000000 ] - [ 0.0034467100000000, 0.0004577800000000, 0.0015697100000000 ] - [ -0.0038619600000000, -0.0018244500000000, -0.0006826700000000 ] - [ -0.0037622400000000, -0.0014030600000000, -0.0005394200000000 ] - [ -0.0066240600000000, 0.0087714000000000, -0.0038968200000000 ] - [ 0.0013237100000000, 0.0020986500000000, 0.0005414700000000 ] - [ -0.0014023400000000, 0.0018589000000000, -0.0005316000000000 ] - [ -0.0012355600000000, 0.0019836200000000, -0.0004888600000000 ] - [ -0.0038305100000000, 0.0014980200000000, -0.0006580100000000 ] - [ -0.0038237800000000, 0.0017927800000000, -0.0006329100000000 ] - [ 0.0001191500000000, -0.0029524800000000, 0.0000829800000000 ] - [ -0.0000333900000000, -0.0024075800000000, -0.0000113600000000 ] - [ 0.0000314100000000, 0.0024797600000000, -0.0000164200000000 ] - [ -0.0002088500000000, 0.0029990000000000, 0.0000718400000000 ] - [ 0.0020683900000000, 0.0000703400000000, -0.0020299900000000 ] - [ -0.0003947800000000, -0.0022831500000000, 0.0000845400000000 ] - [ -0.0000714300000000, 0.0029200700000000, -0.0000157100000000 ] - [ 0.0004219800000000, 0.0031824400000000, 0.0009374000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0083106300000000, -0.0056922800000000, 0.0077402600000000 ] - [ 0.0029150500000000, 0.0052807100000000, 0.0042883500000000 ] - [ -0.0006548400000000, 0.0002608100000000, -0.0000293600000000 ] - [ 0.0002575400000000, 0.0009945600000000, 0.0000633000000000 ] - [ 0.0002208000000000, -0.0007610200000000, -0.0000163300000000 ] - [ -0.0004005900000000, -0.0006372100000000, 0.0000334600000000 ] - [ -0.0016906000000000, -0.0039214800000000, -0.0040918600000000 ] - [ -0.0022612100000000, -0.0007579600000000, -0.0043685700000000 ] - [ 0.0025683100000000, -0.0003107000000000, 0.0037204300000000 ] - [ 0.0027944600000000, -0.0013232600000000, 0.0048960300000000 ] - [ -0.0011177900000000, 0.0002188900000000, -0.0033296000000000 ] - [ -0.0024591400000000, 0.0028048300000000, -0.0044338500000000 ] - [ 0.0023350400000000, 0.0011694900000000, 0.0043389500000000 ] - [ 0.0023943100000000, 0.0021344100000000, 0.0043352800000000 ] - [ -0.0032717600000000, -0.0023163900000000, 0.0010485400000000 ] - [ 0.0001025300000000, 0.0017238500000000, 0.0000813900000000 ] - [ 0.0000049500000000, -0.0049021300000000, 0.0020571200000000 ] - [ 0.0000312500000000, -0.0001009500000000, -0.0000134500000000 ] - [ -0.0028352700000000, -0.0012885900000000, -0.0049257900000000 ] - [ -0.0020646600000000, -0.0014082700000000, -0.0043085600000000 ] - [ 0.0024541500000000, -0.0024360000000000, 0.0044660700000000 ] - [ 0.0023192100000000, -0.0013008400000000, 0.0042909900000000 ] - [ -0.0019745500000000, 0.0013931800000000, -0.0044734700000000 ] - [ -0.0025564900000000, 0.0022947700000000, -0.0042371800000000 ] - [ -0.0009744400000000, -0.0009531700000000, -0.0006286400000000 ] - [ -0.0029567200000000, -0.0010742500000000, -0.0011915400000000 ] - [ 0.0013705800000000, -0.0016590800000000, -0.0003062000000000 ] - [ 0.0014188800000000, -0.0006151600000000, 0.0003667200000000 ] - [ -0.0017438400000000, 0.0011979200000000, -0.0007711300000000 ] - [ -0.0005137600000000, 0.0015333300000000, -0.0003491400000000 ] - [ -0.0519110900000000, -0.0638133600000000, 0.0056279600000000 ] - [ 0.0010418700000000, 0.0021168000000000, 0.0006965500000000 ] - [ -0.0004108000000000, -0.0038647900000000, 0.0003606000000000 ] - [ -0.0012607300000000, -0.0008332700000000, -0.0002721200000000 ] - [ 0.0012122700000000, -0.0011773000000000, 0.0003514000000000 ] - [ 0.0012821800000000, -0.0010660900000000, 0.0003200600000000 ] - [ -0.0014596900000000, 0.0006763200000000, -0.0002070800000000 ] - [ -0.0013244600000000, 0.0015825200000000, -0.0004952800000000 ] - [ 0.0012720700000000, 0.0009999200000000, 0.0002620200000000 ] - [ 0.0010953600000000, 0.0013585900000000, 0.0003715800000000 ] - [ 0.0490480600000000, 0.1000398100000000, -0.0191862100000000 ] - [ -0.0012323400000000, -0.0024456800000000, -0.0004792700000000 ] - [ -0.0061040200000000, -0.0042297800000000, 0.0076176100000000 ] - [ -0.0007551200000000, -0.0011096300000000, 0.0017070000000000 ] - [ -0.0050524600000000, 0.0018692200000000, -0.0016527600000000 ] - [ -0.0034846000000000, -0.0009546400000000, -0.0014140100000000 ] - [ -0.0036287200000000, 0.0007000600000000, -0.0009750200000000 ] - [ -0.0035267400000000, -0.0000938900000000, -0.0014901800000000 ] - [ 0.0048266500000000, -0.0007446600000000, 0.0014268700000000 ] - [ 0.0036001400000000, -0.0020976500000000, 0.0005945300000000 ] - [ 0.0028911600000000, -0.0004712200000000, 0.0009317300000000 ] - [ 0.0033580100000000, -0.0008919400000000, 0.0029677800000000 ] - [ -0.0011695400000000, 0.0020764700000000, 0.0012885200000000 ] - [ -0.0005855000000000, 0.0001771600000000, 0.0014428300000000 ] - [ 0.0035120900000000, 0.0017151500000000, 0.0005720000000000 ] - [ 0.0043963400000000, 0.0005883500000000, 0.0001834200000000 ] - [ 0.0007394200000000, -0.0005574400000000, -0.0016116500000000 ] - [ 0.0004122100000000, -0.0010029000000000, -0.0019269700000000 ] - [ 0.0010993400000000, -0.0019389800000000, 0.0004087400000000 ] - [ 0.0014666700000000, -0.0019394700000000, 0.0006757300000000 ] - [ 0.0000867900000000, 0.0005414500000000, -0.0016097200000000 ] - [ 0.0020276600000000, 0.0000053300000000, -0.0020325500000000 ] - [ 0.0074829500000000, -0.0010352700000000, 0.0007246500000000 ] - [ 0.0032837300000000, 0.0000638300000000, 0.0017187400000000 ] - [ -0.0088247800000000, -0.0123098500000000, -0.0038014900000000 ] - [ -0.0038223600000000, -0.0028221800000000, -0.0009313100000000 ] - [ 0.0016996900000000, 0.0024549500000000, 0.0006782000000000 ] - [ 0.0012043700000000, 0.0016416800000000, 0.0005085700000000 ] - [ -0.0012576900000000, 0.0023495700000000, -0.0001182700000000 ] - [ -0.0013360200000000, 0.0014284900000000, -0.0005332200000000 ] - [ -0.0037381800000000, 0.0025370700000000, -0.0008644000000000 ] - [ -0.0037003700000000, 0.0010565500000000, -0.0004888400000000 ] - [ -0.0013080600000000, -0.0018437500000000, -0.0005240000000000 ] - [ -0.0011786500000000, -0.0018423900000000, -0.0005192800000000 ] - [ -0.0007698700000000, -0.0006797600000000, 0.0016418600000000 ] - [ -0.0005337100000000, -0.0008841200000000, 0.0016312900000000 ] - [ -0.0032990000000000, -0.0003146900000000, -0.0016352800000000 ] - [ -0.0034837900000000, -0.0002914700000000, -0.0015278800000000 ] - [ -0.0034596800000000, 0.0003149100000000, -0.0016066200000000 ] - [ -0.0034837500000000, 0.0001373200000000, -0.0013180400000000 ] - [ 0.0046748000000000, -0.0015651000000000, 0.0004637700000000 ] - [ 0.0036287100000000, -0.0020813000000000, 0.0007581700000000 ] - [ 0.0035486000000000, -0.0000302000000000, 0.0015963300000000 ] - [ 0.0033388400000000, -0.0005923800000000, 0.0015870000000000 ] - [ -0.0005910600000000, 0.0007029000000000, 0.0017005400000000 ] - [ -0.0006541900000000, 0.0006701300000000, 0.0016432100000000 ] - [ 0.0024148500000000, 0.0022917700000000, -0.0003308500000000 ] - [ 0.0037458700000000, 0.0013017700000000, 0.0005178400000000 ] - [ 0.0005045600000000, -0.0003922000000000, -0.0017560100000000 ] - [ 0.0006896500000000, -0.0009303700000000, -0.0016891200000000 ] - [ 0.0014270100000000, -0.0014078300000000, 0.0003923600000000 ] - [ 0.0012511600000000, -0.0021346100000000, 0.0005106500000000 ] - [ 0.0003229300000000, 0.0018774100000000, -0.0014161100000000 ] - [ 0.0005750000000000, 0.0004960200000000, -0.0016528000000000 ] - [ 0.0036884600000000, 0.0007864500000000, 0.0015071200000000 ] - [ 0.0034789900000000, 0.0001480200000000, 0.0015532800000000 ] - [ -0.0036751700000000, -0.0015173900000000, -0.0005362100000000 ] - [ -0.0037784300000000, -0.0019425200000000, -0.0006805100000000 ] - [ 0.0090976500000000, -0.0049668900000000, 0.0048607200000000 ] - [ 0.0012500900000000, 0.0016237000000000, 0.0004712300000000 ] - [ -0.0011699700000000, 0.0018630900000000, -0.0004805600000000 ] - [ -0.0013384900000000, 0.0017373500000000, -0.0005242800000000 ] - [ -0.0037099800000000, 0.0018443700000000, -0.0005617200000000 ] - [ -0.0037167000000000, 0.0015514600000000, -0.0005874800000000 ] - [ -0.0001181400000000, -0.0024422400000000, -0.0000854600000000 ] - [ 0.0000346500000000, -0.0029883500000000, 0.0000100500000000 ] - [ -0.0000298600000000, 0.0029164200000000, 0.0000168400000000 ] - [ 0.0002110900000000, 0.0023955900000000, -0.0000722300000000 ] - [ -0.0020969000000000, -0.0055029300000000, 0.0020604500000000 ] - [ 0.0003952100000000, -0.0031169200000000, -0.0000855300000000 ] - [ 0.0000695100000000, 0.0024723800000000, 0.0000175500000000 ] - [ -0.0004280500000000, 0.0022090400000000, -0.0009492600000000 ]- atom: 41 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0068690900000000, -0.0008766500000000, 0.0134157300000000 ] - [ 0.0019604900000000, 0.0008448000000000, 0.0043030300000000 ] - [ -0.0005171900000000, 0.0005211700000000, 0.0000295700000000 ] - [ -0.0001485300000000, 0.0006034200000000, 0.0000398600000000 ] - [ -0.0000306100000000, -0.0006270100000000, -0.0001420600000000 ] - [ 0.0000583400000000, -0.0005529500000000, -0.0001071400000000 ] - [ -0.0008108100000000, -0.0023615900000000, -0.0044751200000000 ] - [ -0.0023967300000000, -0.0018290400000000, -0.0043092500000000 ] - [ 0.0034261100000000, -0.0001809300000000, 0.0026223100000000 ] - [ 0.0025234600000000, -0.0019882800000000, 0.0035266700000000 ] - [ -0.0037113500000000, 0.0010767500000000, -0.0041559700000000 ] - [ -0.0023425700000000, 0.0020971400000000, -0.0044073600000000 ] - [ 0.0025382300000000, 0.0015768300000000, 0.0044714300000000 ] - [ 0.0023205400000000, 0.0017915600000000, 0.0043212500000000 ] - [ 0.0045338700000000, -0.0025563000000000, -0.0006453400000000 ] - [ 0.0001275300000000, 0.0007278100000000, -0.0000369500000000 ] - [ -0.0030817800000000, -0.0014873500000000, -0.0023349000000000 ] - [ 0.0000279200000000, -0.0005344800000000, 0.0000541900000000 ] - [ -0.0026283700000000, -0.0013946100000000, -0.0045705900000000 ] - [ -0.0026783300000000, -0.0020899200000000, -0.0042510100000000 ] - [ 0.0020064600000000, -0.0019149000000000, 0.0040605700000000 ] - [ 0.0023565100000000, -0.0017334400000000, 0.0042673500000000 ] - [ -0.0023848200000000, 0.0017423100000000, -0.0045659200000000 ] - [ -0.0020855600000000, 0.0015485900000000, -0.0042908700000000 ] - [ -0.0012103200000000, -0.0010972500000000, 0.0001917100000000 ] - [ -0.0002309300000000, -0.0013301700000000, 0.0017764600000000 ] - [ 0.0035889000000000, -0.0018955400000000, -0.0036320000000000 ] - [ 0.0014240200000000, -0.0010688600000000, 0.0000215400000000 ] - [ -0.0015613500000000, 0.0013423400000000, -0.0010964400000000 ] - [ -0.0012408800000000, 0.0010770700000000, -0.0006047000000000 ] - [ -0.0134213900000000, -0.0110729000000000, 0.0148183800000000 ] - [ 0.0011770000000000, 0.0012848400000000, 0.0007712700000000 ] - [ -0.0015953100000000, -0.0017890800000000, 0.0006235100000000 ] - [ -0.0013173800000000, -0.0011399100000000, -0.0002062100000000 ] - [ 0.0012171700000000, -0.0011099600000000, 0.0000935200000000 ] - [ 0.0011385700000000, -0.0011996100000000, 0.0002516400000000 ] - [ -0.0014936600000000, 0.0017765500000000, -0.0012617100000000 ] - [ -0.0012659200000000, 0.0011915900000000, -0.0004970600000000 ] - [ 0.0012186000000000, 0.0011413500000000, 0.0005328300000000 ] - [ 0.0011778000000000, 0.0011898800000000, 0.0003722100000000 ] - [ 0.0094206500000000, 0.0240483700000000, -0.0386213700000000 ] - [ -0.0013131100000000, -0.0018804300000000, -0.0006475900000000 ] - [ -0.0081434400000000, -0.0105062000000000, 0.0093932100000000 ] - [ -0.0006835200000000, -0.0006605800000000, 0.0014993000000000 ] - [ -0.0025045700000000, -0.0006685100000000, -0.0051281300000000 ] - [ -0.0033852200000000, -0.0003053700000000, -0.0017852400000000 ] - [ -0.0028966700000000, 0.0013623700000000, 0.0007908400000000 ] - [ -0.0035149000000000, 0.0002053300000000, -0.0013958700000000 ] - [ 0.0044280600000000, -0.0017063200000000, 0.0010397600000000 ] - [ 0.0038321000000000, -0.0016930100000000, 0.0007198800000000 ] - [ 0.0033018400000000, -0.0003181700000000, 0.0019675700000000 ] - [ 0.0035461800000000, -0.0007473000000000, 0.0023527800000000 ] - [ 0.0000597500000000, 0.0028201300000000, 0.0122023400000000 ] - [ -0.0007324400000000, 0.0008294800000000, 0.0018982700000000 ] - [ 0.0032777600000000, 0.0017175600000000, 0.0004947500000000 ] - [ 0.0032244500000000, 0.0023609600000000, 0.0006625400000000 ] - [ 0.0006183300000000, -0.0006194300000000, -0.0013606100000000 ] - [ 0.0004651800000000, -0.0007902100000000, -0.0015715200000000 ] - [ 0.0013912200000000, -0.0017190700000000, 0.0006815700000000 ] - [ 0.0014225700000000, -0.0019305000000000, 0.0006866900000000 ] - [ 0.0009246900000000, 0.0008735000000000, -0.0017996100000000 ] - [ 0.0022712900000000, 0.0000780000000000, -0.0026144400000000 ] - [ 0.0004322700000000, 0.0017423800000000, 0.0004920700000000 ] - [ 0.0034749000000000, 0.0001107200000000, 0.0011563100000000 ] - [ -0.0018212800000000, 0.0027404800000000, -0.0013349400000000 ] - [ -0.0037943900000000, -0.0021770000000000, -0.0008407900000000 ] - [ 0.0010953500000000, 0.0017529100000000, 0.0001560500000000 ] - [ 0.0012907500000000, 0.0018468800000000, 0.0004093400000000 ] - [ -0.0018084300000000, 0.0022397900000000, 0.0012131800000000 ] - [ -0.0013549000000000, 0.0018415300000000, -0.0003964200000000 ] - [ -0.0049697700000000, 0.0015104300000000, 0.0011293600000000 ] - [ -0.0037409200000000, 0.0013641200000000, -0.0004732800000000 ] - [ -0.0012610800000000, -0.0018332300000000, -0.0005963800000000 ] - [ -0.0011502400000000, -0.0018461300000000, -0.0005806500000000 ] - [ -0.0005577100000000, -0.0006188800000000, 0.0016139700000000 ] - [ -0.0006115800000000, -0.0007481100000000, 0.0015749600000000 ] - [ -0.0032857500000000, -0.0003421500000000, -0.0016659600000000 ] - [ -0.0034140500000000, -0.0003099700000000, -0.0016259700000000 ] - [ -0.0033897600000000, 0.0003501300000000, -0.0014760900000000 ] - [ -0.0034702600000000, 0.0002388100000000, -0.0013160000000000 ] - [ 0.0025784700000000, -0.0017268800000000, 0.0010851400000000 ] - [ 0.0037365200000000, -0.0017535100000000, 0.0006900500000000 ] - [ 0.0034480300000000, -0.0003971900000000, 0.0017981500000000 ] - [ 0.0034271300000000, -0.0003401500000000, 0.0016326000000000 ] - [ -0.0008000900000000, 0.0008211000000000, 0.0017496200000000 ] - [ -0.0006009400000000, 0.0007300300000000, 0.0017407200000000 ] - [ 0.0051283800000000, 0.0020125900000000, 0.0005097300000000 ] - [ 0.0037660400000000, 0.0015632300000000, 0.0005358000000000 ] - [ 0.0015107200000000, -0.0013075600000000, -0.0013306200000000 ] - [ 0.0006989600000000, -0.0006535300000000, -0.0015684700000000 ] - [ 0.0015806800000000, -0.0019988500000000, 0.0023021800000000 ] - [ 0.0012447100000000, -0.0018511000000000, 0.0005735800000000 ] - [ -0.0013668700000000, 0.0007607600000000, -0.0019069300000000 ] - [ 0.0006563300000000, 0.0007694600000000, -0.0017731600000000 ] - [ 0.0036473300000000, 0.0003733900000000, 0.0014082300000000 ] - [ 0.0034888000000000, 0.0003019100000000, 0.0015086100000000 ] - [ -0.0038345200000000, -0.0017514700000000, -0.0006662100000000 ] - [ -0.0037148400000000, -0.0017577200000000, -0.0006949500000000 ] - [ 0.0045891800000000, -0.0013628100000000, 0.0004879400000000 ] - [ 0.0012796500000000, 0.0018896300000000, 0.0004367800000000 ] - [ -0.0011704600000000, 0.0018689200000000, -0.0003898400000000 ] - [ -0.0012418400000000, 0.0018505200000000, -0.0004128700000000 ] - [ -0.0035831700000000, 0.0015954200000000, -0.0005301100000000 ] - [ -0.0037131400000000, 0.0016603900000000, -0.0005591500000000 ] - [ -0.0000192600000000, -0.0026852800000000, -0.0000686700000000 ] - [ 0.0000844000000000, -0.0027696000000000, -0.0000004900000000 ] - [ 0.0000800600000000, 0.0027109600000000, 0.0000568500000000 ] - [ -0.0001459500000000, 0.0027492800000000, 0.0000718600000000 ] - [ -0.0011377300000000, -0.0041494200000000, 0.0009847400000000 ] - [ -0.0000791300000000, -0.0019632500000000, -0.0000763600000000 ] - [ 0.0000606300000000, 0.0025544900000000, 0.0000487100000000 ] - [ 0.0001917200000000, 0.0039396600000000, 0.0004781700000000 ]- atom: 41 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ -0.0020785800000000, 0.0042814000000000, -0.0047333200000000 ] - [ 0.0027327000000000, 0.0027023700000000, 0.0043014100000000 ] - [ 0.0005224100000000, 0.0007637300000000, -0.0000287200000000 ] - [ 0.0001522700000000, 0.0006870100000000, -0.0000388700000000 ] - [ 0.0000321800000000, -0.0006646700000000, 0.0001416800000000 ] - [ -0.0000562500000000, -0.0007386600000000, 0.0001064800000000 ] - [ -0.0038810500000000, -0.0011642000000000, -0.0041551300000000 ] - [ -0.0022931100000000, -0.0017014200000000, -0.0042947500000000 ] - [ 0.0012642400000000, -0.0033567300000000, 0.0059797400000000 ] - [ 0.0021636300000000, -0.0015370500000000, 0.0050804700000000 ] - [ -0.0009767900000000, 0.0024582500000000, -0.0044174500000000 ] - [ -0.0023457400000000, 0.0014313700000000, -0.0041968900000000 ] - [ 0.0021580400000000, 0.0019535800000000, 0.0041333400000000 ] - [ 0.0023701700000000, 0.0017387800000000, 0.0042825200000000 ] - [ -0.0045852000000000, 0.0039241500000000, 0.0007721400000000 ] - [ -0.0001303300000000, 0.0005568800000000, 0.0000358400000000 ] - [ 0.0030598300000000, 0.0002608800000000, 0.0020394200000000 ] - [ -0.0000293800000000, -0.0007571900000000, -0.0000542900000000 ] - [ -0.0020626400000000, -0.0021393600000000, -0.0040348900000000 ] - [ -0.0020104000000000, -0.0014368100000000, -0.0043527600000000 ] - [ 0.0026892500000000, -0.0016110100000000, 0.0045430600000000 ] - [ 0.0023343600000000, -0.0017973500000000, 0.0043361000000000 ] - [ -0.0023056700000000, 0.0017952400000000, -0.0040353700000000 ] - [ -0.0026057200000000, 0.0019783900000000, -0.0043127700000000 ] - [ -0.0013687900000000, -0.0012614000000000, -0.0008760000000000 ] - [ -0.0023479700000000, -0.0010381600000000, -0.0024561600000000 ] - [ -0.0009876600000000, -0.0004585200000000, 0.0043461600000000 ] - [ 0.0011555900000000, -0.0012910500000000, 0.0006598200000000 ] - [ -0.0010152200000000, 0.0010145400000000, 0.0004224400000000 ] - [ -0.0013363100000000, 0.0012805900000000, -0.0000729500000000 ] - [ 0.0158159900000000, 0.0133175900000000, -0.0140049800000000 ] - [ 0.0014035100000000, 0.0010715800000000, -0.0000954700000000 ] - [ -0.0009766100000000, -0.0005778900000000, -0.0012990100000000 ] - [ -0.0012629700000000, -0.0012188800000000, -0.0004737000000000 ] - [ 0.0013643300000000, -0.0012503900000000, 0.0005870100000000 ] - [ 0.0014439400000000, -0.0011581900000000, 0.0004281800000000 ] - [ -0.0010801900000000, 0.0005814100000000, 0.0005875000000000 ] - [ -0.0013143300000000, 0.0011655500000000, -0.0001809600000000 ] - [ 0.0013622400000000, 0.0012169700000000, 0.0001460000000000 ] - [ 0.0014048600000000, 0.0011677600000000, 0.0003074700000000 ] - [ -0.0119063800000000, -0.0276899700000000, 0.0374323400000000 ] - [ -0.0012695500000000, -0.0018477400000000, -0.0003676100000000 ] - [ 0.0068228100000000, 0.0091401500000000, -0.0061105200000000 ] - [ -0.0006923800000000, -0.0007959700000000, 0.0018572700000000 ] - [ -0.0044852000000000, 0.0000355300000000, 0.0020051700000000 ] - [ -0.0035341800000000, -0.0003000200000000, -0.0013381900000000 ] - [ -0.0040033700000000, -0.0007434000000000, -0.0038978200000000 ] - [ -0.0034029800000000, 0.0004012100000000, -0.0017306500000000 ] - [ 0.0031142500000000, -0.0016298600000000, 0.0001868600000000 ] - [ 0.0037132300000000, -0.0016436700000000, 0.0005080400000000 ] - [ 0.0036143200000000, -0.0002885700000000, 0.0011474200000000 ] - [ 0.0033777400000000, 0.0001474200000000, 0.0007529900000000 ] - [ -0.0013997900000000, -0.0013453400000000, -0.0087071100000000 ] - [ -0.0006429800000000, 0.0006270600000000, 0.0014550300000000 ] - [ 0.0042670600000000, 0.0016188600000000, 0.0007380200000000 ] - [ 0.0043249600000000, 0.0009721100000000, 0.0005645700000000 ] - [ 0.0007584100000000, -0.0008379200000000, -0.0019948300000000 ] - [ 0.0009119700000000, -0.0006659500000000, -0.0017846200000000 ] - [ 0.0011921900000000, -0.0020102000000000, 0.0003326900000000 ] - [ 0.0011600200000000, -0.0017980100000000, 0.0003287900000000 ] - [ 0.0004482200000000, 0.0005800100000000, -0.0015530700000000 ] - [ -0.0008854900000000, 0.0013756300000000, -0.0007399800000000 ] - [ 0.0065056400000000, -0.0011469800000000, 0.0026427200000000 ] - [ 0.0034428100000000, 0.0004954700000000, 0.0019724600000000 ] - [ -0.0057433000000000, -0.0061265200000000, 0.0000911300000000 ] - [ -0.0037508800000000, -0.0011550700000000, -0.0003859900000000 ] - [ 0.0014877300000000, 0.0019805600000000, 0.0008622800000000 ] - [ 0.0012928600000000, 0.0018823000000000, 0.0006075600000000 ] - [ -0.0007735800000000, 0.0014927200000000, -0.0022266100000000 ] - [ -0.0012276100000000, 0.0018887500000000, -0.0006211300000000 ] - [ -0.0025721500000000, 0.0018186200000000, -0.0023483400000000 ] - [ -0.0038051000000000, 0.0019751600000000, -0.0007571800000000 ] - [ -0.0013251400000000, -0.0018962000000000, -0.0004204700000000 ] - [ -0.0014352400000000, -0.0018826700000000, -0.0004364700000000 ] - [ -0.0008200200000000, -0.0008388300000000, 0.0017414100000000 ] - [ -0.0007654300000000, -0.0007084700000000, 0.0017792800000000 ] - [ -0.0036345900000000, -0.0002620000000000, -0.0014594300000000 ] - [ -0.0035047700000000, -0.0002956900000000, -0.0014986900000000 ] - [ -0.0035300400000000, 0.0002538600000000, -0.0016492300000000 ] - [ -0.0034483800000000, 0.0003671700000000, -0.0018093100000000 ] - [ 0.0049594000000000, -0.0016073000000000, 0.0001438400000000 ] - [ 0.0038114800000000, -0.0015817800000000, 0.0005374400000000 ] - [ 0.0034668000000000, -0.0002096200000000, 0.0013244000000000 ] - [ 0.0034918600000000, -0.0002638600000000, 0.0014921100000000 ] - [ -0.0005779200000000, 0.0006360200000000, 0.0016041200000000 ] - [ -0.0007772200000000, 0.0007262700000000, 0.0016136200000000 ] - [ 0.0024153600000000, 0.0013206200000000, 0.0007241500000000 ] - [ 0.0037807300000000, 0.0017740400000000, 0.0006933600000000 ] - [ -0.0001497400000000, -0.0001400100000000, -0.0020276200000000 ] - [ 0.0006779800000000, -0.0008034700000000, -0.0017866600000000 ] - [ 0.0009966400000000, -0.0017337800000000, -0.0013079300000000 ] - [ 0.0013407100000000, -0.0018776700000000, 0.0004422200000000 ] - [ 0.0027375300000000, 0.0006957300000000, -0.0014521700000000 ] - [ 0.0007212700000000, 0.0006876100000000, -0.0015808700000000 ] - [ 0.0032703700000000, 0.0002323500000000, 0.0017161900000000 ] - [ 0.0034292100000000, 0.0003028800000000, 0.0016163000000000 ] - [ -0.0037135500000000, -0.0015853300000000, -0.0005628400000000 ] - [ -0.0038328900000000, -0.0015774400000000, -0.0005330200000000 ] - [ -0.0019982100000000, 0.0050822100000000, 0.0005552300000000 ] - [ 0.0013050500000000, 0.0018387900000000, 0.0005805000000000 ] - [ -0.0014160400000000, 0.0018596100000000, -0.0006279300000000 ] - [ -0.0013434000000000, 0.0018792200000000, -0.0006042100000000 ] - [ -0.0039661400000000, 0.0017425400000000, -0.0006991100000000 ] - [ -0.0038344300000000, 0.0016752000000000, -0.0006700900000000 ] - [ 0.0000104800000000, -0.0027093900000000, 0.0000656500000000 ] - [ -0.0000852200000000, -0.0026252900000000, -0.0000002600000000 ] - [ -0.0000799100000000, 0.0026838400000000, -0.0000559900000000 ] - [ 0.0001460700000000, 0.0026456600000000, -0.0000714300000000 ] - [ 0.0011301500000000, -0.0012589800000000, -0.0009675900000000 ] - [ 0.0000846500000000, -0.0034263200000000, 0.0000722400000000 ] - [ -0.0000616000000000, 0.0028426900000000, -0.0000477600000000 ] - [ -0.0001938100000000, 0.0014423500000000, -0.0004770900000000 ]- atom: 43 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0052909800000000, 0.0016461700000000, 0.0048815100000000 ] - [ 0.0029457700000000, 0.0021534600000000, 0.0041556500000000 ] - [ -0.0007984000000000, 0.0008270700000000, -0.0005162000000000 ] - [ -0.0004318200000000, 0.0005769500000000, -0.0001460900000000 ] - [ -0.0015552200000000, -0.0011732100000000, 0.0008387000000000 ] - [ -0.0008081700000000, -0.0003814000000000, -0.0000177400000000 ] - [ 0.0104503800000000, -0.0067377500000000, -0.0040974100000000 ] - [ -0.0022523900000000, -0.0021251300000000, -0.0041750400000000 ] - [ 0.0068958100000000, 0.0063334700000000, -0.0002079600000000 ] - [ 0.0032921600000000, -0.0017410900000000, 0.0044052200000000 ] - [ -0.0015350300000000, 0.0006717900000000, -0.0048094000000000 ] - [ -0.0021808400000000, 0.0019169000000000, -0.0042890400000000 ] - [ 0.0014879000000000, 0.0020885200000000, 0.0043958800000000 ] - [ 0.0020490700000000, 0.0017305000000000, 0.0042326400000000 ] - [ 0.0000262800000000, 0.0015077900000000, 0.0014417300000000 ] - [ 0.0003260500000000, 0.0002673900000000, -0.0000174500000000 ] - [ 0.0189803800000000, 0.0131942300000000, 0.0066398400000000 ] - [ 0.0005101800000000, -0.0004493400000000, 0.0000697200000000 ] - [ -0.0031190600000000, -0.0007129500000000, -0.0048641400000000 ] - [ -0.0029182800000000, -0.0024684500000000, -0.0043564100000000 ] - [ 0.0011752500000000, -0.0018307700000000, 0.0039015200000000 ] - [ 0.0020415500000000, -0.0018289400000000, 0.0042615700000000 ] - [ -0.0028945100000000, 0.0012435000000000, -0.0043174800000000 ] - [ -0.0024810700000000, 0.0019634300000000, -0.0043012200000000 ] - [ -0.0005772900000000, -0.0031723600000000, -0.0020604900000000 ] - [ -0.0007894300000000, -0.0003467300000000, -0.0003481800000000 ] - [ 0.0019607800000000, -0.0005145300000000, 0.0003065200000000 ] - [ 0.0014810800000000, -0.0013852600000000, 0.0005436600000000 ] - [ -0.0008634300000000, 0.0017169500000000, 0.0004375900000000 ] - [ -0.0011927200000000, 0.0011280600000000, -0.0001444800000000 ] - [ 0.0129536500000000, 0.0044657600000000, -0.0016729000000000 ] - [ 0.0014893700000000, 0.0011289200000000, 0.0004190500000000 ] - [ -0.0025727800000000, -0.0020990500000000, -0.0002923200000000 ] - [ -0.0014094300000000, -0.0011733000000000, -0.0003319900000000 ] - [ 0.0010050700000000, -0.0011017300000000, 0.0003267700000000 ] - [ 0.0008065800000000, -0.0012371000000000, 0.0002626900000000 ] - [ -0.0015602500000000, 0.0012675300000000, -0.0010123800000000 ] - [ -0.0013430100000000, 0.0010388100000000, -0.0003882700000000 ] - [ 0.0008302100000000, 0.0010239600000000, 0.0003605800000000 ] - [ 0.0006930600000000, 0.0011035800000000, 0.0002077800000000 ] - [ -0.0002643500000000, 0.0035253200000000, -0.0078599500000000 ] - [ -0.0015083300000000, -0.0017948800000000, -0.0005350900000000 ] - [ -0.0632545500000000, -0.0228252700000000, 0.0061795100000000 ] - [ -0.0009727300000000, -0.0006251100000000, 0.0016012100000000 ] - [ -0.0033889600000000, -0.0041659300000000, 0.0056484800000000 ] - [ -0.0036365700000000, -0.0002017600000000, -0.0014991900000000 ] - [ -0.0029759000000000, 0.0002565200000000, -0.0038794800000000 ] - [ -0.0036097800000000, 0.0003168100000000, -0.0016247300000000 ] - [ 0.0035121900000000, -0.0024996300000000, 0.0010450100000000 ] - [ 0.0037472300000000, -0.0015563500000000, 0.0005357500000000 ] - [ 0.0032353200000000, -0.0002694700000000, 0.0005577300000000 ] - [ 0.0032348100000000, -0.0003610100000000, 0.0013973600000000 ] - [ -0.0009067500000000, 0.0006227300000000, 0.0015653900000000 ] - [ -0.0008638400000000, 0.0007931100000000, 0.0016458700000000 ] - [ 0.0129411300000000, 0.0063450500000000, 0.0008034500000000 ] - [ 0.0037059500000000, 0.0014782300000000, 0.0005769200000000 ] - [ 0.0006002900000000, -0.0019966800000000, -0.0029627500000000 ] - [ 0.0005910100000000, -0.0007044300000000, -0.0018637500000000 ] - [ 0.0013736800000000, -0.0018101000000000, 0.0004493500000000 ] - [ 0.0014818400000000, -0.0021383300000000, 0.0003077900000000 ] - [ 0.0006392200000000, 0.0009330500000000, -0.0013897600000000 ] - [ 0.0004016300000000, 0.0005738200000000, -0.0014437900000000 ] - [ 0.0028929400000000, -0.0005218200000000, 0.0018597100000000 ] - [ 0.0031399100000000, 0.0012338600000000, 0.0019319000000000 ] - [ -0.0066332200000000, -0.0026430500000000, -0.0031715400000000 ] - [ -0.0039307200000000, -0.0017089600000000, -0.0006234100000000 ] - [ 0.0019615400000000, 0.0005208300000000, 0.0022032200000000 ] - [ 0.0013614100000000, 0.0024620800000000, 0.0007589600000000 ] - [ -0.0019675300000000, 0.0013821100000000, 0.0001568500000000 ] - [ -0.0015309500000000, 0.0019610700000000, -0.0005867500000000 ] - [ -0.0061986000000000, 0.0013594100000000, -0.0007743400000000 ] - [ -0.0040460200000000, 0.0021569300000000, -0.0006895600000000 ] - [ -0.0007805800000000, -0.0017773900000000, -0.0003018700000000 ] - [ -0.0008423700000000, -0.0020150800000000, -0.0003662500000000 ] - [ -0.0002835300000000, -0.0005726800000000, 0.0016787000000000 ] - [ -0.0002832800000000, -0.0006925500000000, 0.0017788500000000 ] - [ -0.0029709500000000, -0.0004939200000000, -0.0015525500000000 ] - [ -0.0032352200000000, -0.0002177000000000, -0.0015808500000000 ] - [ -0.0031947500000000, 0.0004065200000000, -0.0014712200000000 ] - [ -0.0032910900000000, 0.0002591400000000, -0.0014351800000000 ] - [ 0.0038749200000000, -0.0019474500000000, 0.0007603300000000 ] - [ 0.0038287600000000, -0.0014983400000000, 0.0005840200000000 ] - [ 0.0037460000000000, -0.0002115800000000, 0.0017185500000000 ] - [ 0.0035703300000000, -0.0002729000000000, 0.0016124400000000 ] - [ -0.0004962000000000, 0.0006513200000000, 0.0016752200000000 ] - [ -0.0004035100000000, 0.0007520700000000, 0.0017400400000000 ] - [ 0.0053988300000000, 0.0019761100000000, -0.0002317600000000 ] - [ 0.0037858000000000, 0.0015916500000000, 0.0006043100000000 ] - [ 0.0015700800000000, -0.0012638900000000, -0.0011456700000000 ] - [ 0.0007747600000000, -0.0006061400000000, -0.0015804500000000 ] - [ 0.0013793200000000, -0.0020461000000000, 0.0013557500000000 ] - [ 0.0012534800000000, -0.0018597900000000, 0.0005129600000000 ] - [ 0.0013342500000000, 0.0009675300000000, -0.0022135300000000 ] - [ 0.0007633900000000, 0.0007382800000000, -0.0017099200000000 ] - [ 0.0043112800000000, 0.0002535800000000, 0.0017934400000000 ] - [ 0.0035839100000000, 0.0003458400000000, 0.0015527300000000 ] - [ -0.0034312600000000, -0.0015327700000000, -0.0005314900000000 ] - [ -0.0035284400000000, -0.0016956600000000, -0.0005969800000000 ] - [ 0.0053604300000000, 0.0022410300000000, -0.0009615900000000 ] - [ 0.0013088600000000, 0.0019726500000000, 0.0004771500000000 ] - [ -0.0009351000000000, 0.0018935100000000, -0.0003675000000000 ] - [ -0.0009891300000000, 0.0019580100000000, -0.0005773600000000 ] - [ -0.0032098200000000, 0.0014296400000000, -0.0006161000000000 ] - [ -0.0035320900000000, 0.0017155400000000, -0.0005963300000000 ] - [ 0.0003754400000000, -0.0026682600000000, 0.0000425000000000 ] - [ 0.0001415700000000, -0.0027048100000000, -0.0000143200000000 ] - [ 0.0008555900000000, 0.0028184400000000, -0.0000769600000000 ] - [ 0.0001447200000000, 0.0027063200000000, -0.0000417800000000 ] - [ 0.0000483400000000, -0.0019863100000000, -0.0002736400000000 ] - [ -0.0001974300000000, -0.0028530800000000, -0.0000074200000000 ] - [ 0.0002402400000000, 0.0010039300000000, 0.0004604300000000 ] - [ -0.0005853200000000, 0.0046215000000000, -0.0001390500000000 ]- atom: 43 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ -0.0006129700000000, 0.0018678700000000, 0.0037256100000000 ] - [ 0.0017449900000000, 0.0013945400000000, 0.0044501700000000 ] - [ 0.0008042100000000, 0.0004600300000000, 0.0005136600000000 ] - [ 0.0004394200000000, 0.0007165100000000, 0.0001462700000000 ] - [ 0.0015621100000000, -0.0001207000000000, -0.0008304800000000 ] - [ 0.0008087200000000, -0.0009077600000000, 0.0000163300000000 ] - [ -0.0145767100000000, 0.0027825700000000, -0.0045489500000000 ] - [ -0.0024337000000000, -0.0013977700000000, -0.0044287000000000 ] - [ -0.0022974000000000, -0.0098074700000000, 0.0087354000000000 ] - [ 0.0013930700000000, -0.0017823500000000, 0.0041971700000000 ] - [ -0.0031416100000000, 0.0028591200000000, -0.0037799000000000 ] - [ -0.0025059800000000, 0.0016153900000000, -0.0043131600000000 ] - [ 0.0032061600000000, 0.0014415500000000, 0.0042049900000000 ] - [ 0.0026399600000000, 0.0017996700000000, 0.0043704600000000 ] - [ -0.0000560700000000, -0.0002255100000000, -0.0014253200000000 ] - [ -0.0003288100000000, 0.0010260900000000, 0.0000171200000000 ] - [ -0.0195365300000000, -0.0150561400000000, -0.0069514800000000 ] - [ -0.0005142100000000, -0.0008388600000000, -0.0000699800000000 ] - [ -0.0015703500000000, -0.0028247000000000, -0.0037349100000000 ] - [ -0.0017666100000000, -0.0010560200000000, -0.0042470400000000 ] - [ 0.0035183300000000, -0.0016964900000000, 0.0047037300000000 ] - [ 0.0026474200000000, -0.0017005800000000, 0.0043413100000000 ] - [ -0.0017917900000000, 0.0022898700000000, -0.0042834400000000 ] - [ -0.0022104900000000, 0.0015645200000000, -0.0043020700000000 ] - [ -0.0019870300000000, 0.0008112800000000, 0.0013743100000000 ] - [ -0.0017859500000000, -0.0020080200000000, -0.0003311700000000 ] - [ 0.0005879500000000, -0.0018403900000000, 0.0003926700000000 ] - [ 0.0010989400000000, -0.0009694600000000, 0.0001353100000000 ] - [ -0.0017186800000000, 0.0006312900000000, -0.0011023200000000 ] - [ -0.0013786300000000, 0.0012323000000000, -0.0005354000000000 ] - [ -0.0104230800000000, -0.0020448200000000, 0.0018867600000000 ] - [ 0.0010898500000000, 0.0012315400000000, 0.0002583500000000 ] - [ -0.0000077400000000, -0.0002493700000000, -0.0003864000000000 ] - [ -0.0011707500000000, -0.0011840500000000, -0.0003471400000000 ] - [ 0.0015758700000000, -0.0012598400000000, 0.0003544400000000 ] - [ 0.0017764600000000, -0.0011200100000000, 0.0004170900000000 ] - [ -0.0010142300000000, 0.0010891200000000, 0.0003372300000000 ] - [ -0.0012376800000000, 0.0013203500000000, -0.0002901300000000 ] - [ 0.0017505100000000, 0.0013345700000000, 0.0003173200000000 ] - [ 0.0018895800000000, 0.0012531600000000, 0.0004712800000000 ] - [ -0.0023261200000000, -0.0073060400000000, 0.0068898300000000 ] - [ -0.0010771000000000, -0.0019373700000000, -0.0004811600000000 ] - [ 0.0619469300000000, 0.0222553400000000, -0.0019231400000000 ] - [ -0.0004025400000000, -0.0008327000000000, 0.0017550300000000 ] - [ -0.0035400100000000, 0.0035411300000000, -0.0087886000000000 ] - [ -0.0032763800000000, -0.0004075700000000, -0.0016262800000000 ] - [ -0.0039342300000000, 0.0003564300000000, 0.0007568400000000 ] - [ -0.0033029000000000, 0.0002878100000000, -0.0015001700000000 ] - [ 0.0040350300000000, -0.0008242400000000, 0.0001789000000000 ] - [ 0.0037971500000000, -0.0017819800000000, 0.0006948000000000 ] - [ 0.0036709400000000, -0.0003430800000000, 0.0025604700000000 ] - [ 0.0036785800000000, -0.0002442100000000, 0.0017239800000000 ] - [ -0.0004651600000000, 0.0008359600000000, 0.0017849200000000 ] - [ -0.0005119300000000, 0.0006597600000000, 0.0017068800000000 ] - [ -0.0052234200000000, -0.0029374600000000, 0.0004245600000000 ] - [ 0.0038390000000000, 0.0018570200000000, 0.0006526400000000 ] - [ 0.0007794900000000, 0.0005312100000000, -0.0004109700000000 ] - [ 0.0007802100000000, -0.0007581500000000, -0.0014917700000000 ] - [ 0.0012098400000000, -0.0019233400000000, 0.0005649900000000 ] - [ 0.0011058200000000, -0.0015931500000000, 0.0007049100000000 ] - [ 0.0007339800000000, 0.0005184800000000, -0.0019648400000000 ] - [ 0.0009746100000000, 0.0008820300000000, -0.0019087400000000 ] - [ 0.0040164600000000, 0.0011269400000000, 0.0012677000000000 ] - [ 0.0037630200000000, -0.0006375300000000, 0.0011936300000000 ] - [ -0.0008825800000000, -0.0006965400000000, 0.0018695900000000 ] - [ -0.0036145000000000, -0.0016273700000000, -0.0006058900000000 ] - [ 0.0006307900000000, 0.0032034900000000, -0.0011672900000000 ] - [ 0.0012204000000000, 0.0012705300000000, 0.0002592700000000 ] - [ -0.0006391300000000, 0.0023521100000000, -0.0012259600000000 ] - [ -0.0010542900000000, 0.0017675400000000, -0.0004305900000000 ] - [ -0.0013386500000000, 0.0019854700000000, -0.0004401300000000 ] - [ -0.0034997900000000, 0.0011761200000000, -0.0005397600000000 ] - [ -0.0018075900000000, -0.0019521700000000, -0.0007146000000000 ] - [ -0.0017452800000000, -0.0017166500000000, -0.0006511200000000 ] - [ -0.0010949100000000, -0.0008838800000000, 0.0016759000000000 ] - [ -0.0010940200000000, -0.0007621500000000, 0.0015754300000000 ] - [ -0.0039433500000000, -0.0001110400000000, -0.0015721600000000 ] - [ -0.0036790600000000, -0.0003887900000000, -0.0015438000000000 ] - [ -0.0037197700000000, 0.0001988600000000, -0.0016534700000000 ] - [ -0.0036213400000000, 0.0003480600000000, -0.0016893700000000 ] - [ 0.0036695900000000, -0.0013859300000000, 0.0004659000000000 ] - [ 0.0037184600000000, -0.0018381900000000, 0.0006459600000000 ] - [ 0.0031656500000000, -0.0003950700000000, 0.0014045700000000 ] - [ 0.0033439900000000, -0.0003330100000000, 0.0015120400000000 ] - [ -0.0008821500000000, 0.0008050400000000, 0.0016785500000000 ] - [ -0.0009747000000000, 0.0007032200000000, 0.0016137700000000 ] - [ 0.0021425000000000, 0.0013588300000000, 0.0014641300000000 ] - [ 0.0037621000000000, 0.0017440600000000, 0.0006249500000000 ] - [ -0.0001957100000000, -0.0001865500000000, -0.0022100000000000 ] - [ 0.0006027600000000, -0.0008508000000000, -0.0017744800000000 ] - [ 0.0012044700000000, -0.0016832900000000, -0.0003495000000000 ] - [ 0.0013354700000000, -0.0018719100000000, 0.0005036600000000 ] - [ 0.0000454400000000, 0.0004856500000000, -0.0011369200000000 ] - [ 0.0006143100000000, 0.0007166900000000, -0.0016434600000000 ] - [ 0.0025955900000000, 0.0003525900000000, 0.0013282500000000 ] - [ 0.0033294500000000, 0.0002596300000000, 0.0015719100000000 ] - [ -0.0041157900000000, -0.0018030000000000, -0.0006975300000000 ] - [ -0.0040197000000000, -0.0016383200000000, -0.0006313900000000 ] - [ -0.0028450100000000, 0.0014913600000000, 0.0020117300000000 ] - [ 0.0012790500000000, 0.0017566700000000, 0.0005406200000000 ] - [ -0.0016538300000000, 0.0018372800000000, -0.0006502200000000 ] - [ -0.0015991200000000, 0.0017741100000000, -0.0004419300000000 ] - [ -0.0043367400000000, 0.0019063500000000, -0.0006149000000000 ] - [ -0.0040151700000000, 0.0016189800000000, -0.0006339100000000 ] - [ -0.0003837400000000, -0.0027260500000000, -0.0000443300000000 ] - [ -0.0001430300000000, -0.0026908000000000, 0.0000137400000000 ] - [ -0.0008609200000000, 0.0025804200000000, 0.0000791700000000 ] - [ -0.0001465900000000, 0.0026873100000000, 0.0000425300000000 ] - [ -0.0000466200000000, -0.0034085800000000, 0.0002725900000000 ] - [ 0.0002067800000000, -0.0025424800000000, 0.0000042600000000 ] - [ -0.0002418300000000, 0.0044045300000000, -0.0004630000000000 ] - [ 0.0005903100000000, 0.0007513800000000, 0.0001437800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034014700000000, 0.0001380300000000, 0.0056623600000000 ] - [ 0.0026649600000000, 0.0009101900000000, 0.0037568900000000 ] - [ 0.0002949300000000, 0.0006065600000000, 0.0002485400000000 ] - [ -0.0004183500000000, 0.0004904100000000, -0.0001192800000000 ] - [ -0.0012350700000000, -0.0004282700000000, 0.0003356000000000 ] - [ 0.0003305700000000, -0.0010667100000000, -0.0000394000000000 ] - [ -0.0086852300000000, 0.0062967500000000, -0.0052673800000000 ] - [ -0.0027957000000000, -0.0033246800000000, -0.0041353000000000 ] - [ 0.0094438700000000, 0.0122613400000000, -0.0034542000000000 ] - [ 0.0024625600000000, -0.0031408000000000, 0.0043043300000000 ] - [ -0.0031215200000000, 0.0036652100000000, -0.0034839400000000 ] - [ -0.0024353900000000, 0.0008997100000000, -0.0043564200000000 ] - [ 0.0022161900000000, 0.0023314600000000, 0.0042062100000000 ] - [ 0.0023554500000000, 0.0014058500000000, 0.0043122500000000 ] - [ 0.0005652700000000, 0.0028223100000000, 0.0010784200000000 ] - [ 0.0001253100000000, -0.0000389100000000, -0.0000254000000000 ] - [ 0.0143331100000000, 0.0141096200000000, 0.0049978900000000 ] - [ 0.0001881200000000, -0.0017111600000000, -0.0001121700000000 ] - [ -0.0020426600000000, -0.0011937100000000, -0.0043263100000000 ] - [ -0.0025492000000000, -0.0023472400000000, -0.0043187600000000 ] - [ 0.0020771800000000, -0.0015065800000000, 0.0041763800000000 ] - [ 0.0023296200000000, -0.0020554800000000, 0.0043452100000000 ] - [ -0.0026083800000000, 0.0015715500000000, -0.0042491800000000 ] - [ -0.0022579400000000, 0.0017960000000000, -0.0043079000000000 ] - [ -0.0023315300000000, -0.0015204900000000, -0.0013733300000000 ] - [ -0.0005546800000000, -0.0019215500000000, -0.0001347900000000 ] - [ 0.0010858600000000, 0.0019464300000000, 0.0018032500000000 ] - [ 0.0010571800000000, -0.0020385000000000, 0.0008915700000000 ] - [ -0.0011983700000000, 0.0009297000000000, -0.0007309800000000 ] - [ -0.0022491500000000, 0.0010387700000000, 0.0002391300000000 ] - [ 0.0043062200000000, 0.0190182000000000, -0.0251178600000000 ] - [ 0.0015172200000000, 0.0005519000000000, 0.0002130700000000 ] - [ -0.0015091200000000, 0.0001543200000000, -0.0002018200000000 ] - [ -0.0012962500000000, -0.0015272300000000, -0.0004708200000000 ] - [ 0.0012219500000000, -0.0008935000000000, 0.0002990900000000 ] - [ 0.0012353400000000, -0.0013797500000000, 0.0003621000000000 ] - [ -0.0013483800000000, 0.0016028200000000, -0.0005516400000000 ] - [ -0.0012044100000000, 0.0008727900000000, -0.0002584900000000 ] - [ 0.0013358200000000, 0.0011443600000000, 0.0003882400000000 ] - [ 0.0011485500000000, 0.0010951700000000, 0.0002791300000000 ] - [ 0.0038190800000000, 0.0016285600000000, -0.0096673100000000 ] - [ -0.0014183400000000, -0.0014898100000000, -0.0004552300000000 ] - [ -0.0234071900000000, -0.0675137300000000, 0.0330620400000000 ] - [ -0.0005801600000000, -0.0002553700000000, 0.0016890500000000 ] - [ -0.0053712700000000, -0.0021098100000000, -0.0061518800000000 ] - [ -0.0035430200000000, 0.0002827800000000, -0.0012291700000000 ] - [ -0.0030156300000000, -0.0012776800000000, -0.0024121700000000 ] - [ -0.0033617600000000, 0.0007555800000000, -0.0016973400000000 ] - [ 0.0037870200000000, -0.0014972700000000, 0.0003408300000000 ] - [ 0.0039310400000000, -0.0013381800000000, 0.0004540000000000 ] - [ 0.0043875700000000, -0.0002355600000000, 0.0000334900000000 ] - [ 0.0033436200000000, 0.0000884900000000, 0.0016317700000000 ] - [ -0.0005748900000000, -0.0002858000000000, 0.0013937400000000 ] - [ -0.0007509800000000, 0.0010466700000000, 0.0016379200000000 ] - [ 0.0083099600000000, 0.0020395800000000, 0.0007156400000000 ] - [ 0.0036062800000000, 0.0023306400000000, 0.0007873500000000 ] - [ 0.0006524100000000, -0.0001720700000000, -0.0011284700000000 ] - [ 0.0019499500000000, -0.0001724400000000, -0.0015332300000000 ] - [ 0.0014918100000000, -0.0020427600000000, 0.0004229700000000 ] - [ 0.0012013200000000, -0.0015961400000000, 0.0005555600000000 ] - [ 0.0008897000000000, 0.0006102900000000, -0.0013201700000000 ] - [ 0.0005309000000000, 0.0011197800000000, -0.0019247300000000 ] - [ 0.0030110100000000, 0.0010800400000000, 0.0012799700000000 ] - [ 0.0045983400000000, 0.0031089700000000, 0.0026021300000000 ] - [ -0.0051394600000000, -0.0031618500000000, 0.0048980900000000 ] - [ -0.0037815200000000, -0.0010757800000000, -0.0004712100000000 ] - [ 0.0008632900000000, 0.0025942800000000, -0.0002122600000000 ] - [ 0.0016394300000000, 0.0020585700000000, 0.0007034300000000 ] - [ -0.0019536800000000, 0.0005221200000000, -0.0027449700000000 ] - [ -0.0013425900000000, 0.0024263600000000, -0.0006155300000000 ] - [ -0.0050243600000000, 0.0059808800000000, 0.0059938000000000 ] - [ -0.0040167700000000, 0.0030656200000000, -0.0009121800000000 ] - [ -0.0010274900000000, -0.0019194400000000, -0.0003564200000000 ] - [ -0.0014141700000000, -0.0017154800000000, -0.0005434200000000 ] - [ -0.0006493600000000, -0.0006859100000000, 0.0017156700000000 ] - [ -0.0005281700000000, -0.0006858900000000, 0.0017080800000000 ] - [ -0.0033738100000000, -0.0003171400000000, -0.0015185400000000 ] - [ -0.0034456300000000, -0.0002006600000000, -0.0015977000000000 ] - [ -0.0034155400000000, 0.0003589700000000, -0.0015488800000000 ] - [ -0.0034693600000000, 0.0001882800000000, -0.0015645400000000 ] - [ 0.0037673300000000, -0.0019714500000000, 0.0006641700000000 ] - [ 0.0037704300000000, -0.0013495300000000, 0.0005094600000000 ] - [ 0.0035015500000000, -0.0003998900000000, 0.0015986600000000 ] - [ 0.0034933100000000, -0.0001655000000000, 0.0015322400000000 ] - [ -0.0006074700000000, 0.0005741700000000, 0.0016084700000000 ] - [ -0.0007090100000000, 0.0008339600000000, 0.0017075500000000 ] - [ 0.0047466700000000, 0.0014377600000000, -0.0000733700000000 ] - [ 0.0037010800000000, 0.0019239600000000, 0.0007577100000000 ] - [ 0.0012221400000000, -0.0014131000000000, -0.0015600800000000 ] - [ 0.0005617400000000, -0.0005108400000000, -0.0016910300000000 ] - [ 0.0013385100000000, -0.0022118200000000, 0.0011015800000000 ] - [ 0.0012245800000000, -0.0016689000000000, 0.0004198100000000 ] - [ 0.0009258400000000, 0.0002333200000000, -0.0017283600000000 ] - [ 0.0006952800000000, 0.0008565700000000, -0.0016357100000000 ] - [ 0.0033863500000000, 0.0000156800000000, 0.0014827500000000 ] - [ 0.0033717500000000, 0.0005211600000000, 0.0015735500000000 ] - [ -0.0038076600000000, -0.0016794500000000, -0.0006504600000000 ] - [ -0.0036679900000000, -0.0015812500000000, -0.0005652800000000 ] - [ 0.0007724800000000, 0.0007224600000000, 0.0004603000000000 ] - [ 0.0012367100000000, 0.0021049200000000, 0.0005394800000000 ] - [ -0.0013280800000000, 0.0019308500000000, -0.0005127000000000 ] - [ -0.0011305400000000, 0.0018971500000000, -0.0005761500000000 ] - [ -0.0035312700000000, 0.0013537800000000, -0.0005524700000000 ] - [ -0.0038213700000000, 0.0018649600000000, -0.0006587700000000 ] - [ -0.0002554600000000, -0.0029246300000000, -0.0000743900000000 ] - [ 0.0000805400000000, -0.0024717800000000, -0.0000114800000000 ] - [ -0.0003762900000000, 0.0021382100000000, 0.0001228600000000 ] - [ 0.0000776300000000, 0.0030303100000000, 0.0000141900000000 ] - [ 0.0002520700000000, -0.0019383800000000, -0.0002782200000000 ] - [ -0.0002759400000000, -0.0027738100000000, -0.0000264200000000 ] - [ -0.0019096300000000, 0.0052218600000000, -0.0004933400000000 ] - [ 0.0000317500000000, 0.0032966300000000, 0.0001110100000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012791000000000, 0.0033777400000000, 0.0029483100000000 ] - [ 0.0020249700000000, 0.0026268400000000, 0.0048442800000000 ] - [ -0.0002896300000000, 0.0006849100000000, -0.0002471600000000 ] - [ 0.0004165400000000, 0.0008029100000000, 0.0001195500000000 ] - [ 0.0012308900000000, -0.0008650200000000, -0.0003348900000000 ] - [ -0.0003276700000000, -0.0002305100000000, 0.0000398700000000 ] - [ 0.0042663800000000, -0.0099157300000000, -0.0033651300000000 ] - [ -0.0018920900000000, -0.0002121900000000, -0.0044657200000000 ] - [ -0.0044905300000000, -0.0154786700000000, 0.0116759700000000 ] - [ 0.0022250600000000, -0.0004037300000000, 0.0043077600000000 ] - [ -0.0015580100000000, -0.0001276800000000, -0.0050928300000000 ] - [ -0.0022479800000000, 0.0026214000000000, -0.0042488800000000 ] - [ 0.0024685800000000, 0.0011991300000000, 0.0043989600000000 ] - [ 0.0023278200000000, 0.0021193400000000, 0.0042923900000000 ] - [ -0.0005724000000000, -0.0015260700000000, -0.0010459300000000 ] - [ -0.0001250800000000, 0.0013281900000000, 0.0000254800000000 ] - [ -0.0147652400000000, -0.0155636700000000, -0.0051820000000000 ] - [ -0.0001867200000000, 0.0004096800000000, 0.0001098900000000 ] - [ -0.0026403400000000, -0.0023274000000000, -0.0042840100000000 ] - [ -0.0021370100000000, -0.0011837700000000, -0.0042853500000000 ] - [ 0.0026034400000000, -0.0020160300000000, 0.0044262600000000 ] - [ 0.0023533400000000, -0.0014739900000000, 0.0042585800000000 ] - [ -0.0020754600000000, 0.0019567200000000, -0.0043536400000000 ] - [ -0.0024255500000000, 0.0017300300000000, -0.0042950400000000 ] - [ -0.0002574200000000, -0.0008413500000000, 0.0006935400000000 ] - [ -0.0020325800000000, -0.0004465800000000, -0.0005419700000000 ] - [ 0.0014957300000000, -0.0042431400000000, -0.0011377300000000 ] - [ 0.0015241100000000, -0.0003323400000000, -0.0002118700000000 ] - [ -0.0013859500000000, 0.0014282800000000, 0.0000569000000000 ] - [ -0.0003381500000000, 0.0013221600000000, -0.0009114100000000 ] - [ -0.0017141600000000, -0.0163797800000000, 0.0257339300000000 ] - [ 0.0010695400000000, 0.0018074600000000, 0.0004588900000000 ] - [ -0.0010818800000000, -0.0025215300000000, -0.0004691600000000 ] - [ -0.0012881700000000, -0.0008389500000000, -0.0002035200000000 ] - [ 0.0013619400000000, -0.0014697400000000, 0.0003746600000000 ] - [ 0.0013488800000000, -0.0009846900000000, 0.0003117500000000 ] - [ -0.0012306500000000, 0.0007645600000000, -0.0001198800000000 ] - [ -0.0013786800000000, 0.0014888600000000, -0.0004141300000000 ] - [ 0.0012483000000000, 0.0012196400000000, 0.0002852700000000 ] - [ 0.0014336900000000, 0.0012682100000000, 0.0003927300000000 ] - [ -0.0064759500000000, -0.0053588000000000, 0.0086963100000000 ] - [ -0.0011794800000000, -0.0022460200000000, -0.0005649400000000 ] - [ 0.0219598300000000, 0.0655424900000000, -0.0288916600000000 ] - [ -0.0007967100000000, -0.0011900600000000, 0.0016670600000000 ] - [ -0.0015408600000000, 0.0015426500000000, 0.0029876200000000 ] - [ -0.0033642000000000, -0.0008823800000000, -0.0018927600000000 ] - [ -0.0038731200000000, 0.0018682800000000, -0.0007439600000000 ] - [ -0.0035443600000000, -0.0001462300000000, -0.0014298900000000 ] - [ 0.0037655000000000, -0.0018209700000000, 0.0008868200000000 ] - [ 0.0036207600000000, -0.0019853300000000, 0.0007825500000000 ] - [ 0.0025217200000000, -0.0003707200000000, 0.0030639600000000 ] - [ 0.0035609300000000, -0.0006894800000000, 0.0014962300000000 ] - [ -0.0007996900000000, 0.0017255600000000, 0.0019526400000000 ] - [ -0.0006266700000000, 0.0004044900000000, 0.0017178800000000 ] - [ -0.0007412800000000, 0.0012834500000000, 0.0005240500000000 ] - [ 0.0039457700000000, 0.0009985100000000, 0.0004500400000000 ] - [ 0.0007203100000000, -0.0012731600000000, -0.0022278900000000 ] - [ -0.0005675000000000, -0.0012736700000000, -0.0018228100000000 ] - [ 0.0011069300000000, -0.0016960500000000, 0.0005955400000000 ] - [ 0.0013951000000000, -0.0021395800000000, 0.0004648300000000 ] - [ 0.0004874900000000, 0.0008368900000000, -0.0020349100000000 ] - [ 0.0008458000000000, 0.0003311600000000, -0.0014315200000000 ] - [ 0.0039024500000000, -0.0004813600000000, 0.0018521200000000 ] - [ 0.0023283700000000, -0.0024436500000000, 0.0005405000000000 ] - [ -0.0024206400000000, -0.0001806800000000, -0.0061492200000000 ] - [ -0.0037697500000000, -0.0022455400000000, -0.0007644700000000 ] - [ 0.0017326900000000, 0.0011455600000000, 0.0012304500000000 ] - [ 0.0009590300000000, 0.0016797700000000, 0.0003167100000000 ] - [ -0.0006688800000000, 0.0032096900000000, 0.0016400800000000 ] - [ -0.0012551900000000, 0.0013181600000000, -0.0004055300000000 ] - [ -0.0025238800000000, -0.0026573800000000, -0.0072840500000000 ] - [ -0.0035348900000000, 0.0002741100000000, -0.0003288100000000 ] - [ -0.0015688400000000, -0.0018186900000000, -0.0006636200000000 ] - [ -0.0011847400000000, -0.0020214100000000, -0.0004774200000000 ] - [ -0.0007276200000000, -0.0007627200000000, 0.0016416500000000 ] - [ -0.0008484700000000, -0.0007627900000000, 0.0016490700000000 ] - [ -0.0035307200000000, -0.0002882100000000, -0.0016079600000000 ] - [ -0.0034607800000000, -0.0004034000000000, -0.0015294300000000 ] - [ -0.0034911800000000, 0.0002457100000000, -0.0015767200000000 ] - [ -0.0034371700000000, 0.0004163100000000, -0.0015608900000000 ] - [ 0.0037804300000000, -0.0013559200000000, 0.0005715100000000 ] - [ 0.0037810400000000, -0.0019739500000000, 0.0007276200000000 ] - [ 0.0034046300000000, -0.0002053400000000, 0.0015270400000000 ] - [ 0.0034132700000000, -0.0004379300000000, 0.0015935500000000 ] - [ -0.0007704500000000, 0.0008746300000000, 0.0017473800000000 ] - [ -0.0006689800000000, 0.0006154400000000, 0.0016491600000000 ] - [ 0.0028114700000000, 0.0018890300000000, 0.0013095000000000 ] - [ 0.0038503900000000, 0.0014036900000000, 0.0004808600000000 ] - [ 0.0001550300000000, -0.0000348400000000, -0.0017936800000000 ] - [ 0.0008150900000000, -0.0009362000000000, -0.0016659600000000 ] - [ 0.0012581800000000, -0.0015311600000000, -0.0000822400000000 ] - [ 0.0013732100000000, -0.0020679600000000, 0.0005994800000000 ] - [ 0.0004523800000000, 0.0012153800000000, -0.0016303100000000 ] - [ 0.0006827700000000, 0.0005935500000000, -0.0017207700000000 ] - [ 0.0035236100000000, 0.0005880000000000, 0.0016452900000000 ] - [ 0.0035342700000000, 0.0000850800000000, 0.0015531000000000 ] - [ -0.0037437100000000, -0.0016467500000000, -0.0005871900000000 ] - [ -0.0038826600000000, -0.0017438900000000, -0.0006720300000000 ] - [ 0.0018441700000000, 0.0030145900000000, 0.0005556300000000 ] - [ 0.0013610000000000, 0.0016352300000000, 0.0004816200000000 ] - [ -0.0012704200000000, 0.0018077100000000, -0.0005077800000000 ] - [ -0.0014672300000000, 0.0018421000000000, -0.0004443800000000 ] - [ -0.0040181700000000, 0.0019699500000000, -0.0006856900000000 ] - [ -0.0037302100000000, 0.0014620400000000, -0.0005793200000000 ] - [ 0.0002517700000000, -0.0024711200000000, 0.0000730200000000 ] - [ -0.0000799800000000, -0.0029206400000000, 0.0000110600000000 ] - [ 0.0003829400000000, 0.0032559800000000, -0.0001239600000000 ] - [ -0.0000768400000000, 0.0023657500000000, -0.0000135100000000 ] - [ -0.0002486700000000, -0.0034502400000000, 0.0002743900000000 ] - [ 0.0002796100000000, -0.0026198700000000, 0.0000227900000000 ] - [ 0.0018759000000000, 0.0002140700000000, 0.0004850500000000 ] - [ -0.0000308400000000, 0.0021056100000000, -0.0001136100000000 ]- atom: 43 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0013334700000000, 0.0044113600000000, 0.0028444900000000 ] - [ 0.0014985600000000, -0.0003704100000000, 0.0043137900000000 ] - [ -0.0004585200000000, 0.0010990300000000, 0.0001324000000000 ] - [ -0.0000045800000000, 0.0005878600000000, -0.0000619200000000 ] - [ 0.0005385400000000, -0.0006273100000000, -0.0000329900000000 ] - [ -0.0000126900000000, -0.0006151600000000, 0.0000043100000000 ] - [ -0.0033919900000000, -0.0024591700000000, 0.0019593700000000 ] - [ -0.0021839000000000, -0.0013600300000000, -0.0039725600000000 ] - [ -0.0018617200000000, -0.0095492200000000, 0.0116402000000000 ] - [ 0.0030190800000000, -0.0027278400000000, 0.0050836700000000 ] - [ -0.0035995200000000, 0.0014160300000000, -0.0078295000000000 ] - [ -0.0022738900000000, 0.0019063500000000, -0.0044435600000000 ] - [ 0.0023045200000000, 0.0014675800000000, 0.0043071000000000 ] - [ 0.0023868300000000, 0.0017731400000000, 0.0043713500000000 ] - [ 0.0025604700000000, 0.0005452400000000, -0.0027435100000000 ] - [ -0.0000437400000000, 0.0011636600000000, -0.0000207900000000 ] - [ 0.0029709700000000, 0.0020806300000000, 0.0075424200000000 ] - [ -0.0002548700000000, -0.0001516900000000, 0.0001556200000000 ] - [ -0.0025730400000000, -0.0021475600000000, -0.0037909900000000 ] - [ -0.0024948700000000, -0.0017867300000000, -0.0042648600000000 ] - [ 0.0023118500000000, -0.0018707700000000, 0.0042870600000000 ] - [ 0.0023119600000000, -0.0017256000000000, 0.0042651100000000 ] - [ -0.0020931000000000, 0.0018014500000000, -0.0045478400000000 ] - [ -0.0020866100000000, 0.0016556700000000, -0.0044401800000000 ] - [ -0.0012531400000000, -0.0008377500000000, 0.0007676800000000 ] - [ -0.0019365900000000, -0.0011873700000000, -0.0002523600000000 ] - [ 0.0007675800000000, -0.0017388600000000, -0.0018218400000000 ] - [ 0.0015878600000000, -0.0007137900000000, -0.0004676600000000 ] - [ -0.0008178500000000, 0.0019619600000000, -0.0009494800000000 ] - [ -0.0017315400000000, 0.0010949500000000, -0.0009706300000000 ] - [ -0.0054933000000000, -0.0255264600000000, 0.1078587600000000 ] - [ 0.0012180300000000, 0.0013412800000000, 0.0007479900000000 ] - [ -0.0006348300000000, -0.0001738000000000, 0.0003521300000000 ] - [ -0.0012711500000000, -0.0010532600000000, -0.0001463300000000 ] - [ 0.0012854400000000, -0.0012821700000000, 0.0002162200000000 ] - [ 0.0012504500000000, -0.0011413200000000, 0.0002794700000000 ] - [ -0.0015698200000000, 0.0011597100000000, -0.0007420900000000 ] - [ -0.0013460700000000, 0.0013091200000000, -0.0005154000000000 ] - [ 0.0013550600000000, 0.0012888800000000, 0.0004700500000000 ] - [ 0.0014101000000000, 0.0011155300000000, 0.0004279200000000 ] - [ -0.0055460600000000, -0.0086128500000000, 0.0077784000000000 ] - [ -0.0012494000000000, -0.0019086300000000, -0.0006832200000000 ] - [ 0.0129889000000000, 0.0338852200000000, -0.1637823700000000 ] - [ -0.0007226500000000, -0.0007287200000000, 0.0013504800000000 ] - [ 0.0003142600000000, -0.0033309200000000, 0.0049990300000000 ] - [ -0.0033735700000000, -0.0003886600000000, -0.0017933000000000 ] - [ -0.0064414200000000, 0.0007635100000000, 0.0035054500000000 ] - [ -0.0035596000000000, 0.0001657900000000, -0.0013823700000000 ] - [ 0.0036597400000000, -0.0025959000000000, 0.0016378900000000 ] - [ 0.0038665400000000, -0.0016592200000000, 0.0008261000000000 ] - [ 0.0041162200000000, 0.0002341600000000, 0.0039042200000000 ] - [ 0.0031451600000000, -0.0004221900000000, 0.0022196100000000 ] - [ -0.0007727900000000, 0.0010185700000000, 0.0025781400000000 ] - [ -0.0006944500000000, 0.0007565000000000, 0.0019714600000000 ] - [ 0.0037437700000000, 0.0015835100000000, -0.0009253500000000 ] - [ 0.0038043100000000, 0.0014424800000000, 0.0004017900000000 ] - [ 0.0005124200000000, -0.0006836300000000, -0.0012124300000000 ] - [ -0.0005570100000000, -0.0012702900000000, -0.0013729500000000 ] - [ 0.0013161800000000, -0.0018115300000000, 0.0008397600000000 ] - [ 0.0012844400000000, -0.0020787900000000, 0.0006478500000000 ] - [ 0.0009820600000000, 0.0010519600000000, -0.0020077100000000 ] - [ 0.0009602300000000, 0.0005023600000000, -0.0017723200000000 ] - [ 0.0039157500000000, 0.0001226200000000, 0.0009095000000000 ] - [ 0.0036431400000000, 0.0003500700000000, 0.0001915900000000 ] - [ -0.0051481200000000, 0.0006040500000000, 0.0097573800000000 ] - [ -0.0037454600000000, -0.0019949300000000, -0.0007867400000000 ] - [ 0.0011013500000000, 0.0024142100000000, -0.0006882700000000 ] - [ 0.0011970100000000, 0.0017145600000000, 0.0003370100000000 ] - [ 0.0013023900000000, 0.0015739000000000, 0.0101425700000000 ] - [ -0.0012700100000000, 0.0016238400000000, -0.0002772000000000 ] - [ -0.0044467000000000, 0.0096294900000000, 0.0034542900000000 ] - [ -0.0034642100000000, 0.0001976900000000, -0.0001516200000000 ] - [ -0.0013761000000000, -0.0018469700000000, -0.0006035500000000 ] - [ -0.0014381500000000, -0.0018019900000000, -0.0006427400000000 ] - [ -0.0006439000000000, -0.0007177200000000, 0.0016400600000000 ] - [ -0.0007433400000000, -0.0006937500000000, 0.0016260100000000 ] - [ -0.0035517200000000, -0.0002211800000000, -0.0016044500000000 ] - [ -0.0034554900000000, -0.0003295400000000, -0.0016258700000000 ] - [ -0.0034353000000000, 0.0002809700000000, -0.0015048300000000 ] - [ -0.0034283100000000, 0.0003333300000000, -0.0015497900000000 ] - [ 0.0037099100000000, -0.0016411400000000, 0.0008627300000000 ] - [ 0.0037302900000000, -0.0018654600000000, 0.0007375500000000 ] - [ 0.0035119100000000, -0.0002961000000000, 0.0017023500000000 ] - [ 0.0034171400000000, -0.0003548900000000, 0.0016207500000000 ] - [ -0.0007167500000000, 0.0008050100000000, 0.0017819200000000 ] - [ -0.0006656900000000, 0.0006933600000000, 0.0017258200000000 ] - [ 0.0046261300000000, 0.0014251500000000, -0.0006655700000000 ] - [ 0.0038611200000000, 0.0015288400000000, 0.0004763000000000 ] - [ 0.0010936100000000, -0.0007681800000000, -0.0014815600000000 ] - [ 0.0007707700000000, -0.0007297000000000, -0.0015625600000000 ] - [ 0.0013069300000000, -0.0019240300000000, 0.0007461100000000 ] - [ 0.0013279300000000, -0.0018826500000000, 0.0006213900000000 ] - [ 0.0000618400000000, 0.0006424300000000, -0.0018518900000000 ] - [ 0.0006445100000000, 0.0007662700000000, -0.0017870900000000 ] - [ 0.0031975000000000, 0.0001564000000000, 0.0013897300000000 ] - [ 0.0034833700000000, 0.0002286100000000, 0.0015259400000000 ] - [ -0.0038305800000000, -0.0017617800000000, -0.0006808400000000 ] - [ -0.0038172300000000, -0.0016398200000000, -0.0006477100000000 ] - [ -0.0005468500000000, 0.0015506300000000, 0.0003068400000000 ] - [ 0.0013196900000000, 0.0018300900000000, 0.0004208400000000 ] - [ -0.0012507100000000, 0.0018315700000000, -0.0004511500000000 ] - [ -0.0013682700000000, 0.0018797800000000, -0.0004300000000000 ] - [ -0.0037705800000000, 0.0016500000000000, -0.0006042700000000 ] - [ -0.0037466600000000, 0.0016134100000000, -0.0005789000000000 ] - [ 0.0005576200000000, -0.0026705700000000, 0.0000754600000000 ] - [ -0.0000136400000000, -0.0027200800000000, -0.0000081300000000 ] - [ -0.0003107800000000, 0.0027295200000000, -0.0000185200000000 ] - [ -0.0000287200000000, 0.0025836300000000, -0.0000108600000000 ] - [ -0.0004356700000000, -0.0036086800000000, 0.0004896900000000 ] - [ -0.0006890900000000, -0.0023109200000000, 0.0002603700000000 ] - [ 0.0010336300000000, 0.0017990000000000, -0.0000560600000000 ] - [ 0.0000237900000000, 0.0031757900000000, -0.0002727900000000 ]- atom: 43 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ 0.0033501600000000, -0.0008550300000000, 0.0057472400000000 ] - [ 0.0031847700000000, 0.0038812700000000, 0.0042916600000000 ] - [ 0.0004509900000000, 0.0001988100000000, -0.0001313500000000 ] - [ 0.0000006800000000, 0.0007029200000000, 0.0000627100000000 ] - [ -0.0005396200000000, -0.0006585900000000, 0.0000261500000000 ] - [ 0.0000134700000000, -0.0006789300000000, -0.0000035400000000 ] - [ -0.0013118600000000, -0.0010584600000000, -0.0105207400000000 ] - [ -0.0025047200000000, -0.0021727000000000, -0.0046340000000000 ] - [ 0.0067198000000000, 0.0063738200000000, -0.0032386600000000 ] - [ 0.0016730800000000, -0.0008134100000000, 0.0035149500000000 ] - [ -0.0010965900000000, 0.0021034000000000, -0.0007938600000000 ] - [ -0.0024159500000000, 0.0016220400000000, -0.0041597300000000 ] - [ 0.0023815600000000, 0.0020609800000000, 0.0042960700000000 ] - [ 0.0023024700000000, 0.0017557000000000, 0.0042324500000000 ] - [ -0.0025370300000000, 0.0007526700000000, 0.0027240000000000 ] - [ 0.0000454600000000, 0.0001299600000000, 0.0000219600000000 ] - [ -0.0029744100000000, -0.0033663300000000, -0.0074833700000000 ] - [ 0.0002592300000000, -0.0011375300000000, -0.0001564600000000 ] - [ -0.0021184500000000, -0.0013788200000000, -0.0048090100000000 ] - [ -0.0021983500000000, -0.0017463500000000, -0.0043369900000000 ] - [ 0.0023733500000000, -0.0016613000000000, 0.0043155900000000 ] - [ 0.0023758300000000, -0.0018045800000000, 0.0043373500000000 ] - [ -0.0025964700000000, 0.0017243000000000, -0.0040594900000000 ] - [ -0.0026003400000000, 0.0018745200000000, -0.0041637100000000 ] - [ -0.0013364500000000, -0.0015132500000000, -0.0014340100000000 ] - [ -0.0006426100000000, -0.0011725800000000, -0.0004208400000000 ] - [ 0.0018648700000000, -0.0006174000000000, 0.0024513700000000 ] - [ 0.0009913600000000, -0.0016464400000000, 0.0011498700000000 ] - [ -0.0017622200000000, 0.0004018900000000, 0.0002566400000000 ] - [ -0.0008515900000000, 0.0012606700000000, 0.0003001500000000 ] - [ 0.0079288400000000, 0.0262762700000000, -0.1016377200000000 ] - [ 0.0013638100000000, 0.0010157800000000, -0.0000669900000000 ] - [ -0.0019470500000000, -0.0021813600000000, -0.0010271900000000 ] - [ -0.0013101800000000, -0.0013041100000000, -0.0005317300000000 ] - [ 0.0012938000000000, -0.0010730600000000, 0.0004605100000000 ] - [ 0.0013281800000000, -0.0012171600000000, 0.0003992500000000 ] - [ -0.0010178200000000, 0.0012014500000000, 0.0000545300000000 ] - [ -0.0012341000000000, 0.0010473000000000, -0.0001649600000000 ] - [ 0.0012256400000000, 0.0010681100000000, 0.0002107500000000 ] - [ 0.0011698700000000, 0.0012420700000000, 0.0002507600000000 ] - [ 0.0028653200000000, 0.0047481300000000, -0.0086647900000000 ] - [ -0.0013362300000000, -0.0018206000000000, -0.0003354600000000 ] - [ -0.0143128800000000, -0.0339184100000000, 0.1615320600000000 ] - [ -0.0006550200000000, -0.0007260800000000, 0.0020047800000000 ] - [ -0.0071371200000000, 0.0026543100000000, -0.0079897400000000 ] - [ -0.0035406400000000, -0.0002153700000000, -0.0013320100000000 ] - [ -0.0004187600000000, -0.0001642500000000, -0.0067034100000000 ] - [ -0.0033553300000000, 0.0004406300000000, -0.0017415500000000 ] - [ 0.0038850500000000, -0.0007488900000000, -0.0004050700000000 ] - [ 0.0036800500000000, -0.0016764300000000, 0.0004034300000000 ] - [ 0.0027943800000000, -0.0008421300000000, -0.0007676800000000 ] - [ 0.0037698000000000, -0.0001839900000000, 0.0009094500000000 ] - [ -0.0006118200000000, 0.0004402000000000, 0.0007987600000000 ] - [ -0.0006824000000000, 0.0007012200000000, 0.0013840200000000 ] - [ 0.0037637400000000, 0.0017250800000000, 0.0021423800000000 ] - [ 0.0037403700000000, 0.0018953100000000, 0.0008261900000000 ] - [ 0.0008589000000000, -0.0007605500000000, -0.0021255600000000 ] - [ 0.0019475200000000, -0.0001786600000000, -0.0019769100000000 ] - [ 0.0012710000000000, -0.0019166400000000, 0.0001789100000000 ] - [ 0.0013011800000000, -0.0016523600000000, 0.0003725300000000 ] - [ 0.0003970600000000, 0.0004083700000000, -0.0013502800000000 ] - [ 0.0004190500000000, 0.0009528100000000, -0.0015862300000000 ] - [ 0.0029993300000000, 0.0004883600000000, 0.0022057100000000 ] - [ 0.0032716900000000, 0.0002531800000000, 0.0029334800000000 ] - [ -0.0024246700000000, -0.0038761800000000, -0.0108177200000000 ] - [ -0.0038003200000000, -0.0013421800000000, -0.0004433800000000 ] - [ 0.0014831600000000, 0.0013207900000000, 0.0016932200000000 ] - [ 0.0013886800000000, 0.0020114300000000, 0.0006783900000000 ] - [ -0.0039471200000000, 0.0021912700000000, -0.0113100600000000 ] - [ -0.0013162000000000, 0.0021082800000000, -0.0007397400000000 ] - [ -0.0031137300000000, -0.0063793900000000, -0.0046605500000000 ] - [ -0.0040851100000000, 0.0031501400000000, -0.0010813700000000 ] - [ -0.0012105800000000, -0.0018841000000000, -0.0004146000000000 ] - [ -0.0011476300000000, -0.0019270300000000, -0.0003747600000000 ] - [ -0.0007324600000000, -0.0007376500000000, 0.0017136600000000 ] - [ -0.0006328600000000, -0.0007624200000000, 0.0017280100000000 ] - [ -0.0033627700000000, -0.0003856200000000, -0.0015204000000000 ] - [ -0.0034595800000000, -0.0002757100000000, -0.0014987300000000 ] - [ -0.0034782200000000, 0.0003255200000000, -0.0016183400000000 ] - [ -0.0034859100000000, 0.0002712200000000, -0.0015733300000000 ] - [ 0.0038359800000000, -0.0016978200000000, 0.0003727300000000 ] - [ 0.0038152600000000, -0.0014698600000000, 0.0004925000000000 ] - [ 0.0034053100000000, -0.0003093100000000, 0.0014244700000000 ] - [ 0.0034978500000000, -0.0002504400000000, 0.0015040300000000 ] - [ -0.0006588100000000, 0.0006506500000000, 0.0015731400000000 ] - [ -0.0007097300000000, 0.0007634500000000, 0.0016296500000000 ] - [ 0.0029238300000000, 0.0019101200000000, 0.0018892500000000 ] - [ 0.0036841300000000, 0.0018063300000000, 0.0007529100000000 ] - [ 0.0002940800000000, -0.0006949200000000, -0.0018696800000000 ] - [ 0.0006058700000000, -0.0007248200000000, -0.0017902900000000 ] - [ 0.0012839800000000, -0.0018060300000000, 0.0002838300000000 ] - [ 0.0012570700000000, -0.0018469900000000, 0.0003955300000000 ] - [ 0.0013102100000000, 0.0008132300000000, -0.0015056900000000 ] - [ 0.0007318700000000, 0.0006903400000000, -0.0015681900000000 ] - [ 0.0037177300000000, 0.0004477800000000, 0.0017334100000000 ] - [ 0.0034315300000000, 0.0003773300000000, 0.0015977500000000 ] - [ -0.0037154600000000, -0.0015744300000000, -0.0005491400000000 ] - [ -0.0037283500000000, -0.0016961500000000, -0.0005824200000000 ] - [ 0.0031253600000000, 0.0021777900000000, 0.0006986400000000 ] - [ 0.0012656100000000, 0.0019008400000000, 0.0005954900000000 ] - [ -0.0013342200000000, 0.0018988400000000, -0.0005643000000000 ] - [ -0.0012156600000000, 0.0018499400000000, -0.0005852900000000 ] - [ -0.0037736500000000, 0.0016838100000000, -0.0006242400000000 ] - [ -0.0037988400000000, 0.0017228900000000, -0.0006507400000000 ] - [ -0.0005498800000000, -0.0027253200000000, -0.0000758600000000 ] - [ 0.0000143700000000, -0.0026743000000000, 0.0000072800000000 ] - [ 0.0003070900000000, 0.0026624900000000, 0.0000197800000000 ] - [ 0.0000298100000000, 0.0028128600000000, 0.0000115100000000 ] - [ 0.0004317900000000, -0.0017901000000000, -0.0004874300000000 ] - [ 0.0006826400000000, -0.0030811600000000, -0.0002597200000000 ] - [ -0.0010335000000000, 0.0035867200000000, 0.0000587200000000 ] - [ -0.0000236000000000, 0.0022380900000000, 0.0002694500000000 ]- atom: 45 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0141231500000000, 0.0078954200000000, 0.0019455800000000 ] - [ 0.0038329500000000, 0.0031458900000000, 0.0045820900000000 ] - [ -0.0012543400000000, 0.0013716300000000, -0.0005309600000000 ] - [ -0.0003668600000000, 0.0005643200000000, -0.0001294700000000 ] - [ -0.0007207300000000, -0.0009171500000000, 0.0000822100000000 ] - [ -0.0009733700000000, 0.0000993300000000, 0.0005083600000000 ] - [ -0.0000783300000000, -0.0016970800000000, -0.0017944700000000 ] - [ -0.0020804500000000, -0.0015529200000000, -0.0043287800000000 ] - [ 0.0038043200000000, -0.0009544000000000, 0.0041926400000000 ] - [ 0.0029828300000000, -0.0015912300000000, 0.0045292200000000 ] - [ 0.0016521500000000, -0.0008309500000000, -0.0083890600000000 ] - [ -0.0018639600000000, 0.0021582900000000, -0.0042501000000000 ] - [ 0.0012296800000000, 0.0016647100000000, 0.0044696700000000 ] - [ 0.0020469900000000, 0.0019230200000000, 0.0042185400000000 ] - [ -0.0017710000000000, 0.0009034700000000, 0.0010179600000000 ] - [ 0.0000103800000000, 0.0004691100000000, 0.0000512400000000 ] - [ -0.0004724600000000, -0.0009772300000000, -0.0018063300000000 ] - [ 0.0001090100000000, -0.0004455700000000, -0.0000184700000000 ] - [ -0.0027547800000000, -0.0014383500000000, -0.0045119300000000 ] - [ -0.0027402200000000, -0.0020469400000000, -0.0044084600000000 ] - [ 0.0015923900000000, -0.0018739700000000, 0.0039717500000000 ] - [ 0.0021339500000000, -0.0016459800000000, 0.0042840000000000 ] - [ -0.0029051900000000, 0.0014351700000000, -0.0042576800000000 ] - [ -0.0029728100000000, 0.0020605900000000, -0.0042794700000000 ] - [ -0.0007408400000000, -0.0023476500000000, -0.0005112800000000 ] - [ -0.0000998400000000, 0.0001781000000000, 0.0000696800000000 ] - [ 0.0026493200000000, -0.0010792900000000, 0.0019837200000000 ] - [ 0.0015069200000000, -0.0011019700000000, 0.0004500600000000 ] - [ 0.0000991800000000, 0.0032717000000000, 0.0000450300000000 ] - [ -0.0010957300000000, 0.0013188100000000, -0.0002214200000000 ] - [ 0.0923141400000000, -0.0316054400000000, 0.0252585000000000 ] - [ 0.0016580600000000, 0.0011252400000000, 0.0000509900000000 ] - [ -0.0025096200000000, -0.0007710400000000, -0.0006396300000000 ] - [ -0.0014325200000000, -0.0011049200000000, -0.0003960900000000 ] - [ 0.0011470600000000, -0.0012095100000000, 0.0002864000000000 ] - [ 0.0008865200000000, -0.0011423400000000, 0.0003201500000000 ] - [ -0.0017521200000000, 0.0009563800000000, -0.0004002300000000 ] - [ -0.0014366300000000, 0.0012007600000000, -0.0003407100000000 ] - [ 0.0008049700000000, 0.0011688700000000, 0.0002833000000000 ] - [ 0.0009444800000000, 0.0011921200000000, 0.0002796200000000 ] - [ 0.0102550800000000, -0.0002893300000000, 0.0021251600000000 ] - [ -0.0013866500000000, -0.0018377400000000, -0.0004417600000000 ] - [ -0.0005810300000000, -0.0026553500000000, 0.0054731600000000 ] - [ -0.0008609600000000, -0.0008191000000000, 0.0017301800000000 ] - [ -0.1327105100000000, 0.0341781800000000, -0.0276582600000000 ] - [ -0.0037406900000000, -0.0004165100000000, -0.0014996700000000 ] - [ -0.0041604400000000, 0.0006458300000000, -0.0020363100000000 ] - [ -0.0036335400000000, 0.0002691400000000, -0.0016170100000000 ] - [ 0.0021631700000000, -0.0050894300000000, 0.0037752500000000 ] - [ 0.0036120400000000, -0.0016229700000000, 0.0005703800000000 ] - [ 0.0028453200000000, 0.0003444500000000, 0.0015874800000000 ] - [ 0.0028467800000000, -0.0002963700000000, 0.0006977200000000 ] - [ -0.0002035100000000, 0.0003080000000000, -0.0012628700000000 ] - [ -0.0008341100000000, 0.0006405100000000, 0.0015480400000000 ] - [ 0.0039180600000000, 0.0036654600000000, -0.0008412500000000 ] - [ 0.0033418300000000, 0.0012360700000000, 0.0005196500000000 ] - [ 0.0004548900000000, -0.0016561200000000, -0.0010217500000000 ] - [ 0.0004595700000000, -0.0006226100000000, -0.0020181500000000 ] - [ 0.0010422200000000, -0.0019611100000000, 0.0005551400000000 ] - [ 0.0013262400000000, -0.0024343900000000, 0.0003504800000000 ] - [ 0.0003689400000000, 0.0018704400000000, -0.0015336700000000 ] - [ 0.0001177200000000, 0.0002835000000000, -0.0012913400000000 ] - [ 0.0023452900000000, 0.0014477600000000, 0.0025502300000000 ] - [ 0.0031425200000000, 0.0003787100000000, 0.0016300000000000 ] - [ -0.0008658800000000, -0.0084814000000000, -0.0023786100000000 ] - [ -0.0039381400000000, -0.0010953500000000, -0.0002450300000000 ] - [ 0.0045300800000000, -0.0021618400000000, -0.0021304300000000 ] - [ 0.0012766900000000, 0.0020384600000000, 0.0005148700000000 ] - [ -0.0014293600000000, 0.0016977300000000, 0.0000502400000000 ] - [ -0.0014214100000000, 0.0017964100000000, -0.0005767700000000 ] - [ -0.0045960900000000, 0.0019856400000000, -0.0012999400000000 ] - [ -0.0038663600000000, 0.0016114400000000, -0.0006174300000000 ] - [ -0.0010893400000000, -0.0018398500000000, -0.0004277700000000 ] - [ -0.0008620000000000, -0.0020221400000000, -0.0002645400000000 ] - [ -0.0001943900000000, -0.0006534800000000, 0.0016461400000000 ] - [ -0.0004593500000000, -0.0007237200000000, 0.0017053900000000 ] - [ -0.0032281100000000, -0.0003446100000000, -0.0015363400000000 ] - [ -0.0032283700000000, -0.0003213100000000, -0.0015325100000000 ] - [ -0.0031902900000000, 0.0003914600000000, -0.0014800600000000 ] - [ -0.0033399300000000, 0.0002878200000000, -0.0015135100000000 ] - [ 0.0041286500000000, -0.0017208000000000, 0.0005765100000000 ] - [ 0.0038699800000000, -0.0016549400000000, 0.0005994700000000 ] - [ 0.0039216100000000, -0.0001309300000000, 0.0016955300000000 ] - [ 0.0035625200000000, -0.0003505400000000, 0.0015898000000000 ] - [ -0.0005159700000000, 0.0007471600000000, 0.0017252400000000 ] - [ -0.0004190200000000, 0.0006936600000000, 0.0017321100000000 ] - [ 0.0046980300000000, 0.0018378900000000, 0.0012074700000000 ] - [ 0.0038385800000000, 0.0015968000000000, 0.0006121100000000 ] - [ 0.0009715600000000, -0.0007795800000000, -0.0015757700000000 ] - [ 0.0007947200000000, -0.0007712100000000, -0.0016961100000000 ] - [ 0.0016377500000000, -0.0017755800000000, 0.0005435500000000 ] - [ 0.0013663700000000, -0.0019841700000000, 0.0004799800000000 ] - [ 0.0015398900000000, 0.0006625600000000, -0.0018117100000000 ] - [ 0.0008087200000000, 0.0006500400000000, -0.0016279000000000 ] - [ 0.0037724400000000, 0.0002136700000000, 0.0016480100000000 ] - [ 0.0035856700000000, 0.0002779300000000, 0.0015759900000000 ] - [ -0.0034265200000000, -0.0015499200000000, -0.0005957500000000 ] - [ -0.0036112600000000, -0.0017064700000000, -0.0006045000000000 ] - [ 0.0015268800000000, 0.0016347400000000, 0.0007266800000000 ] - [ 0.0013526500000000, 0.0018439000000000, 0.0005411500000000 ] - [ -0.0009839900000000, 0.0018622300000000, -0.0003872600000000 ] - [ -0.0012063100000000, 0.0018395900000000, -0.0005001000000000 ] - [ -0.0035767600000000, 0.0016474000000000, -0.0006079000000000 ] - [ -0.0034458400000000, 0.0016002000000000, -0.0006069200000000 ] - [ 0.0044951500000000, -0.0023387400000000, 0.0018398600000000 ] - [ 0.0000627300000000, -0.0028117500000000, -0.0000183400000000 ] - [ 0.0004421200000000, 0.0028596400000000, -0.0001164100000000 ] - [ 0.0000500800000000, 0.0025539400000000, -0.0000008100000000 ] - [ 0.0000440100000000, -0.0024053100000000, -0.0000927900000000 ] - [ 0.0011322200000000, -0.0034790300000000, -0.0004771000000000 ] - [ 0.0000035600000000, 0.0024565300000000, 0.0000409900000000 ] - [ -0.0001528300000000, 0.0029797800000000, 0.0001141700000000 ]- atom: 45 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ -0.0095283800000000, -0.0045782000000000, 0.0067378200000000 ] - [ 0.0008580700000000, 0.0003816700000000, 0.0040209800000000 ] - [ 0.0012433800000000, -0.0000819600000000, 0.0005204700000000 ] - [ 0.0003683200000000, 0.0007225000000000, 0.0001288200000000 ] - [ 0.0007182800000000, -0.0003688700000000, -0.0000797800000000 ] - [ 0.0009694000000000, -0.0013810300000000, -0.0005026400000000 ] - [ -0.0046244800000000, -0.0018221800000000, -0.0067631400000000 ] - [ -0.0026124700000000, -0.0019779200000000, -0.0042753000000000 ] - [ 0.0008940500000000, -0.0025732200000000, 0.0044131800000000 ] - [ 0.0017128200000000, -0.0019411000000000, 0.0040723800000000 ] - [ -0.0063384600000000, 0.0043158700000000, -0.0003091500000000 ] - [ -0.0028287500000000, 0.0013732300000000, -0.0043548400000000 ] - [ 0.0034658800000000, 0.0018635900000000, 0.0041363900000000 ] - [ 0.0026465700000000, 0.0016082000000000, 0.0043852000000000 ] - [ 0.0017725400000000, 0.0003761100000000, -0.0010258400000000 ] - [ -0.0000112300000000, 0.0008158000000000, -0.0000514200000000 ] - [ 0.0004676400000000, -0.0003150800000000, 0.0018166200000000 ] - [ -0.0001092900000000, -0.0008400200000000, 0.0000190400000000 ] - [ -0.0019394500000000, -0.0020932200000000, -0.0040919200000000 ] - [ -0.0019542200000000, -0.0014809200000000, -0.0041946100000000 ] - [ 0.0031026400000000, -0.0016569600000000, 0.0046336300000000 ] - [ 0.0025595400000000, -0.0018844000000000, 0.0043197100000000 ] - [ -0.0017896800000000, 0.0020987000000000, -0.0043469000000000 ] - [ -0.0017226500000000, 0.0014699900000000, -0.0043248800000000 ] - [ -0.0018337700000000, -0.0000076000000000, -0.0001818500000000 ] - [ -0.0024676100000000, -0.0025277100000000, -0.0007527300000000 ] - [ -0.0000775400000000, -0.0012778500000000, -0.0012979300000000 ] - [ 0.0010697400000000, -0.0012488900000000, 0.0002358600000000 ] - [ -0.0026841500000000, -0.0009241400000000, -0.0007220700000000 ] - [ -0.0014807800000000, 0.0010358900000000, -0.0004616600000000 ] - [ -0.0936231100000000, 0.0359521000000000, -0.0260895600000000 ] - [ 0.0009200800000000, 0.0012235700000000, 0.0006330900000000 ] - [ -0.0000587200000000, -0.0015847600000000, -0.0000449400000000 ] - [ -0.0011442600000000, -0.0012456500000000, -0.0002895700000000 ] - [ 0.0014299500000000, -0.0011427300000000, 0.0003995000000000 ] - [ 0.0016905800000000, -0.0012096100000000, 0.0003661700000000 ] - [ -0.0008258000000000, 0.0013933800000000, -0.0002853800000000 ] - [ -0.0011395400000000, 0.0011495400000000, -0.0003442800000000 ] - [ 0.0017700000000000, 0.0011811500000000, 0.0004004300000000 ] - [ 0.0016320800000000, 0.0011581000000000, 0.0004057400000000 ] - [ -0.0130580000000000, -0.0034701400000000, -0.0031965900000000 ] - [ -0.0011859200000000, -0.0018822900000000, -0.0005713200000000 ] - [ -0.0007780700000000, 0.0012169100000000, -0.0021318900000000 ] - [ -0.0005139900000000, -0.0006437700000000, 0.0016240300000000 ] - [ 0.1299323100000000, -0.0366090100000000, 0.0260733900000000 ] - [ -0.0031871200000000, -0.0001871300000000, -0.0016239000000000 ] - [ -0.0027618400000000, -0.0000390400000000, -0.0010945900000000 ] - [ -0.0032936800000000, 0.0003362700000000, -0.0015074200000000 ] - [ 0.0053537300000000, 0.0017650200000000, -0.0025858100000000 ] - [ 0.0039296400000000, -0.0017227300000000, 0.0006513100000000 ] - [ 0.0040860700000000, -0.0009557500000000, 0.0015352000000000 ] - [ 0.0040791800000000, -0.0003085800000000, 0.0024241200000000 ] - [ -0.0011803400000000, 0.0011581100000000, 0.0046440000000000 ] - [ -0.0005406900000000, 0.0008223400000000, 0.0018054900000000 ] - [ 0.0036198900000000, -0.0003064800000000, 0.0020499300000000 ] - [ 0.0041966500000000, 0.0021074800000000, 0.0006993400000000 ] - [ 0.0009194400000000, 0.0001953500000000, -0.0023234900000000 ] - [ 0.0009155300000000, -0.0008398800000000, -0.0013392000000000 ] - [ 0.0015267100000000, -0.0017651800000000, 0.0004570600000000 ] - [ 0.0012458900000000, -0.0012843900000000, 0.0006605400000000 ] - [ 0.0010032500000000, -0.0004084100000000, -0.0018158000000000 ] - [ 0.0012549500000000, 0.0011779500000000, -0.0020584600000000 ] - [ 0.0045869900000000, -0.0008355500000000, 0.0005911800000000 ] - [ 0.0037838800000000, 0.0002259500000000, 0.0014942500000000 ] - [ -0.0067045600000000, 0.0052409200000000, 0.0011665300000000 ] - [ -0.0036030900000000, -0.0022458600000000, -0.0009732500000000 ] - [ -0.0019171200000000, 0.0058365200000000, 0.0031003200000000 ] - [ 0.0012958200000000, 0.0016831700000000, 0.0004990500000000 ] - [ -0.0011432100000000, 0.0020255900000000, -0.0010579000000000 ] - [ -0.0011503600000000, 0.0019245700000000, -0.0004360100000000 ] - [ -0.0029480300000000, 0.0013580000000000, 0.0000785200000000 ] - [ -0.0036743300000000, 0.0017336700000000, -0.0006046800000000 ] - [ -0.0014858500000000, -0.0018819800000000, -0.0005858800000000 ] - [ -0.0017111300000000, -0.0016994900000000, -0.0007474800000000 ] - [ -0.0011798100000000, -0.0008109300000000, 0.0017072100000000 ] - [ -0.0009157700000000, -0.0007389100000000, 0.0016477600000000 ] - [ -0.0036993400000000, -0.0002593100000000, -0.0015873300000000 ] - [ -0.0036996900000000, -0.0002839000000000, -0.0015907800000000 ] - [ -0.0037373800000000, 0.0002133200000000, -0.0016437800000000 ] - [ -0.0035870800000000, 0.0003173300000000, -0.0016095800000000 ] - [ 0.0034128500000000, -0.0016229000000000, 0.0006447500000000 ] - [ 0.0036723700000000, -0.0016884300000000, 0.0006209400000000 ] - [ 0.0030072500000000, -0.0004734900000000, 0.0014294400000000 ] - [ 0.0033658600000000, -0.0002536300000000, 0.0015341600000000 ] - [ -0.0008599400000000, 0.0007154300000000, 0.0016282200000000 ] - [ -0.0009573000000000, 0.0007698700000000, 0.0016215200000000 ] - [ 0.0028401300000000, 0.0015069400000000, 0.0000083000000000 ] - [ 0.0037029800000000, 0.0017478500000000, 0.0006082100000000 ] - [ 0.0004039100000000, -0.0006829100000000, -0.0017770300000000 ] - [ 0.0005812200000000, -0.0006919600000000, -0.0016572400000000 ] - [ 0.0009357900000000, -0.0019468300000000, 0.0004694900000000 ] - [ 0.0012079700000000, -0.0017377500000000, 0.0005324700000000 ] - [ -0.0001662400000000, 0.0008007700000000, -0.0015398500000000 ] - [ 0.0005673100000000, 0.0008126800000000, -0.0017246600000000 ] - [ 0.0031547000000000, 0.0003920700000000, 0.0014747300000000 ] - [ 0.0033411300000000, 0.0003267100000000, 0.0015472700000000 ] - [ -0.0041168100000000, -0.0017932500000000, -0.0006245100000000 ] - [ -0.0039304500000000, -0.0016374500000000, -0.0006154300000000 ] - [ 0.0010508800000000, 0.0020829100000000, 0.0002890000000000 ] - [ 0.0012209500000000, 0.0018774000000000, 0.0004722600000000 ] - [ -0.0015917800000000, 0.0018600100000000, -0.0006268400000000 ] - [ -0.0013681700000000, 0.0018814800000000, -0.0005133600000000 ] - [ -0.0039654500000000, 0.0016966800000000, -0.0006134500000000 ] - [ -0.0040946800000000, 0.0017433700000000, -0.0006143800000000 ] - [ -0.0044150500000000, -0.0030437500000000, -0.0018011600000000 ] - [ -0.0000631500000000, -0.0025851700000000, 0.0000177500000000 ] - [ -0.0004426300000000, 0.0025378500000000, 0.0001168500000000 ] - [ -0.0000499400000000, 0.0028422300000000, 0.0000010600000000 ] - [ -0.0000358900000000, -0.0029891400000000, 0.0000906600000000 ] - [ -0.0011303200000000, -0.0019195500000000, 0.0004756900000000 ] - [ -0.0000030700000000, 0.0029397000000000, -0.0000399400000000 ] - [ 0.0001548300000000, 0.0024171600000000, -0.0001136200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0080847000000000, 0.0102407700000000, 0.0026554500000000 ] - [ 0.0020918000000000, -0.0010561300000000, 0.0041312600000000 ] - [ 0.0006899500000000, 0.0007889400000000, 0.0000704500000000 ] - [ -0.0008964800000000, 0.0001063500000000, -0.0001280400000000 ] - [ -0.0007080200000000, -0.0004917600000000, -0.0001787000000000 ] - [ 0.0006623200000000, -0.0010431100000000, -0.0002000000000000 ] - [ -0.0024394000000000, 0.0023241500000000, -0.0039419400000000 ] - [ -0.0022173800000000, -0.0028625500000000, -0.0042231600000000 ] - [ 0.0024704100000000, -0.0024773400000000, 0.0046452700000000 ] - [ 0.0019175900000000, -0.0022458700000000, 0.0030410600000000 ] - [ -0.0050891700000000, 0.0118158100000000, 0.0037676600000000 ] - [ -0.0022149600000000, 0.0004481500000000, -0.0041028700000000 ] - [ 0.0026612200000000, 0.0021805900000000, 0.0042370400000000 ] - [ 0.0023928200000000, 0.0014082300000000, 0.0043312000000000 ] - [ 0.0017271300000000, 0.0030001400000000, -0.0002718500000000 ] - [ -0.0003766300000000, 0.0000156700000000, 0.0000569300000000 ] - [ 0.0006935700000000, 0.0007186200000000, -0.0005559300000000 ] - [ -0.0001820300000000, -0.0010229200000000, -0.0000521200000000 ] - [ -0.0022976800000000, -0.0018151500000000, -0.0042902300000000 ] - [ -0.0023290200000000, -0.0018540900000000, -0.0042922700000000 ] - [ 0.0024456600000000, -0.0013489100000000, 0.0043523500000000 ] - [ 0.0023426900000000, -0.0021170400000000, 0.0042495800000000 ] - [ -0.0024881800000000, 0.0020680800000000, -0.0041584400000000 ] - [ -0.0017173100000000, 0.0014165400000000, -0.0044009500000000 ] - [ -0.0014461900000000, -0.0020435100000000, 0.0008383100000000 ] - [ 0.0004466900000000, -0.0016896900000000, -0.0001236400000000 ] - [ 0.0013923300000000, -0.0003504700000000, 0.0005668800000000 ] - [ 0.0010817200000000, -0.0017044600000000, 0.0002568600000000 ] - [ -0.0009799500000000, 0.0005730900000000, -0.0005183300000000 ] - [ -0.0015668900000000, 0.0006495600000000, -0.0004647100000000 ] - [ -0.0296608500000000, 0.0280054200000000, -0.0091171600000000 ] - [ 0.0016692900000000, 0.0001304700000000, -0.0000655800000000 ] - [ -0.0014323300000000, -0.0007875700000000, -0.0004307800000000 ] - [ -0.0013162300000000, -0.0013887700000000, -0.0002653700000000 ] - [ 0.0011417400000000, -0.0011283100000000, 0.0003021900000000 ] - [ 0.0014559100000000, -0.0012749500000000, 0.0003571100000000 ] - [ -0.0010786600000000, 0.0015162900000000, -0.0004090000000000 ] - [ -0.0012430000000000, 0.0008827100000000, -0.0002552600000000 ] - [ 0.0014535200000000, 0.0013058800000000, 0.0003934500000000 ] - [ 0.0012892200000000, 0.0010399500000000, 0.0003424900000000 ] - [ 0.0031400600000000, -0.0040315800000000, -0.0002274400000000 ] - [ -0.0012432600000000, -0.0012094500000000, -0.0005033500000000 ] - [ -0.0045206400000000, -0.0025771300000000, -0.0018906900000000 ] - [ -0.0005844200000000, -0.0001509000000000, 0.0016047900000000 ] - [ 0.0324017200000000, -0.0631564800000000, -0.0014163700000000 ] - [ -0.0035786600000000, 0.0003113900000000, -0.0016101900000000 ] - [ -0.0038184000000000, -0.0008917400000000, 0.0002933200000000 ] - [ -0.0034301700000000, 0.0008390900000000, -0.0016046200000000 ] - [ 0.0030549800000000, -0.0007316200000000, -0.0030783900000000 ] - [ 0.0037876400000000, -0.0010054300000000, 0.0006940000000000 ] - [ 0.0034552800000000, 0.0000514500000000, 0.0019164600000000 ] - [ 0.0028245000000000, 0.0000507800000000, 0.0003270400000000 ] - [ -0.0006361200000000, -0.0008381500000000, 0.0012145100000000 ] - [ -0.0007026600000000, 0.0011825300000000, 0.0018132700000000 ] - [ 0.0049608000000000, 0.0025355400000000, -0.0013084000000000 ] - [ 0.0034282500000000, 0.0021773000000000, 0.0008452900000000 ] - [ 0.0006517900000000, -0.0006608000000000, -0.0022185900000000 ] - [ 0.0007444500000000, -0.0003441600000000, -0.0015469900000000 ] - [ 0.0019451300000000, -0.0012720000000000, 0.0010538000000000 ] - [ 0.0010537500000000, -0.0016931400000000, 0.0004885700000000 ] - [ 0.0016292400000000, 0.0035339600000000, -0.0014863700000000 ] - [ -0.0001322700000000, 0.0015075800000000, -0.0019783800000000 ] - [ 0.0045533600000000, 0.0069659900000000, 0.0085954500000000 ] - [ 0.0035425000000000, 0.0007733200000000, 0.0012529700000000 ] - [ -0.0132022300000000, 0.0040696700000000, 0.0031170100000000 ] - [ -0.0038276300000000, 0.0000486500000000, 0.0001696500000000 ] - [ -0.0010134000000000, 0.0031863300000000, 0.0016235700000000 ] - [ 0.0013685500000000, 0.0020962500000000, 0.0003232000000000 ] - [ -0.0013227200000000, 0.0014643400000000, -0.0015678100000000 ] - [ -0.0010931400000000, 0.0022551000000000, -0.0003798700000000 ] - [ -0.0036076900000000, 0.0008466400000000, -0.0003604900000000 ] - [ -0.0037970500000000, 0.0021629800000000, -0.0006708000000000 ] - [ -0.0011778600000000, -0.0018718600000000, -0.0004984400000000 ] - [ -0.0014906400000000, -0.0018498800000000, -0.0005759600000000 ] - [ -0.0008788900000000, -0.0007470100000000, 0.0017319600000000 ] - [ -0.0006019300000000, -0.0006312000000000, 0.0016614000000000 ] - [ -0.0034828500000000, -0.0003093600000000, -0.0015920200000000 ] - [ -0.0035071700000000, -0.0003089900000000, -0.0015763800000000 ] - [ -0.0035530500000000, 0.0002629500000000, -0.0015855700000000 ] - [ -0.0034498800000000, 0.0003408900000000, -0.0015066700000000 ] - [ 0.0036032000000000, -0.0017972200000000, 0.0006673500000000 ] - [ 0.0038351800000000, -0.0014334100000000, 0.0005079800000000 ] - [ 0.0032931300000000, -0.0005149700000000, 0.0015076100000000 ] - [ 0.0035132800000000, -0.0001075800000000, 0.0015639000000000 ] - [ -0.0006423900000000, 0.0006180400000000, 0.0016519300000000 ] - [ -0.0007914500000000, 0.0007889300000000, 0.0016847000000000 ] - [ 0.0037358500000000, 0.0014294200000000, 0.0007484500000000 ] - [ 0.0038146400000000, 0.0018349900000000, 0.0006270700000000 ] - [ 0.0005962800000000, -0.0008299900000000, -0.0016960500000000 ] - [ 0.0006575500000000, -0.0005959700000000, -0.0016281500000000 ] - [ 0.0011290800000000, -0.0021324500000000, 0.0005791100000000 ] - [ 0.0012718600000000, -0.0015720300000000, 0.0005427700000000 ] - [ 0.0006402000000000, 0.0004461000000000, -0.0018317400000000 ] - [ 0.0007311300000000, 0.0009500200000000, -0.0017450900000000 ] - [ 0.0033755900000000, 0.0001909300000000, 0.0015294100000000 ] - [ 0.0034394200000000, 0.0004117200000000, 0.0015632000000000 ] - [ -0.0039508100000000, -0.0018483000000000, -0.0006716400000000 ] - [ -0.0036681900000000, -0.0015173000000000, -0.0006371900000000 ] - [ 0.0012934900000000, 0.0013765700000000, 0.0005783200000000 ] - [ 0.0013204500000000, 0.0020153100000000, 0.0005106900000000 ] - [ -0.0015092200000000, 0.0018495800000000, -0.0005866800000000 ] - [ -0.0010732700000000, 0.0020258000000000, -0.0004103900000000 ] - [ -0.0036427000000000, 0.0015293200000000, -0.0005715500000000 ] - [ -0.0039340100000000, 0.0017953500000000, -0.0006330500000000 ] - [ -0.0005527500000000, -0.0033525800000000, -0.0001577000000000 ] - [ -0.0000404600000000, -0.0023295700000000, -0.0000119100000000 ] - [ -0.0000329300000000, 0.0023941700000000, 0.0000284900000000 ] - [ -0.0001004700000000, 0.0030007900000000, 0.0000213900000000 ] - [ 0.0011098900000000, -0.0025472300000000, -0.0001502600000000 ] - [ -0.0019071200000000, -0.0016722100000000, 0.0007071200000000 ] - [ -0.0001000500000000, 0.0028589600000000, -0.0000057200000000 ] - [ 0.0002663900000000, 0.0024201300000000, 0.0000259400000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037414200000000, -0.0071363000000000, 0.0061625100000000 ] - [ 0.0026037800000000, 0.0045865700000000, 0.0044745400000000 ] - [ -0.0006986400000000, 0.0005054700000000, -0.0000708900000000 ] - [ 0.0008924700000000, 0.0011855300000000, 0.0001291100000000 ] - [ 0.0007120800000000, -0.0007968800000000, 0.0001750800000000 ] - [ -0.0006650500000000, -0.0002471000000000, 0.0002014900000000 ] - [ -0.0022421000000000, -0.0058772300000000, -0.0046267300000000 ] - [ -0.0024734500000000, -0.0006631600000000, -0.0043808900000000 ] - [ 0.0022250900000000, -0.0010428400000000, 0.0039511800000000 ] - [ 0.0027738000000000, -0.0012880500000000, 0.0055627800000000 ] - [ 0.0003808300000000, -0.0082272000000000, -0.0121181900000000 ] - [ -0.0024749100000000, 0.0030871700000000, -0.0044998800000000 ] - [ 0.0020260100000000, 0.0013482000000000, 0.0043675000000000 ] - [ 0.0022962800000000, 0.0021217900000000, 0.0042724200000000 ] - [ -0.0017307300000000, -0.0017041900000000, 0.0002739000000000 ] - [ 0.0003782900000000, 0.0012790700000000, -0.0000567100000000 ] - [ -0.0007016500000000, -0.0020180700000000, 0.0005482600000000 ] - [ 0.0001838100000000, -0.0002648600000000, 0.0000525000000000 ] - [ -0.0023930900000000, -0.0017131500000000, -0.0043132400000000 ] - [ -0.0023609200000000, -0.0016770100000000, -0.0043106000000000 ] - [ 0.0022424200000000, -0.0021814600000000, 0.0042499000000000 ] - [ 0.0023460700000000, -0.0014116000000000, 0.0043528300000000 ] - [ -0.0021988000000000, 0.0014584100000000, -0.0044457500000000 ] - [ -0.0029735200000000, 0.0021147300000000, -0.0042018300000000 ] - [ -0.0011341400000000, -0.0003012000000000, -0.0015071900000000 ] - [ -0.0030189200000000, -0.0006924700000000, -0.0005585400000000 ] - [ 0.0011945000000000, -0.0020077900000000, 0.0001092400000000 ] - [ 0.0015001100000000, -0.0006498900000000, 0.0004223300000000 ] - [ -0.0016077300000000, 0.0017813400000000, -0.0001650100000000 ] - [ -0.0010087000000000, 0.0017065600000000, -0.0002175500000000 ] - [ 0.0316878900000000, -0.0257655200000000, 0.0096465500000000 ] - [ 0.0009109300000000, 0.0022310000000000, 0.0007461200000000 ] - [ -0.0011511200000000, -0.0015700000000000, -0.0002485700000000 ] - [ -0.0012638100000000, -0.0009679200000000, -0.0004134700000000 ] - [ 0.0014380500000000, -0.0012292700000000, 0.0003760700000000 ] - [ 0.0011231000000000, -0.0010833800000000, 0.0003224400000000 ] - [ -0.0015016300000000, 0.0008416100000000, -0.0002715100000000 ] - [ -0.0013369200000000, 0.0014760800000000, -0.0004250900000000 ] - [ 0.0011261100000000, 0.0010501900000000, 0.0002860800000000 ] - [ 0.0012910100000000, 0.0013193000000000, 0.0003370000000000 ] - [ -0.0057012400000000, 0.0003126200000000, -0.0007861700000000 ] - [ -0.0013428000000000, -0.0025230500000000, -0.0005140500000000 ] - [ 0.0031521800000000, 0.0010843800000000, 0.0052579000000000 ] - [ -0.0007925400000000, -0.0013070600000000, 0.0017510700000000 ] - [ -0.0383328700000000, 0.0630783400000000, -0.0020597800000000 ] - [ -0.0033375100000000, -0.0009185900000000, -0.0015156900000000 ] - [ -0.0031050400000000, 0.0014957500000000, -0.0034075600000000 ] - [ -0.0034860500000000, -0.0002376400000000, -0.0015192400000000 ] - [ 0.0044928300000000, -0.0026012700000000, 0.0043151100000000 ] - [ 0.0037569900000000, -0.0023305000000000, 0.0005385000000000 ] - [ 0.0034585200000000, -0.0006605800000000, 0.0012078000000000 ] - [ 0.0041008800000000, -0.0006608700000000, 0.0028106300000000 ] - [ -0.0007421700000000, 0.0022994100000000, 0.0021393000000000 ] - [ -0.0006739100000000, 0.0002722600000000, 0.0015412100000000 ] - [ 0.0025952700000000, 0.0008004900000000, 0.0025210500000000 ] - [ 0.0041179800000000, 0.0011632700000000, 0.0003844800000000 ] - [ 0.0007217200000000, -0.0007870700000000, -0.0011227900000000 ] - [ 0.0006306200000000, -0.0011134500000000, -0.0018056600000000 ] - [ 0.0006422200000000, -0.0024552600000000, -0.0000349200000000 ] - [ 0.0015341700000000, -0.0020383200000000, 0.0005292400000000 ] - [ -0.0002390100000000, -0.0020271500000000, -0.0018540200000000 ] - [ 0.0015151100000000, -0.0000621300000000, -0.0013744400000000 ] - [ 0.0023232100000000, -0.0064444700000000, -0.0055648000000000 ] - [ 0.0033746200000000, -0.0001705700000000, 0.0018708900000000 ] - [ 0.0055458400000000, -0.0073581500000000, -0.0042975400000000 ] - [ -0.0037156700000000, -0.0033853500000000, -0.0014030100000000 ] - [ 0.0036217100000000, 0.0005257900000000, -0.0006289400000000 ] - [ 0.0012154200000000, 0.0016299500000000, 0.0006923100000000 ] - [ -0.0012638600000000, 0.0022688400000000, 0.0005654700000000 ] - [ -0.0014935000000000, 0.0014723900000000, -0.0006369500000000 ] - [ -0.0039373800000000, 0.0024919300000000, -0.0008646100000000 ] - [ -0.0037487700000000, 0.0011703700000000, -0.0005582900000000 ] - [ -0.0014083000000000, -0.0018590200000000, -0.0005190500000000 ] - [ -0.0010947200000000, -0.0018793900000000, -0.0004402700000000 ] - [ -0.0004966900000000, -0.0007089300000000, 0.0016223300000000 ] - [ -0.0007748900000000, -0.0008252000000000, 0.0016930500000000 ] - [ -0.0034336900000000, -0.0002960800000000, -0.0015330800000000 ] - [ -0.0034096600000000, -0.0002954000000000, -0.0015488200000000 ] - [ -0.0033628600000000, 0.0003427300000000, -0.0015387400000000 ] - [ -0.0034665900000000, 0.0002638600000000, -0.0016172900000000 ] - [ 0.0039439800000000, -0.0015389100000000, 0.0005629800000000 ] - [ 0.0037106800000000, -0.0019029700000000, 0.0007226000000000 ] - [ 0.0036230800000000, -0.0000895700000000, 0.0016166500000000 ] - [ 0.0034036800000000, -0.0004975300000000, 0.0015613200000000 ] - [ -0.0007328500000000, 0.0008380100000000, 0.0017034200000000 ] - [ -0.0005849600000000, 0.0006675800000000, 0.0016705600000000 ] - [ 0.0038141500000000, 0.0019078300000000, 0.0004815800000000 ] - [ 0.0037314000000000, 0.0015001100000000, 0.0006016400000000 ] - [ 0.0007812100000000, -0.0006263800000000, -0.0016579500000000 ] - [ 0.0007192600000000, -0.0008598000000000, -0.0017261600000000 ] - [ 0.0014571900000000, -0.0015966700000000, 0.0004384000000000 ] - [ 0.0013141400000000, -0.0021590400000000, 0.0004735600000000 ] - [ 0.0007392900000000, 0.0010101300000000, -0.0015251200000000 ] - [ 0.0006455800000000, 0.0005055500000000, -0.0016092200000000 ] - [ 0.0035419200000000, 0.0004142900000000, 0.0015951700000000 ] - [ 0.0034767900000000, 0.0001933600000000, 0.0015614500000000 ] - [ -0.0035948900000000, -0.0014859800000000, -0.0005570000000000 ] - [ -0.0038780300000000, -0.0018193000000000, -0.0005926700000000 ] - [ 0.0012941700000000, 0.0023543400000000, 0.0004384000000000 ] - [ 0.0012650600000000, 0.0017143100000000, 0.0005058200000000 ] - [ -0.0010758900000000, 0.0018810400000000, -0.0004293400000000 ] - [ -0.0015122700000000, 0.0017042800000000, -0.0006050400000000 ] - [ -0.0039037000000000, 0.0018052600000000, -0.0006573900000000 ] - [ -0.0036112600000000, 0.0015400500000000, -0.0005965100000000 ] - [ 0.0005443500000000, -0.0020309500000000, 0.0001511400000000 ] - [ 0.0000411100000000, -0.0030659200000000, 0.0000111800000000 ] - [ 0.0000310400000000, 0.0030013700000000, -0.0000271200000000 ] - [ 0.0001004000000000, 0.0023933200000000, -0.0000205800000000 ] - [ -0.0011225300000000, -0.0028484200000000, 0.0001508000000000 ] - [ 0.0019079400000000, -0.0037235300000000, -0.0007088700000000 ] - [ 0.0001015200000000, 0.0025327900000000, 0.0000071200000000 ] - [ -0.0002665100000000, 0.0029780000000000, -0.0000236900000000 ]- atom: 45 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ -0.0002633900000000, 0.0007101400000000, 0.0100175900000000 ] - [ 0.0019918500000000, 0.0009327900000000, 0.0045875700000000 ] - [ -0.0004123200000000, 0.0009591500000000, 0.0005906200000000 ] - [ -0.0003310400000000, 0.0003645600000000, 0.0002327400000000 ] - [ 0.0007584900000000, -0.0002522700000000, -0.0007201000000000 ] - [ 0.0003612600000000, -0.0007570400000000, -0.0001737200000000 ] - [ -0.0018009600000000, -0.0016212800000000, 0.0058041300000000 ] - [ -0.0023279800000000, -0.0019525000000000, -0.0042932000000000 ] - [ 0.0032139700000000, 0.0000465600000000, 0.0025005200000000 ] - [ 0.0024000200000000, -0.0023699700000000, 0.0028077700000000 ] - [ -0.0074052300000000, 0.0111170900000000, 0.0129763900000000 ] - [ -0.0024138000000000, 0.0018202700000000, -0.0043725900000000 ] - [ 0.0020303100000000, 0.0017675800000000, 0.0044650800000000 ] - [ 0.0023747700000000, 0.0017079800000000, 0.0043630000000000 ] - [ 0.0013392500000000, 0.0006192500000000, -0.0001383400000000 ] - [ 0.0001659800000000, 0.0007749500000000, -0.0001099200000000 ] - [ -0.0017895200000000, -0.0020717300000000, 0.0000062800000000 ] - [ -0.0000702100000000, -0.0005064900000000, 0.0000330000000000 ] - [ -0.0024730900000000, -0.0017155600000000, -0.0042792400000000 ] - [ -0.0024589300000000, -0.0018859300000000, -0.0042773600000000 ] - [ 0.0025025500000000, -0.0018716100000000, 0.0041374200000000 ] - [ 0.0023007200000000, -0.0018415100000000, 0.0041684900000000 ] - [ -0.0022352800000000, 0.0016871500000000, -0.0042938800000000 ] - [ -0.0021988500000000, 0.0017043200000000, -0.0043247800000000 ] - [ -0.0016528700000000, 0.0001905500000000, 0.0017561300000000 ] - [ 0.0001213300000000, -0.0018697400000000, 0.0011538100000000 ] - [ 0.0009285000000000, -0.0021213800000000, -0.0035453200000000 ] - [ 0.0012996700000000, -0.0012589500000000, 0.0000628700000000 ] - [ -0.0001266900000000, 0.0027461900000000, -0.0020593400000000 ] - [ -0.0011221100000000, 0.0000796900000000, -0.0009786600000000 ] - [ 0.0106191000000000, -0.0037060500000000, 0.0172571600000000 ] - [ 0.0010094500000000, 0.0013420800000000, 0.0011898700000000 ] - [ -0.0013566000000000, -0.0012259300000000, -0.0003237600000000 ] - [ -0.0012708100000000, -0.0011606600000000, -0.0002637100000000 ] - [ 0.0010336600000000, -0.0010260500000000, 0.0001559900000000 ] - [ 0.0012312800000000, -0.0011443300000000, 0.0003295700000000 ] - [ -0.0013694300000000, 0.0010548900000000, -0.0005156300000000 ] - [ -0.0013097300000000, 0.0011918200000000, -0.0004286300000000 ] - [ 0.0014539200000000, 0.0012674400000000, 0.0004908100000000 ] - [ 0.0013104800000000, 0.0012082300000000, 0.0003754400000000 ] - [ -0.0007379600000000, -0.0020089300000000, -0.0041316300000000 ] - [ -0.0013113600000000, -0.0020191400000000, -0.0007475300000000 ] - [ 0.0063764400000000, -0.0049509200000000, 0.0086176200000000 ] - [ -0.0006016700000000, -0.0003845700000000, 0.0014495400000000 ] - [ -0.0112315700000000, -0.0051324600000000, -0.0738908600000000 ] - [ -0.0033530700000000, -0.0003341100000000, -0.0018112400000000 ] - [ -0.0038452600000000, -0.0015699300000000, 0.0025042800000000 ] - [ -0.0034858900000000, 0.0003512400000000, -0.0013674500000000 ] - [ 0.0045050100000000, -0.0072813000000000, 0.0071730500000000 ] - [ 0.0037691800000000, -0.0014692200000000, 0.0006658000000000 ] - [ 0.0026786800000000, 0.0008433900000000, 0.0023804400000000 ] - [ 0.0035637900000000, -0.0006526700000000, 0.0025001800000000 ] - [ -0.0030940800000000, 0.0016133200000000, 0.0068999900000000 ] - [ -0.0007317000000000, 0.0008710000000000, 0.0018666400000000 ] - [ 0.0024166300000000, -0.0013712600000000, 0.0018286500000000 ] - [ 0.0034428800000000, 0.0019888600000000, 0.0006201100000000 ] - [ -0.0002757200000000, 0.0008931400000000, 0.0004155600000000 ] - [ 0.0005570900000000, -0.0008065500000000, -0.0009988400000000 ] - [ 0.0027329700000000, -0.0004554700000000, 0.0015073000000000 ] - [ 0.0013106100000000, -0.0024146300000000, 0.0009420500000000 ] - [ 0.0011031800000000, 0.0015795400000000, -0.0030208200000000 ] - [ 0.0010643400000000, 0.0005053300000000, -0.0023360700000000 ] - [ 0.0045649500000000, 0.0071270400000000, 0.0043342200000000 ] - [ 0.0035681000000000, -0.0000129900000000, 0.0011564400000000 ] - [ -0.0059122800000000, 0.0024217700000000, -0.0023464000000000 ] - [ -0.0037289500000000, -0.0027624000000000, -0.0013646900000000 ] - [ -0.0002637400000000, 0.0032693700000000, -0.0003423700000000 ] - [ 0.0013243400000000, 0.0016887900000000, 0.0001058800000000 ] - [ -0.0014697200000000, 0.0024758800000000, 0.0017315200000000 ] - [ -0.0012568200000000, 0.0019488100000000, -0.0003304200000000 ] - [ -0.0032829600000000, 0.0017669200000000, 0.0010520100000000 ] - [ -0.0038003500000000, 0.0016276200000000, -0.0004470700000000 ] - [ -0.0013245600000000, -0.0019049200000000, -0.0005848700000000 ] - [ -0.0014684200000000, -0.0017719800000000, -0.0006646900000000 ] - [ -0.0007495400000000, -0.0006916800000000, 0.0016421800000000 ] - [ -0.0007393200000000, -0.0007597700000000, 0.0016082300000000 ] - [ -0.0034583800000000, -0.0003111500000000, -0.0016201000000000 ] - [ -0.0034624200000000, -0.0003299400000000, -0.0016208500000000 ] - [ -0.0034124900000000, 0.0003139000000000, -0.0015128700000000 ] - [ -0.0034243700000000, 0.0002509200000000, -0.0015063200000000 ] - [ 0.0037553500000000, -0.0017033300000000, 0.0007189900000000 ] - [ 0.0037520900000000, -0.0016916900000000, 0.0006687000000000 ] - [ 0.0035218800000000, -0.0002732300000000, 0.0016855300000000 ] - [ 0.0034687300000000, -0.0002974400000000, 0.0015775500000000 ] - [ -0.0005873900000000, 0.0007247500000000, 0.0017008700000000 ] - [ -0.0006375600000000, 0.0007168200000000, 0.0017397600000000 ] - [ 0.0038240800000000, 0.0016473700000000, 0.0003974400000000 ] - [ 0.0037842000000000, 0.0016135500000000, 0.0005653100000000 ] - [ 0.0008041500000000, -0.0007538600000000, -0.0015312300000000 ] - [ 0.0007241200000000, -0.0006889100000000, -0.0016103500000000 ] - [ 0.0011977800000000, -0.0018452400000000, 0.0007346500000000 ] - [ 0.0012902300000000, -0.0018263500000000, 0.0005844600000000 ] - [ 0.0008040900000000, 0.0006541000000000, -0.0017988400000000 ] - [ 0.0006637000000000, 0.0007466100000000, -0.0017223800000000 ] - [ 0.0034982700000000, 0.0002830200000000, 0.0015446400000000 ] - [ 0.0034518400000000, 0.0003081900000000, 0.0015736400000000 ] - [ -0.0038048900000000, -0.0017698400000000, -0.0007634400000000 ] - [ -0.0037297800000000, -0.0016811400000000, -0.0006728200000000 ] - [ 0.0013398600000000, 0.0019536600000000, 0.0003375400000000 ] - [ 0.0012954900000000, 0.0018791600000000, 0.0004530700000000 ] - [ -0.0012536600000000, 0.0018236400000000, -0.0004285100000000 ] - [ -0.0009600400000000, 0.0021146800000000, -0.0002140200000000 ] - [ -0.0037728700000000, 0.0015448900000000, -0.0004529200000000 ] - [ -0.0038024700000000, 0.0016670500000000, -0.0005580400000000 ] - [ 0.0020476800000000, -0.0028122100000000, 0.0001663900000000 ] - [ 0.0000615600000000, -0.0026641100000000, -0.0000278400000000 ] - [ -0.0006402500000000, 0.0025177300000000, 0.0002144600000000 ] - [ -0.0001181400000000, 0.0027913200000000, 0.0000579500000000 ] - [ -0.0004820800000000, -0.0027785200000000, 0.0000267300000000 ] - [ -0.0005031000000000, -0.0025030900000000, 0.0002940900000000 ] - [ 0.0002134600000000, 0.0023498100000000, 0.0000569500000000 ] - [ 0.0001803600000000, 0.0028780500000000, -0.0000390200000000 ]- atom: 45 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ 0.0049171400000000, 0.0026854400000000, -0.0013448900000000 ] - [ 0.0027065300000000, 0.0026117500000000, 0.0040245000000000 ] - [ 0.0004088400000000, 0.0003408800000000, -0.0006001500000000 ] - [ 0.0003303500000000, 0.0009236500000000, -0.0002294400000000 ] - [ -0.0007658100000000, -0.0010389900000000, 0.0007151800000000 ] - [ -0.0003659800000000, -0.0005338700000000, 0.0001663200000000 ] - [ -0.0027303600000000, -0.0020199800000000, -0.0153019100000000 ] - [ -0.0023613600000000, -0.0015812500000000, -0.0043117700000000 ] - [ 0.0014801300000000, -0.0035879000000000, 0.0061024000000000 ] - [ 0.0022915800000000, -0.0011560600000000, 0.0058000200000000 ] - [ 0.0026407800000000, -0.0070540300000000, -0.0207410000000000 ] - [ -0.0022746100000000, 0.0017063900000000, -0.0042307600000000 ] - [ 0.0026520000000000, 0.0017633200000000, 0.0041410300000000 ] - [ 0.0023149800000000, 0.0018208900000000, 0.0042419000000000 ] - [ -0.0013497900000000, 0.0006647900000000, 0.0001599600000000 ] - [ -0.0001645300000000, 0.0005127300000000, 0.0001097900000000 ] - [ 0.0017983400000000, 0.0007884300000000, -0.0000279200000000 ] - [ 0.0000719300000000, -0.0007846500000000, -0.0000324700000000 ] - [ -0.0022195300000000, -0.0018120400000000, -0.0043282200000000 ] - [ -0.0022317700000000, -0.0016473200000000, -0.0043273800000000 ] - [ 0.0021818900000000, -0.0016541300000000, 0.0044642200000000 ] - [ 0.0023877400000000, -0.0016905900000000, 0.0044343700000000 ] - [ -0.0024572300000000, 0.0018427400000000, -0.0043082000000000 ] - [ -0.0024978900000000, 0.0018270000000000, -0.0042785100000000 ] - [ -0.0009219200000000, -0.0025535800000000, -0.0024479500000000 ] - [ -0.0027119600000000, -0.0004969900000000, -0.0018355900000000 ] - [ 0.0016547800000000, -0.0002420900000000, 0.0042216600000000 ] - [ 0.0012810700000000, -0.0011021000000000, 0.0006177300000000 ] - [ -0.0024502300000000, -0.0004114100000000, 0.0014151300000000 ] - [ -0.0014562000000000, 0.0022680200000000, 0.0003005300000000 ] - [ -0.0078229100000000, 0.0060476300000000, -0.0164765400000000 ] - [ 0.0015714300000000, 0.0010166500000000, -0.0005122900000000 ] - [ -0.0012344500000000, -0.0011287200000000, -0.0003575100000000 ] - [ -0.0013096600000000, -0.0011988900000000, -0.0004162300000000 ] - [ 0.0015431500000000, -0.0013332400000000, 0.0005232000000000 ] - [ 0.0013476700000000, -0.0012148800000000, 0.0003493400000000 ] - [ -0.0012110000000000, 0.0013011300000000, -0.0001625800000000 ] - [ -0.0012712800000000, 0.0011663000000000, -0.0002500100000000 ] - [ 0.0011265300000000, 0.0010925900000000, 0.0001885200000000 ] - [ 0.0012672900000000, 0.0011506900000000, 0.0003018400000000 ] - [ -0.0017553800000000, -0.0017154500000000, 0.0031446300000000 ] - [ -0.0012743300000000, -0.0017108800000000, -0.0002690200000000 ] - [ -0.0078243400000000, 0.0035465200000000, -0.0053431300000000 ] - [ -0.0007756900000000, -0.0010726800000000, 0.0019063200000000 ] - [ 0.0039783100000000, 0.0042847000000000, 0.0706156100000000 ] - [ -0.0035643400000000, -0.0002711800000000, -0.0013128400000000 ] - [ -0.0030809200000000, 0.0021920800000000, -0.0056522000000000 ] - [ -0.0034308600000000, 0.0002561200000000, -0.0017590500000000 ] - [ 0.0030621100000000, 0.0039115800000000, -0.0058679600000000 ] - [ 0.0037763100000000, -0.0018646000000000, 0.0005588900000000 ] - [ 0.0042280900000000, -0.0014307500000000, 0.0007409400000000 ] - [ 0.0033523500000000, 0.0000519500000000, 0.0006082100000000 ] - [ 0.0016843900000000, -0.0001537400000000, -0.0034918900000000 ] - [ -0.0006456800000000, 0.0005864600000000, 0.0014868400000000 ] - [ 0.0051455600000000, 0.0047419600000000, -0.0006179300000000 ] - [ 0.0041060600000000, 0.0013525000000000, 0.0006098500000000 ] - [ 0.0016596000000000, -0.0023774000000000, -0.0037848600000000 ] - [ 0.0008189100000000, -0.0006472300000000, -0.0023564600000000 ] - [ -0.0001266100000000, -0.0032585100000000, -0.0004824700000000 ] - [ 0.0012766000000000, -0.0013191300000000, 0.0000681800000000 ] - [ 0.0002666800000000, -0.0001328100000000, -0.0003410900000000 ] - [ 0.0003076600000000, 0.0009511300000000, -0.0010119300000000 ] - [ 0.0023403800000000, -0.0065762500000000, -0.0012022500000000 ] - [ 0.0033463600000000, 0.0006197700000000, 0.0019715200000000 ] - [ -0.0015918100000000, -0.0057975100000000, 0.0011031400000000 ] - [ -0.0038179200000000, -0.0005752100000000, 0.0001345500000000 ] - [ 0.0028417900000000, 0.0004778200000000, 0.0013779500000000 ] - [ 0.0012610800000000, 0.0020435900000000, 0.0009132900000000 ] - [ -0.0011205800000000, 0.0012592600000000, -0.0027435500000000 ] - [ -0.0013280200000000, 0.0017816100000000, -0.0006873600000000 ] - [ -0.0042737400000000, 0.0015624500000000, -0.0022821400000000 ] - [ -0.0037467900000000, 0.0017104100000000, -0.0007827300000000 ] - [ -0.0012595800000000, -0.0018252200000000, -0.0004306400000000 ] - [ -0.0011191600000000, -0.0019564000000000, -0.0003534100000000 ] - [ -0.0006267100000000, -0.0007642100000000, 0.0017126700000000 ] - [ -0.0006356000000000, -0.0006959500000000, 0.0017464500000000 ] - [ -0.0034572700000000, -0.0002945400000000, -0.0015044800000000 ] - [ -0.0034545600000000, -0.0002755800000000, -0.0015042300000000 ] - [ -0.0035036800000000, 0.0002918200000000, -0.0016112400000000 ] - [ -0.0034910500000000, 0.0003550200000000, -0.0016177200000000 ] - [ 0.0037928400000000, -0.0016326900000000, 0.0005093100000000 ] - [ 0.0037949600000000, -0.0016433500000000, 0.0005599100000000 ] - [ 0.0033968200000000, -0.0003316000000000, 0.0014392500000000 ] - [ 0.0034496800000000, -0.0003075000000000, 0.0015465300000000 ] - [ -0.0007871300000000, 0.0007316200000000, 0.0016527100000000 ] - [ -0.0007383900000000, 0.0007396100000000, 0.0016143800000000 ] - [ 0.0037299000000000, 0.0016882500000000, 0.0008376300000000 ] - [ 0.0037625900000000, 0.0017225000000000, 0.0006641500000000 ] - [ 0.0005723600000000, -0.0007030300000000, -0.0018221500000000 ] - [ 0.0006531800000000, -0.0007670100000000, -0.0017440500000000 ] - [ 0.0013854900000000, -0.0018840800000000, 0.0002811700000000 ] - [ 0.0012956200000000, -0.0019042000000000, 0.0004313600000000 ] - [ 0.0005807100000000, 0.0008014100000000, -0.0015567500000000 ] - [ 0.0007136000000000, 0.0007092100000000, -0.0016308800000000 ] - [ 0.0034211300000000, 0.0003212200000000, 0.0015807700000000 ] - [ 0.0034649700000000, 0.0002979500000000, 0.0015515300000000 ] - [ -0.0037415200000000, -0.0015666000000000, -0.0004655500000000 ] - [ -0.0038156600000000, -0.0016539700000000, -0.0005553100000000 ] - [ 0.0012492900000000, 0.0017728000000000, 0.0006816800000000 ] - [ 0.0012896700000000, 0.0018510400000000, 0.0005641100000000 ] - [ -0.0013319900000000, 0.0019066400000000, -0.0005881000000000 ] - [ -0.0016211400000000, 0.0016186800000000, -0.0008004300000000 ] - [ -0.0037716400000000, 0.0017900000000000, -0.0007761200000000 ] - [ -0.0037442900000000, 0.0016688100000000, -0.0006711700000000 ] - [ -0.0020235300000000, -0.0025773200000000, -0.0001603400000000 ] - [ -0.0000606500000000, -0.0027304100000000, 0.0000270400000000 ] - [ 0.0006478100000000, 0.0028782300000000, -0.0002148300000000 ] - [ 0.0001182200000000, 0.0026045400000000, -0.0000572100000000 ] - [ 0.0004850000000000, -0.0026142000000000, -0.0000286500000000 ] - [ 0.0005172900000000, -0.0029001500000000, -0.0003008400000000 ] - [ -0.0002159900000000, 0.0030469600000000, -0.0000555600000000 ] - [ -0.0001825100000000, 0.0025167800000000, 0.0000415700000000 ]- atom: 49 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0099494200000000, 0.0039542200000000, 0.0053418400000000 ] - [ 0.0024858400000000, 0.0018510900000000, 0.0042832500000000 ] - [ 0.0189213400000000, -0.0090696200000000, -0.0081575100000000 ] - [ 0.0003627900000000, 0.0008376800000000, 0.0000274900000000 ] - [ 0.0003488700000000, -0.0007745000000000, 0.0000670200000000 ] - [ 0.0013022500000000, -0.0008362600000000, -0.0006387500000000 ] - [ -0.0018933200000000, -0.0018411500000000, -0.0035879200000000 ] - [ -0.0020362800000000, -0.0017112800000000, -0.0041931200000000 ] - [ 0.0023366600000000, -0.0013587900000000, 0.0044178200000000 ] - [ 0.0021194300000000, -0.0020039700000000, 0.0059191900000000 ] - [ 0.0005579800000000, -0.0034660800000000, -0.0047836300000000 ] - [ 0.0000982100000000, 0.0016485900000000, -0.0042811100000000 ] - [ 0.0017032900000000, 0.0011694400000000, 0.0040917700000000 ] - [ 0.0018311100000000, 0.0026032100000000, 0.0042841900000000 ] - [ -0.0013037000000000, 0.0015074900000000, -0.0005054500000000 ] - [ -0.0008726800000000, 0.0002034400000000, -0.0001656100000000 ] - [ -0.0006630100000000, -0.0006494000000000, -0.0002498100000000 ] - [ -0.0005190400000000, -0.0007720400000000, 0.0001099900000000 ] - [ -0.0026067600000000, -0.0017382000000000, -0.0043481900000000 ] - [ -0.0029755900000000, -0.0016045500000000, -0.0045337800000000 ] - [ 0.0017575200000000, -0.0028715400000000, 0.0038041800000000 ] - [ 0.0021836400000000, -0.0013811500000000, 0.0042893600000000 ] - [ -0.0036934500000000, 0.0014365600000000, -0.0043703600000000 ] - [ -0.0026134600000000, 0.0018695000000000, -0.0043569000000000 ] - [ -0.0012002900000000, -0.0010939800000000, -0.0004445600000000 ] - [ -0.0006054800000000, -0.0013996000000000, 0.0004907800000000 ] - [ 0.0009386700000000, -0.0006318500000000, 0.0025492300000000 ] - [ 0.0015322700000000, -0.0015903400000000, 0.0005589900000000 ] - [ 0.0132415600000000, 0.0152372300000000, -0.0149566500000000 ] - [ -0.0010324200000000, 0.0011875700000000, -0.0003105700000000 ] - [ 0.0024244800000000, 0.0016005000000000, -0.0000931100000000 ] - [ 0.0015713400000000, 0.0005985600000000, -0.0000486800000000 ] - [ -0.0017083400000000, -0.0013879200000000, -0.0004190700000000 ] - [ -0.0016770000000000, -0.0011048200000000, -0.0004085700000000 ] - [ 0.0012458300000000, -0.0012422500000000, 0.0003097100000000 ] - [ 0.0005692200000000, -0.0001946300000000, 0.0000827400000000 ] - [ -0.0018829800000000, 0.0011334300000000, -0.0003707300000000 ] - [ -0.0015538300000000, 0.0013521500000000, -0.0004087200000000 ] - [ 0.0005657100000000, 0.0013848000000000, 0.0007215200000000 ] - [ 0.0011434000000000, 0.0011996300000000, 0.0003294500000000 ] - [ -0.0010810700000000, -0.0029200200000000, 0.0001888000000000 ] - [ -0.0011972000000000, -0.0016979100000000, -0.0004329900000000 ] - [ -0.0009446400000000, -0.0007145400000000, 0.0015286500000000 ] - [ -0.0007117100000000, -0.0005691400000000, 0.0017668500000000 ] - [ -0.0050378800000000, -0.0010393300000000, -0.0010159600000000 ] - [ -0.0036100900000000, -0.0002841100000000, -0.0015924400000000 ] - [ -0.0032966900000000, -0.0008743600000000, -0.0029191400000000 ] - [ -0.0038777200000000, 0.0006441800000000, -0.0019609400000000 ] - [ -0.0555263900000000, -0.0047601500000000, 0.0251396400000000 ] - [ 0.0036293600000000, -0.0016404300000000, 0.0005652500000000 ] - [ 0.0032864200000000, -0.0002486200000000, 0.0015837100000000 ] - [ 0.0063592800000000, 0.0090166700000000, -0.0002136500000000 ] - [ 0.0083159100000000, -0.0037689800000000, 0.0029391600000000 ] - [ -0.0007528900000000, 0.0008927100000000, 0.0016983600000000 ] - [ 0.0036519800000000, 0.0015236000000000, 0.0005446500000000 ] - [ 0.0035527600000000, 0.0017741500000000, 0.0002489300000000 ] - [ -0.0021781600000000, 0.0006250400000000, -0.0034417600000000 ] - [ 0.0005279600000000, -0.0007191400000000, -0.0016718800000000 ] - [ 0.0010488200000000, -0.0019234100000000, 0.0004477500000000 ] - [ 0.0000581300000000, -0.0069918800000000, 0.0023140300000000 ] - [ 0.0004108300000000, 0.0004801500000000, -0.0013975600000000 ] - [ -0.0017451000000000, -0.0004843400000000, -0.0026636100000000 ] - [ 0.0026262000000000, 0.0004660600000000, 0.0019501600000000 ] - [ 0.0033564700000000, 0.0002751300000000, 0.0015257800000000 ] - [ -0.0040257100000000, -0.0019348000000000, -0.0006481100000000 ] - [ -0.0040278000000000, -0.0004559500000000, -0.0003959500000000 ] - [ 0.0006004900000000, 0.0018344100000000, -0.0008021500000000 ] - [ 0.0011098500000000, 0.0017975600000000, 0.0005137800000000 ] - [ -0.0011724500000000, 0.0016104800000000, -0.0009904800000000 ] - [ -0.0007517300000000, 0.0024938000000000, -0.0009852800000000 ] - [ -0.0036246800000000, 0.0016297900000000, -0.0009902100000000 ] - [ -0.0038465200000000, 0.0016714000000000, -0.0006651500000000 ] - [ -0.0012656100000000, -0.0017287800000000, -0.0005404800000000 ] - [ -0.0005997600000000, -0.0027799600000000, -0.0016172800000000 ] - [ -0.0005828400000000, -0.0007299900000000, 0.0016272400000000 ] - [ -0.0006320800000000, -0.0007303200000000, 0.0016418700000000 ] - [ -0.0033538900000000, -0.0002381400000000, -0.0015729200000000 ] - [ -0.0030933800000000, -0.0004696000000000, -0.0015329700000000 ] - [ -0.0025166600000000, 0.0003393400000000, -0.0013849900000000 ] - [ -0.0033847400000000, 0.0002581000000000, -0.0015453600000000 ] - [ 0.0042232600000000, -0.0016037300000000, 0.0005164900000000 ] - [ 0.0042247800000000, -0.0018291800000000, 0.0005987000000000 ] - [ 0.0037976700000000, -0.0001216100000000, 0.0015820600000000 ] - [ 0.0036118300000000, -0.0004055400000000, 0.0016316900000000 ] - [ -0.0006762700000000, 0.0007974000000000, 0.0017661200000000 ] - [ 0.0009397400000000, -0.0002446400000000, 0.0027674400000000 ] - [ 0.0040858100000000, 0.0018638500000000, 0.0007552500000000 ] - [ 0.0039733900000000, 0.0015841600000000, 0.0006063600000000 ] - [ 0.0010302300000000, -0.0006914800000000, -0.0016855700000000 ] - [ 0.0009326900000000, -0.0008321200000000, -0.0016859700000000 ] - [ 0.0018584500000000, -0.0017750300000000, 0.0005270400000000 ] - [ 0.0015484900000000, -0.0018777500000000, 0.0006030400000000 ] - [ 0.0012500000000000, 0.0009686300000000, -0.0015942100000000 ] - [ 0.0009285100000000, 0.0006779500000000, -0.0016151700000000 ] - [ 0.0036464200000000, 0.0004314100000000, 0.0015931700000000 ] - [ 0.0037779600000000, 0.0001377400000000, 0.0015826400000000 ] - [ -0.0023400700000000, -0.0004878000000000, -0.0008398000000000 ] - [ -0.0037460600000000, -0.0017514900000000, -0.0006248600000000 ] - [ 0.0016680200000000, 0.0018090400000000, 0.0007538100000000 ] - [ 0.0015697200000000, 0.0018150600000000, 0.0006083100000000 ] - [ 0.0016050400000000, 0.0004944100000000, 0.0012920100000000 ] - [ -0.0013541300000000, 0.0018439500000000, -0.0005234900000000 ] - [ -0.0037708200000000, 0.0017847700000000, -0.0006146300000000 ] - [ -0.0036507700000000, 0.0010535700000000, -0.0001500900000000 ] - [ 0.0040644700000000, 0.0022681000000000, -0.0030249300000000 ] - [ -0.0001410900000000, -0.0029692500000000, -0.0000527200000000 ] - [ -0.0002862000000000, 0.0028597200000000, 0.0000626200000000 ] - [ -0.0002101600000000, 0.0024898200000000, 0.0001285000000000 ] - [ 0.0008173700000000, -0.0024526300000000, -0.0001529700000000 ] - [ 0.0000867100000000, -0.0029185700000000, -0.0000412400000000 ] - [ 0.0001515500000000, 0.0026510300000000, -0.0000404900000000 ] - [ 0.0003331600000000, 0.0027503800000000, -0.0000181900000000 ]- atom: 49 displacement: [ -0.0099998936598637, 0.0000000000000000, -0.0000461171488539 ] forces: - [ -0.0056039200000000, -0.0005948100000000, 0.0029691700000000 ] - [ 0.0022008600000000, 0.0016799600000000, 0.0043201300000000 ] - [ -0.0181613200000000, 0.0099419900000000, 0.0077364100000000 ] - [ -0.0003593700000000, 0.0004576100000000, -0.0000269400000000 ] - [ -0.0003452700000000, -0.0005160500000000, -0.0000663600000000 ] - [ -0.0012802300000000, -0.0004598500000000, 0.0006408700000000 ] - [ -0.0027979600000000, -0.0016827800000000, -0.0050044700000000 ] - [ -0.0026531900000000, -0.0018200800000000, -0.0044108300000000 ] - [ 0.0023501100000000, -0.0021664500000000, 0.0041863100000000 ] - [ 0.0025609300000000, -0.0015321000000000, 0.0026855400000000 ] - [ -0.0051512500000000, 0.0069989600000000, -0.0038393300000000 ] - [ -0.0047869100000000, 0.0018777000000000, -0.0043177100000000 ] - [ 0.0029971900000000, 0.0023529600000000, 0.0045075800000000 ] - [ 0.0028550300000000, 0.0009356100000000, 0.0043183200000000 ] - [ 0.0012952000000000, -0.0002160700000000, 0.0005052100000000 ] - [ 0.0008702600000000, 0.0010889600000000, 0.0001643500000000 ] - [ 0.0006567200000000, -0.0006416400000000, 0.0002507100000000 ] - [ 0.0005153200000000, -0.0005194400000000, -0.0001089000000000 ] - [ -0.0020821300000000, -0.0017930300000000, -0.0042543500000000 ] - [ -0.0017174000000000, -0.0019230100000000, -0.0040703200000000 ] - [ 0.0029320800000000, -0.0006689200000000, 0.0047968600000000 ] - [ 0.0025062600000000, -0.0021446100000000, 0.0043133800000000 ] - [ -0.0010021500000000, 0.0020901300000000, -0.0042325900000000 ] - [ -0.0020754600000000, 0.0016608400000000, -0.0042466800000000 ] - [ -0.0013805200000000, -0.0012625800000000, -0.0002366800000000 ] - [ -0.0019741100000000, -0.0009480100000000, -0.0011687000000000 ] - [ 0.0016320000000000, -0.0017247200000000, -0.0018634100000000 ] - [ 0.0010500000000000, -0.0007685100000000, 0.0001182600000000 ] - [ -0.0155244900000000, -0.0127435600000000, 0.0141132800000000 ] - [ -0.0015484400000000, 0.0011727500000000, -0.0003693000000000 ] - [ 0.0001521300000000, 0.0007543500000000, 0.0007682200000000 ] - [ 0.0010075300000000, 0.0017609100000000, 0.0007312600000000 ] - [ -0.0008721100000000, -0.0009712300000000, -0.0002589000000000 ] - [ -0.0009059500000000, -0.0012520500000000, -0.0002709500000000 ] - [ 0.0013353800000000, -0.0011160000000000, 0.0003710700000000 ] - [ 0.0020140800000000, -0.0021596100000000, 0.0005950300000000 ] - [ -0.0006983900000000, 0.0012254200000000, -0.0003089700000000 ] - [ -0.0010276800000000, 0.0010083700000000, -0.0002716900000000 ] - [ 0.0020054600000000, 0.0009682200000000, -0.0000390900000000 ] - [ 0.0014395100000000, 0.0011601600000000, 0.0003505200000000 ] - [ -0.0015050400000000, -0.0008077000000000, -0.0012065300000000 ] - [ -0.0013877300000000, -0.0020326400000000, -0.0005847600000000 ] - [ -0.0004314000000000, -0.0007409600000000, 0.0018227600000000 ] - [ -0.0006639200000000, -0.0008856900000000, 0.0015865200000000 ] - [ -0.0018830600000000, 0.0004267600000000, -0.0020744100000000 ] - [ -0.0033027000000000, -0.0003213600000000, -0.0015338000000000 ] - [ -0.0036036700000000, 0.0014796000000000, -0.0002098600000000 ] - [ -0.0030355100000000, -0.0000372600000000, -0.0011625600000000 ] - [ 0.0622816800000000, 0.0018707900000000, -0.0229622000000000 ] - [ 0.0039169500000000, -0.0016966200000000, 0.0006652800000000 ] - [ 0.0036286100000000, -0.0003595600000000, 0.0015418100000000 ] - [ 0.0005316500000000, -0.0097025100000000, 0.0033235700000000 ] - [ -0.0098418500000000, 0.0052913500000000, 0.0003710800000000 ] - [ -0.0006231900000000, 0.0005623900000000, 0.0016570600000000 ] - [ 0.0038936900000000, 0.0018092200000000, 0.0006852200000000 ] - [ 0.0039920100000000, 0.0015691300000000, 0.0009791200000000 ] - [ 0.0035833700000000, -0.0020504200000000, 0.0000375200000000 ] - [ 0.0008489000000000, -0.0007374000000000, -0.0016829900000000 ] - [ 0.0015365900000000, -0.0018094700000000, 0.0005681500000000 ] - [ 0.0025336400000000, 0.0032217900000000, -0.0012831200000000 ] - [ 0.0009644500000000, 0.0009724200000000, -0.0019527700000000 ] - [ 0.0031111500000000, 0.0019621900000000, -0.0006607200000000 ] - [ 0.0042940700000000, 0.0001401100000000, 0.0011649300000000 ] - [ 0.0035581500000000, 0.0003304600000000, 0.0015993200000000 ] - [ -0.0035187900000000, -0.0014017300000000, -0.0005757300000000 ] - [ -0.0035174900000000, -0.0028831400000000, -0.0008338200000000 ] - [ 0.0019804400000000, 0.0018957500000000, 0.0018054800000000 ] - [ 0.0014756400000000, 0.0019312600000000, 0.0005039300000000 ] - [ -0.0014075200000000, 0.0021173800000000, -0.0000269700000000 ] - [ -0.0018320500000000, 0.0012411400000000, -0.0000327100000000 ] - [ -0.0039179700000000, 0.0017044300000000, -0.0002431100000000 ] - [ -0.0036991500000000, 0.0016641000000000, -0.0005647900000000 ] - [ -0.0013244100000000, -0.0020038400000000, -0.0004767800000000 ] - [ -0.0019766800000000, -0.0009627900000000, 0.0005827400000000 ] - [ -0.0007944000000000, -0.0007253800000000, 0.0017245800000000 ] - [ -0.0007462300000000, -0.0007261400000000, 0.0017122800000000 ] - [ -0.0035611400000000, -0.0003676000000000, -0.0015521000000000 ] - [ -0.0038188900000000, -0.0001357000000000, -0.0015918800000000 ] - [ -0.0043882300000000, 0.0002678200000000, -0.0017389400000000 ] - [ -0.0035299400000000, 0.0003473200000000, -0.0015795100000000 ] - [ 0.0033219100000000, -0.0017311300000000, 0.0007141900000000 ] - [ 0.0033245700000000, -0.0015085600000000, 0.0006315400000000 ] - [ 0.0031168900000000, -0.0004837600000000, 0.0015426400000000 ] - [ 0.0033033600000000, -0.0002015900000000, 0.0014939700000000 ] - [ -0.0007029900000000, 0.0006567100000000, 0.0015873300000000 ] - [ -0.0023024400000000, 0.0016919800000000, 0.0005972300000000 ] - [ 0.0034623400000000, 0.0014725900000000, 0.0004740500000000 ] - [ 0.0035742100000000, 0.0017499500000000, 0.0006225700000000 ] - [ 0.0003482300000000, -0.0007636300000000, -0.0016680900000000 ] - [ 0.0004453100000000, -0.0006244600000000, -0.0016679100000000 ] - [ 0.0007297000000000, -0.0019547100000000, 0.0004912100000000 ] - [ 0.0010401800000000, -0.0018531900000000, 0.0004149600000000 ] - [ 0.0001276200000000, 0.0004884800000000, -0.0017602600000000 ] - [ 0.0004497300000000, 0.0007770400000000, -0.0017387200000000 ] - [ 0.0032676500000000, 0.0001760300000000, 0.0015309200000000 ] - [ 0.0031386900000000, 0.0004665100000000, 0.0015417300000000 ] - [ -0.0051977600000000, -0.0028329100000000, -0.0003879800000000 ] - [ -0.0038011600000000, -0.0015853800000000, -0.0006048000000000 ] - [ 0.0009194900000000, 0.0019221000000000, 0.0002617400000000 ] - [ 0.0010186700000000, 0.0019145800000000, 0.0004094800000000 ] - [ -0.0041461900000000, 0.0032171300000000, -0.0022756700000000 ] - [ -0.0012339700000000, 0.0018859700000000, -0.0004942000000000 ] - [ -0.0037766600000000, 0.0015510700000000, -0.0006158000000000 ] - [ -0.0038974700000000, 0.0022761800000000, -0.0010763200000000 ] - [ -0.0040273700000000, -0.0076183500000000, 0.0029825600000000 ] - [ 0.0001391600000000, -0.0024263200000000, 0.0000524700000000 ] - [ 0.0002823800000000, 0.0025351900000000, -0.0000614700000000 ] - [ 0.0002075300000000, 0.0029037300000000, -0.0001274500000000 ] - [ -0.0008147600000000, -0.0029424400000000, 0.0001531700000000 ] - [ -0.0000845300000000, -0.0024740400000000, 0.0000405900000000 ] - [ -0.0001501900000000, 0.0027434700000000, 0.0000405800000000 ] - [ -0.0003299700000000, 0.0026444800000000, 0.0000180700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054749600000000, 0.0116315200000000, 0.0058650100000000 ] - [ 0.0025844000000000, 0.0001285700000000, 0.0046002100000000 ] - [ -0.0105718800000000, 0.0127169700000000, 0.0038737300000000 ] - [ -0.0004608600000000, -0.0005797400000000, -0.0000363300000000 ] - [ -0.0004369100000000, -0.0008313900000000, -0.0002197500000000 ] - [ 0.0011590600000000, 0.0000359700000000, 0.0018995900000000 ] - [ -0.0036305900000000, 0.0010164800000000, -0.0038308700000000 ] - [ -0.0022779000000000, -0.0032572500000000, -0.0040907300000000 ] - [ 0.0026182900000000, -0.0031813300000000, 0.0039327000000000 ] - [ 0.0014635200000000, -0.0011565500000000, 0.0059995900000000 ] - [ -0.0065200500000000, 0.0137401800000000, -0.0055891900000000 ] - [ -0.0036411900000000, -0.0016569800000000, -0.0059637100000000 ] - [ 0.0008919700000000, 0.0019513900000000, 0.0045587300000000 ] - [ 0.0026772300000000, 0.0013955500000000, 0.0042771200000000 ] - [ 0.0011279600000000, 0.0002811700000000, 0.0003814800000000 ] - [ -0.0006768600000000, 0.0003304500000000, -0.0002887700000000 ] - [ 0.0005478000000000, 0.0000432800000000, 0.0000895900000000 ] - [ -0.0003324200000000, -0.0012806500000000, 0.0002296400000000 ] - [ -0.0023364900000000, -0.0020069900000000, -0.0042815700000000 ] - [ -0.0020712000000000, -0.0014993200000000, -0.0041519100000000 ] - [ 0.0024938300000000, -0.0011258100000000, 0.0043320400000000 ] - [ 0.0024957500000000, -0.0024999600000000, 0.0042750400000000 ] - [ -0.0021193000000000, 0.0023993700000000, -0.0041116000000000 ] - [ -0.0023770600000000, 0.0011524900000000, -0.0043895700000000 ] - [ -0.0010572400000000, -0.0018020700000000, 0.0006324300000000 ] - [ -0.0014202900000000, 0.0013771800000000, -0.0028942200000000 ] - [ 0.0027178800000000, -0.0002521000000000, -0.0009930400000000 ] - [ 0.0008975600000000, -0.0024333800000000, 0.0002815100000000 ] - [ 0.0114685800000000, 0.0799279500000000, -0.0459340500000000 ] - [ -0.0017573200000000, -0.0002575400000000, -0.0004811200000000 ] - [ 0.0039936500000000, 0.0015065900000000, 0.0001788900000000 ] - [ 0.0012072700000000, 0.0004432800000000, 0.0001301500000000 ] - [ -0.0011544200000000, -0.0008783300000000, -0.0002276200000000 ] - [ -0.0012366200000000, -0.0014510300000000, -0.0003349400000000 ] - [ 0.0011606100000000, -0.0013554300000000, 0.0000719100000000 ] - [ 0.0020327300000000, -0.0007475400000000, 0.0005372800000000 ] - [ -0.0011039900000000, 0.0011700800000000, -0.0004021500000000 ] - [ -0.0014268000000000, 0.0010874100000000, -0.0004007100000000 ] - [ 0.0015670300000000, 0.0014679800000000, 0.0004565600000000 ] - [ 0.0010136900000000, 0.0006654200000000, 0.0002173600000000 ] - [ -0.0016151600000000, -0.0028003600000000, -0.0005873300000000 ] - [ -0.0012444500000000, -0.0014413200000000, -0.0005224700000000 ] - [ -0.0015214300000000, -0.0005615900000000, 0.0006155200000000 ] - [ -0.0005708600000000, -0.0003994100000000, 0.0016991500000000 ] - [ -0.0068648700000000, 0.0006286500000000, -0.0077407600000000 ] - [ -0.0034039600000000, 0.0003693600000000, -0.0013602300000000 ] - [ -0.0054616800000000, 0.0011666700000000, 0.0012467800000000 ] - [ -0.0030142300000000, 0.0008100500000000, -0.0018296000000000 ] - [ 0.0007126300000000, -0.1432926600000000, 0.0532634800000000 ] - [ 0.0038006800000000, -0.0005039300000000, 0.0003676700000000 ] - [ 0.0028675000000000, 0.0014308900000000, 0.0025977300000000 ] - [ 0.0102850300000000, 0.0054014900000000, -0.0015792100000000 ] - [ -0.0053345100000000, 0.0010975200000000, 0.0010787700000000 ] - [ -0.0004955700000000, 0.0013933600000000, 0.0019299000000000 ] - [ 0.0039151700000000, 0.0019980800000000, 0.0005220100000000 ] - [ 0.0036658300000000, 0.0019488600000000, 0.0016559600000000 ] - [ 0.0016731200000000, -0.0022082500000000, -0.0038032500000000 ] - [ 0.0007232900000000, -0.0001372500000000, -0.0013368500000000 ] - [ 0.0017819600000000, -0.0007156600000000, 0.0010944600000000 ] - [ -0.0012299000000000, 0.0087687900000000, -0.0042999200000000 ] - [ 0.0011841900000000, 0.0021280900000000, -0.0031041300000000 ] - [ 0.0003403300000000, 0.0050345100000000, 0.0063170200000000 ] - [ 0.0037672100000000, -0.0005271600000000, 0.0017209100000000 ] - [ 0.0033919300000000, 0.0007957200000000, 0.0015162300000000 ] - [ -0.0049903300000000, -0.0012767800000000, -0.0013886700000000 ] - [ -0.0035059500000000, -0.0012706000000000, -0.0003099600000000 ] - [ 0.0013631600000000, 0.0010016200000000, 0.0003638400000000 ] - [ 0.0014069200000000, 0.0024875400000000, 0.0002097100000000 ] - [ -0.0017008600000000, 0.0018244600000000, -0.0006144000000000 ] - [ -0.0004779700000000, 0.0029505900000000, -0.0010899700000000 ] - [ -0.0038109900000000, 0.0005691300000000, -0.0002163500000000 ] - [ -0.0037669800000000, 0.0026507700000000, -0.0007755200000000 ] - [ -0.0010079900000000, -0.0014584600000000, -0.0005506800000000 ] - [ -0.0015478200000000, -0.0019743400000000, -0.0005957600000000 ] - [ -0.0009657500000000, -0.0010334200000000, 0.0016630500000000 ] - [ -0.0005120800000000, -0.0004113000000000, 0.0014981000000000 ] - [ -0.0034364000000000, -0.0000616000000000, -0.0015897800000000 ] - [ -0.0035031500000000, -0.0004268400000000, -0.0016103000000000 ] - [ -0.0036214600000000, 0.0000575500000000, -0.0015713900000000 ] - [ -0.0033772800000000, 0.0004658000000000, -0.0015010100000000 ] - [ 0.0036101400000000, -0.0016528100000000, 0.0007049900000000 ] - [ 0.0038339200000000, -0.0016507500000000, 0.0006245600000000 ] - [ 0.0033302900000000, -0.0004800400000000, 0.0016533100000000 ] - [ 0.0034877600000000, -0.0001450700000000, 0.0015853600000000 ] - [ -0.0006075900000000, 0.0009855000000000, 0.0018258900000000 ] - [ -0.0010038200000000, 0.0005051400000000, 0.0018673600000000 ] - [ 0.0035754100000000, 0.0013457700000000, 0.0005064600000000 ] - [ 0.0038539900000000, 0.0019447200000000, 0.0006728000000000 ] - [ 0.0005474700000000, -0.0007417000000000, -0.0015990700000000 ] - [ 0.0007128500000000, -0.0006426300000000, -0.0016988600000000 ] - [ 0.0009788100000000, -0.0020236300000000, 0.0005436700000000 ] - [ 0.0014729300000000, -0.0015972000000000, 0.0006214700000000 ] - [ 0.0004451100000000, 0.0004146000000000, -0.0017257300000000 ] - [ 0.0007326600000000, 0.0009271600000000, -0.0017230100000000 ] - [ 0.0034290400000000, 0.0001586500000000, 0.0014389000000000 ] - [ 0.0033806100000000, 0.0004266300000000, 0.0015561200000000 ] - [ -0.0049473100000000, -0.0027736000000000, -0.0004578900000000 ] - [ -0.0036881100000000, -0.0012061300000000, -0.0005064200000000 ] - [ 0.0011505400000000, 0.0016938500000000, 0.0004096700000000 ] - [ 0.0013441400000000, 0.0019902500000000, 0.0005046400000000 ] - [ -0.0021017100000000, 0.0012585500000000, -0.0009752800000000 ] - [ -0.0010834700000000, 0.0022405600000000, -0.0003672000000000 ] - [ -0.0036540700000000, 0.0016907400000000, -0.0005392900000000 ] - [ -0.0043822400000000, 0.0015508900000000, -0.0008530800000000 ] - [ 0.0089693500000000, 0.0012974800000000, -0.0038199600000000 ] - [ -0.0003674600000000, -0.0019794100000000, 0.0002820200000000 ] - [ 0.0001845900000000, 0.0024212300000000, 0.0000450000000000 ] - [ -0.0001905100000000, 0.0032402300000000, -0.0002923700000000 ] - [ 0.0003117100000000, -0.0029837000000000, 0.0000597900000000 ] - [ -0.0001717600000000, -0.0023065000000000, 0.0000667300000000 ] - [ -0.0000988500000000, 0.0030377200000000, 0.0000136300000000 ] - [ 0.0000638600000000, 0.0023590400000000, -0.0000056600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009129400000000, -0.0080881200000000, 0.0026783200000000 ] - [ 0.0021056900000000, 0.0033839500000000, 0.0040074800000000 ] - [ 0.0107702800000000, -0.0114028300000000, -0.0039283700000000 ] - [ 0.0004525700000000, 0.0018645600000000, 0.0000355400000000 ] - [ 0.0004314600000000, -0.0004631600000000, 0.0002164800000000 ] - [ -0.0011544600000000, -0.0013419000000000, -0.0019040800000000 ] - [ -0.0010731000000000, -0.0045155300000000, -0.0047697100000000 ] - [ -0.0024056200000000, -0.0002840500000000, -0.0045121500000000 ] - [ 0.0020692600000000, -0.0003562000000000, 0.0046667900000000 ] - [ 0.0032128600000000, -0.0023739800000000, 0.0026005000000000 ] - [ 0.0015825100000000, -0.0094683600000000, -0.0031686400000000 ] - [ -0.0010424800000000, 0.0051565300000000, -0.0026317000000000 ] - [ 0.0037805000000000, 0.0015815800000000, 0.0040459500000000 ] - [ 0.0020128100000000, 0.0021225900000000, 0.0043251300000000 ] - [ -0.0011198800000000, 0.0010147400000000, -0.0003800700000000 ] - [ 0.0006753700000000, 0.0009612000000000, 0.0002889900000000 ] - [ -0.0005415300000000, -0.0013316700000000, -0.0000904600000000 ] - [ 0.0003325900000000, -0.0000200200000000, -0.0002289900000000 ] - [ -0.0023495400000000, -0.0015231000000000, -0.0043213300000000 ] - [ -0.0026110700000000, -0.0020300600000000, -0.0044504900000000 ] - [ 0.0021960100000000, -0.0023910800000000, 0.0042737700000000 ] - [ 0.0021879700000000, -0.0010356400000000, 0.0043268500000000 ] - [ -0.0025604800000000, 0.0011390000000000, -0.0044912700000000 ] - [ -0.0023094700000000, 0.0023705000000000, -0.0042147200000000 ] - [ -0.0015239400000000, -0.0005669700000000, -0.0012917000000000 ] - [ -0.0011620200000000, -0.0037510400000000, 0.0021959500000000 ] - [ -0.0001220600000000, -0.0021062700000000, 0.0016600000000000 ] - [ 0.0016837300000000, 0.0000608000000000, 0.0003913100000000 ] - [ -0.0149084800000000, -0.0802457300000000, 0.0478384100000000 ] - [ -0.0008327000000000, 0.0026090400000000, -0.0001960200000000 ] - [ -0.0013913100000000, 0.0008671800000000, 0.0004857900000000 ] - [ 0.0013779600000000, 0.0019133200000000, 0.0005368600000000 ] - [ -0.0014296600000000, -0.0014828800000000, -0.0004440700000000 ] - [ -0.0013461600000000, -0.0009173000000000, -0.0003378200000000 ] - [ 0.0014210100000000, -0.0010101200000000, 0.0005977800000000 ] - [ 0.0005565000000000, -0.0016238900000000, 0.0001449500000000 ] - [ -0.0014781600000000, 0.0011966700000000, -0.0002719800000000 ] - [ -0.0011581100000000, 0.0012742300000000, -0.0002706800000000 ] - [ 0.0010234000000000, 0.0009042100000000, 0.0002172900000000 ] - [ 0.0015683900000000, 0.0016952400000000, 0.0004542100000000 ] - [ -0.0009807800000000, -0.0009514800000000, -0.0004284300000000 ] - [ -0.0013511900000000, -0.0022905400000000, -0.0004974900000000 ] - [ 0.0001337900000000, -0.0008855900000000, 0.0027276600000000 ] - [ -0.0008071300000000, -0.0010470000000000, 0.0016572800000000 ] - [ -0.0000692800000000, -0.0012507000000000, 0.0045492600000000 ] - [ -0.0035040200000000, -0.0009665700000000, -0.0017648400000000 ] - [ -0.0014659100000000, -0.0005580400000000, -0.0043469100000000 ] - [ -0.0038900300000000, -0.0001940600000000, -0.0013037400000000 ] - [ 0.0078630400000000, 0.1419670100000000, -0.0541989600000000 ] - [ 0.0037514400000000, -0.0028136000000000, 0.0008682900000000 ] - [ 0.0040299800000000, -0.0020138300000000, 0.0005458200000000 ] - [ -0.0034646800000000, -0.0060363700000000, 0.0047449600000000 ] - [ 0.0039312900000000, 0.0003420300000000, 0.0022740200000000 ] - [ -0.0008820800000000, 0.0000618000000000, 0.0014260400000000 ] - [ 0.0036376500000000, 0.0013296200000000, 0.0007139900000000 ] - [ 0.0038891200000000, 0.0013847500000000, -0.0004258000000000 ] - [ -0.0002836900000000, 0.0007723400000000, 0.0004345900000000 ] - [ 0.0006554200000000, -0.0013074800000000, -0.0020153400000000 ] - [ 0.0008213900000000, -0.0030113500000000, -0.0000657700000000 ] - [ 0.0038866100000000, -0.0126434300000000, 0.0054005000000000 ] - [ 0.0002006000000000, -0.0006626800000000, -0.0002713300000000 ] - [ 0.0010497300000000, -0.0036033000000000, -0.0097621900000000 ] - [ 0.0031428000000000, 0.0011275800000000, 0.0014171000000000 ] - [ 0.0035156200000000, -0.0001863800000000, 0.0016089900000000 ] - [ -0.0025794500000000, -0.0020498900000000, 0.0001335900000000 ] - [ -0.0040444300000000, -0.0020437100000000, -0.0009251000000000 ] - [ 0.0012349900000000, 0.0027285900000000, 0.0006658300000000 ] - [ 0.0011904200000000, 0.0012560000000000, 0.0008057400000000 ] - [ -0.0008976300000000, 0.0019105300000000, -0.0004090400000000 ] - [ -0.0021157500000000, 0.0007906000000000, 0.0000688200000000 ] - [ -0.0037407800000000, 0.0027480700000000, -0.0010189100000000 ] - [ -0.0037850000000000, 0.0006833400000000, -0.0004629500000000 ] - [ -0.0015854000000000, -0.0022763700000000, -0.0004689600000000 ] - [ -0.0010590100000000, -0.0017581900000000, -0.0004139000000000 ] - [ -0.0004144500000000, -0.0004183400000000, 0.0016934800000000 ] - [ -0.0008639700000000, -0.0010359900000000, 0.0018562300000000 ] - [ -0.0034717500000000, -0.0005413500000000, -0.0015370200000000 ] - [ -0.0034074200000000, -0.0001786700000000, -0.0015163900000000 ] - [ -0.0032924400000000, 0.0005459500000000, -0.0015569600000000 ] - [ -0.0035298100000000, 0.0001410000000000, -0.0016244300000000 ] - [ 0.0039405700000000, -0.0016754700000000, 0.0005337700000000 ] - [ 0.0037153500000000, -0.0016734200000000, 0.0006126200000000 ] - [ 0.0035763200000000, -0.0001282500000000, 0.0014745600000000 ] - [ 0.0034208600000000, -0.0004573600000000, 0.0015399600000000 ] - [ -0.0007688000000000, 0.0004657000000000, 0.0015312800000000 ] - [ -0.0003946900000000, 0.0009569100000000, 0.0014735700000000 ] - [ 0.0039744700000000, 0.0019776300000000, 0.0007297500000000 ] - [ 0.0036976600000000, 0.0013853900000000, 0.0005656800000000 ] - [ 0.0008287800000000, -0.0007092400000000, -0.0017566400000000 ] - [ 0.0006652000000000, -0.0008054500000000, -0.0016574600000000 ] - [ 0.0016140500000000, -0.0017165200000000, 0.0004763800000000 ] - [ 0.0011237800000000, -0.0021366600000000, 0.0003984700000000 ] - [ 0.0009312700000000, 0.0010312700000000, -0.0016302200000000 ] - [ 0.0006454100000000, 0.0005247700000000, -0.0016331900000000 ] - [ 0.0034787600000000, 0.0004442000000000, 0.0016854800000000 ] - [ 0.0035254500000000, 0.0001807800000000, 0.0015706700000000 ] - [ -0.0026096400000000, -0.0005588500000000, -0.0007793000000000 ] - [ -0.0038619700000000, -0.0021160100000000, -0.0007296500000000 ] - [ 0.0014438200000000, 0.0020396200000000, 0.0006095300000000 ] - [ 0.0012509500000000, 0.0017481900000000, 0.0005152700000000 ] - [ -0.0005111300000000, 0.0024843400000000, -0.0000573700000000 ] - [ -0.0015088800000000, 0.0015000800000000, -0.0006505200000000 ] - [ -0.0038957000000000, 0.0016351600000000, -0.0006974600000000 ] - [ -0.0031703400000000, 0.0017806200000000, -0.0003878500000000 ] - [ -0.0088389900000000, -0.0066424400000000, 0.0037688600000000 ] - [ 0.0003655000000000, -0.0034061100000000, -0.0002824800000000 ] - [ -0.0001821400000000, 0.0029683800000000, -0.0000441900000000 ] - [ 0.0001908200000000, 0.0021571600000000, 0.0002939800000000 ] - [ -0.0003049600000000, -0.0024108400000000, -0.0000620700000000 ] - [ 0.0001701500000000, -0.0030855800000000, -0.0000668700000000 ] - [ 0.0000968700000000, 0.0023592500000000, -0.0000128100000000 ] - [ -0.0000643000000000, 0.0030330000000000, 0.0000064200000000 ]- atom: 49 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0029511200000000, 0.0024442800000000, 0.0099978500000000 ] - [ 0.0022803200000000, 0.0022125700000000, 0.0042562100000000 ] - [ -0.0117897400000000, 0.0052912700000000, 0.0084629800000000 ] - [ 0.0000154200000000, 0.0008982600000000, -0.0000025200000000 ] - [ -0.0000090100000000, -0.0008791600000000, 0.0000151600000000 ] - [ -0.0024410100000000, 0.0005283200000000, -0.0008770900000000 ] - [ -0.0011278400000000, -0.0040569700000000, -0.0067438700000000 ] - [ -0.0022516600000000, -0.0012422000000000, -0.0044370200000000 ] - [ 0.0025468000000000, -0.0019849400000000, 0.0042959500000000 ] - [ 0.0043721300000000, -0.0006850800000000, 0.0036945800000000 ] - [ -0.0030567900000000, 0.0009964500000000, -0.0029325000000000 ] - [ -0.0028945900000000, 0.0022255400000000, -0.0024631600000000 ] - [ 0.0031784100000000, 0.0020433800000000, 0.0042717900000000 ] - [ 0.0024228100000000, 0.0015578700000000, 0.0041854500000000 ] - [ -0.0001458800000000, 0.0005893200000000, 0.0001653800000000 ] - [ 0.0002227000000000, 0.0006008200000000, 0.0003176800000000 ] - [ 0.0000216000000000, -0.0009895500000000, -0.0003321700000000 ] - [ 0.0002504000000000, -0.0004173300000000, -0.0001710300000000 ] - [ -0.0023363300000000, -0.0017003900000000, -0.0043727200000000 ] - [ -0.0023805200000000, -0.0017792100000000, -0.0045221400000000 ] - [ 0.0020165300000000, -0.0021538900000000, 0.0040941500000000 ] - [ 0.0022284100000000, -0.0014928700000000, 0.0043046400000000 ] - [ -0.0021154200000000, 0.0017920900000000, -0.0040655300000000 ] - [ -0.0022842900000000, 0.0019052700000000, -0.0042372100000000 ] - [ -0.0012876100000000, -0.0011199300000000, -0.0007564200000000 ] - [ -0.0008013600000000, -0.0003779400000000, -0.0033947800000000 ] - [ 0.0020230500000000, -0.0014805800000000, 0.0012478100000000 ] - [ 0.0013588600000000, -0.0006266200000000, 0.0004939300000000 ] - [ -0.0158663700000000, -0.0464377200000000, 0.0427857800000000 ] - [ -0.0010498600000000, 0.0015347600000000, -0.0001668400000000 ] - [ -0.0002402700000000, 0.0013661600000000, 0.0005237700000000 ] - [ 0.0013126300000000, 0.0011556900000000, -0.0001857600000000 ] - [ -0.0013581500000000, -0.0012539900000000, -0.0004905400000000 ] - [ -0.0012848300000000, -0.0011365400000000, -0.0003478700000000 ] - [ 0.0013103000000000, -0.0011869800000000, 0.0005644700000000 ] - [ 0.0006261300000000, -0.0002909600000000, 0.0016292000000000 ] - [ -0.0012020600000000, 0.0011829400000000, -0.0002961700000000 ] - [ -0.0011763500000000, 0.0010939300000000, -0.0001632800000000 ] - [ 0.0014801100000000, 0.0009858400000000, -0.0002636500000000 ] - [ 0.0013930500000000, 0.0013482300000000, 0.0003350400000000 ] - [ -0.0011202700000000, -0.0025212700000000, -0.0001484000000000 ] - [ -0.0012997000000000, -0.0018773200000000, -0.0004089400000000 ] - [ -0.0002256900000000, -0.0009953200000000, 0.0027747000000000 ] - [ -0.0007605800000000, -0.0009092200000000, 0.0018615600000000 ] - [ -0.0001311600000000, -0.0038212900000000, 0.0052797500000000 ] - [ -0.0034720000000000, -0.0002244500000000, -0.0015157000000000 ] - [ -0.0049158700000000, 0.0023736800000000, -0.0003501000000000 ] - [ -0.0034833200000000, 0.0000215300000000, -0.0015186600000000 ] - [ 0.0363490200000000, 0.0531211100000000, -0.0786927800000000 ] - [ 0.0037425500000000, -0.0019165400000000, 0.0006378800000000 ] - [ 0.0038404300000000, -0.0010827900000000, 0.0008684400000000 ] - [ 0.0012884300000000, -0.0053023700000000, -0.0001681900000000 ] - [ -0.0017576700000000, 0.0012659700000000, -0.0000160300000000 ] - [ -0.0007116400000000, 0.0005326300000000, 0.0014533000000000 ] - [ 0.0037183000000000, 0.0017773500000000, 0.0008518900000000 ] - [ 0.0034330000000000, 0.0006143500000000, 0.0021572900000000 ] - [ -0.0014649500000000, -0.0064237800000000, 0.0085947200000000 ] - [ 0.0006992000000000, -0.0008709800000000, -0.0018485600000000 ] - [ 0.0011893300000000, -0.0021809700000000, 0.0002651300000000 ] - [ 0.0019603200000000, -0.0043653900000000, -0.0003917100000000 ] - [ 0.0006449900000000, 0.0004657300000000, -0.0012564300000000 ] - [ 0.0008450100000000, 0.0074361500000000, 0.0025067300000000 ] - [ 0.0028792000000000, 0.0005247200000000, 0.0030845900000000 ] - [ 0.0034606300000000, 0.0002453500000000, 0.0017399800000000 ] - [ -0.0035148100000000, -0.0019308400000000, -0.0006228000000000 ] - [ -0.0037697100000000, -0.0010806300000000, -0.0006633000000000 ] - [ 0.0016002100000000, 0.0021284400000000, 0.0024661100000000 ] - [ 0.0012944800000000, 0.0017578200000000, 0.0006439700000000 ] - [ -0.0013817600000000, 0.0018672900000000, -0.0005704600000000 ] - [ -0.0017496700000000, 0.0013600000000000, -0.0004439300000000 ] - [ -0.0041612600000000, 0.0020676000000000, -0.0006379500000000 ] - [ -0.0038113300000000, 0.0015072500000000, -0.0006914000000000 ] - [ -0.0013804300000000, -0.0020363000000000, -0.0004361900000000 ] - [ -0.0014772900000000, -0.0015924100000000, 0.0001129700000000 ] - [ -0.0005542000000000, -0.0006770600000000, 0.0019478200000000 ] - [ -0.0007235200000000, -0.0008318100000000, 0.0017974100000000 ] - [ -0.0034790200000000, -0.0004134500000000, -0.0015134100000000 ] - [ -0.0035394600000000, -0.0002219300000000, -0.0014720000000000 ] - [ -0.0029891800000000, 0.0001610500000000, -0.0017269100000000 ] - [ -0.0034615600000000, 0.0002910900000000, -0.0016189100000000 ] - [ 0.0036922700000000, -0.0016659300000000, 0.0005605000000000 ] - [ 0.0036108700000000, -0.0015559000000000, 0.0005486600000000 ] - [ 0.0034203400000000, -0.0002660800000000, 0.0014178100000000 ] - [ 0.0034369200000000, -0.0002617200000000, 0.0014995600000000 ] - [ -0.0006955600000000, 0.0005763800000000, 0.0015216900000000 ] - [ -0.0017381000000000, 0.0015396700000000, 0.0001280900000000 ] - [ 0.0038660900000000, 0.0017463600000000, 0.0007153400000000 ] - [ 0.0037349100000000, 0.0016211900000000, 0.0006473200000000 ] - [ 0.0007180700000000, -0.0006973800000000, -0.0017275300000000 ] - [ 0.0006664400000000, -0.0007618400000000, -0.0017033900000000 ] - [ 0.0012339500000000, -0.0018094700000000, 0.0004534400000000 ] - [ 0.0011748900000000, -0.0019376700000000, 0.0003988100000000 ] - [ 0.0006037100000000, 0.0007556900000000, -0.0016763200000000 ] - [ 0.0006683100000000, 0.0006910100000000, -0.0016447000000000 ] - [ 0.0034281700000000, 0.0003219200000000, 0.0017254800000000 ] - [ 0.0034111400000000, 0.0003030100000000, 0.0016218500000000 ] - [ -0.0042036500000000, -0.0019897100000000, -0.0001733000000000 ] - [ -0.0037855500000000, -0.0017624000000000, -0.0006260200000000 ] - [ 0.0014023300000000, 0.0018298200000000, 0.0005782800000000 ] - [ 0.0012699700000000, 0.0018538700000000, 0.0005488200000000 ] - [ 0.0005991500000000, 0.0011276800000000, -0.0005358000000000 ] - [ -0.0013160500000000, 0.0017807200000000, -0.0005865700000000 ] - [ -0.0037712200000000, 0.0017246500000000, -0.0006903400000000 ] - [ -0.0033284500000000, 0.0015191400000000, -0.0008257100000000 ] - [ -0.0051485900000000, -0.0062174200000000, 0.0013050600000000 ] - [ 0.0001086100000000, -0.0028019500000000, -0.0001580500000000 ] - [ 0.0001793900000000, 0.0030248500000000, 0.0000343200000000 ] - [ 0.0000552900000000, 0.0024490700000000, 0.0000473200000000 ] - [ 0.0002776800000000, -0.0024789800000000, -0.0002259100000000 ] - [ 0.0000816500000000, -0.0027609700000000, -0.0000232200000000 ] - [ -0.0000553900000000, 0.0026060300000000, 0.0000170600000000 ] - [ -0.0001174800000000, 0.0027932100000000, 0.0000764000000000 ]- atom: 49 displacement: [ 0.0014194739345051, 0.0000000000000000, -0.0098987420286247 ] forces: - [ 0.0015912500000000, 0.0010108100000000, -0.0015207900000000 ] - [ 0.0024039300000000, 0.0013213900000000, 0.0043476100000000 ] - [ 0.0120743600000000, -0.0041194300000000, -0.0085093800000000 ] - [ -0.0000131300000000, 0.0004020600000000, 0.0000027600000000 ] - [ 0.0000102300000000, -0.0004150100000000, -0.0000141100000000 ] - [ 0.0024274400000000, -0.0018175300000000, 0.0008664100000000 ] - [ -0.0035560100000000, 0.0005129200000000, -0.0018677000000000 ] - [ -0.0024336000000000, -0.0022830800000000, -0.0041664000000000 ] - [ 0.0021368300000000, -0.0015404700000000, 0.0043074600000000 ] - [ 0.0003271200000000, -0.0028373900000000, 0.0049087100000000 ] - [ -0.0015935200000000, 0.0024734300000000, -0.0057059700000000 ] - [ -0.0017796400000000, 0.0013075900000000, -0.0061356100000000 ] - [ 0.0015075200000000, 0.0014854100000000, 0.0043315800000000 ] - [ 0.0022619500000000, 0.0019730200000000, 0.0044230600000000 ] - [ 0.0001396300000000, 0.0007094800000000, -0.0001677400000000 ] - [ -0.0002223600000000, 0.0006955500000000, -0.0003170200000000 ] - [ -0.0000221300000000, -0.0003067200000000, 0.0003305200000000 ] - [ -0.0002501500000000, -0.0008774400000000, 0.0001712300000000 ] - [ -0.0023492200000000, -0.0018275000000000, -0.0042309500000000 ] - [ -0.0023060300000000, -0.0017501300000000, -0.0040834200000000 ] - [ 0.0026692200000000, -0.0013795600000000, 0.0045069000000000 ] - [ 0.0024559600000000, -0.0020325900000000, 0.0042973800000000 ] - [ -0.0025720400000000, 0.0017311400000000, -0.0045351700000000 ] - [ -0.0024016600000000, 0.0016255600000000, -0.0043660100000000 ] - [ -0.0012979100000000, -0.0012440600000000, 0.0000784100000000 ] - [ -0.0017822200000000, -0.0019812700000000, 0.0027056800000000 ] - [ 0.0005553400000000, -0.0008888000000000, -0.0005618300000000 ] - [ 0.0012281800000000, -0.0017384300000000, 0.0001786500000000 ] - [ 0.0130062400000000, 0.0469790300000000, -0.0427898800000000 ] - [ -0.0015396100000000, 0.0008348700000000, -0.0005066800000000 ] - [ 0.0028151000000000, 0.0010104700000000, 0.0001343100000000 ] - [ 0.0012728000000000, 0.0012104500000000, 0.0008582200000000 ] - [ -0.0012271800000000, -0.0011126500000000, -0.0001833500000000 ] - [ -0.0012997300000000, -0.0012283900000000, -0.0003245200000000 ] - [ 0.0012745500000000, -0.0011777600000000, 0.0001080500000000 ] - [ 0.0019599100000000, -0.0020776000000000, -0.0009613600000000 ] - [ -0.0013837000000000, 0.0011826200000000, -0.0003770900000000 ] - [ -0.0014088800000000, 0.0012730900000000, -0.0005106200000000 ] - [ 0.0011070300000000, 0.0013786600000000, 0.0009338500000000 ] - [ 0.0011923200000000, 0.0010187000000000, 0.0003377800000000 ] - [ -0.0014683300000000, -0.0012137500000000, -0.0008707400000000 ] - [ -0.0012964700000000, -0.0018607600000000, -0.0006108800000000 ] - [ -0.0011568900000000, -0.0004530200000000, 0.0005746600000000 ] - [ -0.0006179900000000, -0.0005411200000000, 0.0014944600000000 ] - [ -0.0068180700000000, 0.0032848100000000, -0.0085054800000000 ] - [ -0.0034369900000000, -0.0003824400000000, -0.0016112700000000 ] - [ -0.0020011400000000, -0.0017441600000000, -0.0027624000000000 ] - [ -0.0034270900000000, 0.0005844300000000, -0.0016083200000000 ] - [ -0.0287118800000000, -0.0542436600000000, 0.0793726500000000 ] - [ 0.0038091800000000, -0.0014135900000000, 0.0006004900000000 ] - [ 0.0030662300000000, 0.0004813300000000, 0.0022615500000000 ] - [ 0.0056114500000000, 0.0046886400000000, 0.0032735700000000 ] - [ 0.0004200900000000, 0.0001722800000000, 0.0033698800000000 ] - [ -0.0006675100000000, 0.0009161300000000, 0.0019021800000000 ] - [ 0.0038338300000000, 0.0015479400000000, 0.0003865000000000 ] - [ 0.0041164000000000, 0.0027068700000000, -0.0009163000000000 ] - [ 0.0028131900000000, 0.0048973300000000, -0.0117666200000000 ] - [ 0.0006796400000000, -0.0005803100000000, -0.0015083000000000 ] - [ 0.0014061900000000, -0.0015616200000000, 0.0007523300000000 ] - [ 0.0006479700000000, 0.0005656800000000, 0.0014168800000000 ] - [ 0.0007291700000000, 0.0009761000000000, -0.0020931100000000 ] - [ 0.0005346700000000, -0.0060609000000000, -0.0058524600000000 ] - [ 0.0040245300000000, 0.0000817400000000, 0.0000485600000000 ] - [ 0.0034484200000000, 0.0003584100000000, 0.0013871900000000 ] - [ -0.0040290400000000, -0.0013981200000000, -0.0006073700000000 ] - [ -0.0037793300000000, -0.0022448000000000, -0.0005755200000000 ] - [ 0.0009958600000000, 0.0016120100000000, -0.0014336600000000 ] - [ 0.0013004900000000, 0.0019774000000000, 0.0003775400000000 ] - [ -0.0012123900000000, 0.0018688500000000, -0.0004526600000000 ] - [ -0.0008465200000000, 0.0023786500000000, -0.0005782900000000 ] - [ -0.0033894300000000, 0.0012631100000000, -0.0006038700000000 ] - [ -0.0037416400000000, 0.0018191500000000, -0.0005470800000000 ] - [ -0.0012165000000000, -0.0017021800000000, -0.0005838800000000 ] - [ -0.0011251300000000, -0.0021396000000000, -0.0011268000000000 ] - [ -0.0008236600000000, -0.0007718600000000, 0.0014097400000000 ] - [ -0.0006551200000000, -0.0006186300000000, 0.0015588000000000 ] - [ -0.0034298800000000, -0.0001918200000000, -0.0016135800000000 ] - [ -0.0033700300000000, -0.0003821200000000, -0.0016551900000000 ] - [ -0.0039148600000000, 0.0004457800000000, -0.0013980200000000 ] - [ -0.0034473300000000, 0.0003134500000000, -0.0015074000000000 ] - [ 0.0038608000000000, -0.0016608000000000, 0.0006773000000000 ] - [ 0.0039426200000000, -0.0017722500000000, 0.0006888500000000 ] - [ 0.0034895400000000, -0.0003378500000000, 0.0017085800000000 ] - [ 0.0034717500000000, -0.0003444600000000, 0.0016262900000000 ] - [ -0.0006828800000000, 0.0008731700000000, 0.0018342300000000 ] - [ 0.0003783000000000, -0.0001024600000000, 0.0032396600000000 ] - [ 0.0036863500000000, 0.0015820700000000, 0.0005228900000000 ] - [ 0.0038166400000000, 0.0017051000000000, 0.0005898200000000 ] - [ 0.0006604600000000, -0.0007521300000000, -0.0016290400000000 ] - [ 0.0007119800000000, -0.0006879200000000, -0.0016528900000000 ] - [ 0.0013640500000000, -0.0019278500000000, 0.0005660500000000 ] - [ 0.0014214500000000, -0.0018002200000000, 0.0006211000000000 ] - [ 0.0007749400000000, 0.0006943200000000, -0.0016799400000000 ] - [ 0.0007098000000000, 0.0007579700000000, -0.0017115800000000 ] - [ 0.0034802400000000, 0.0002830500000000, 0.0014011300000000 ] - [ 0.0034972200000000, 0.0003020300000000, 0.0015043800000000 ] - [ -0.0033555500000000, -0.0013393300000000, -0.0010631900000000 ] - [ -0.0037667300000000, -0.0015657900000000, -0.0006121000000000 ] - [ 0.0011940900000000, 0.0019077900000000, 0.0004424200000000 ] - [ 0.0013259300000000, 0.0018831800000000, 0.0004712200000000 ] - [ -0.0031843500000000, 0.0026061200000000, -0.0004830800000000 ] - [ -0.0012809800000000, 0.0019556900000000, -0.0004338200000000 ] - [ -0.0037809500000000, 0.0016022500000000, -0.0005480500000000 ] - [ -0.0042208600000000, 0.0018074200000000, -0.0004112400000000 ] - [ 0.0051879100000000, 0.0008385700000000, -0.0012913000000000 ] - [ -0.0001072200000000, -0.0025952100000000, 0.0001563200000000 ] - [ -0.0001807800000000, 0.0023695200000000, -0.0000347800000000 ] - [ -0.0000559700000000, 0.0029427900000000, -0.0000456300000000 ] - [ -0.0002817900000000, -0.0029149500000000, 0.0002266300000000 ] - [ -0.0000811800000000, -0.0026352600000000, 0.0000215800000000 ] - [ 0.0000551500000000, 0.0027874000000000, -0.0000166500000000 ] - [ 0.0001177700000000, 0.0026019400000000, -0.0000759200000000 ]- atom: 105 displacement: [ 0.0099998936598637, 0.0000000000000000, 0.0000461171488539 ] forces: - [ 0.0013813700000000, 0.0008670200000000, 0.0035417800000000 ] - [ 0.0018027500000000, 0.0023585600000000, 0.0041387300000000 ] - [ 0.0076530500000000, 0.0006310800000000, -0.0009545600000000 ] - [ 0.0015740500000000, 0.0006474000000000, -0.0000124500000000 ] - [ 0.0011150100000000, -0.0006459400000000, 0.0007308400000000 ] - [ 0.0012386500000000, -0.0006494700000000, 0.0002209000000000 ] - [ -0.0018489600000000, -0.0019382600000000, -0.0049077300000000 ] - [ -0.0022262500000000, -0.0016172000000000, -0.0042107800000000 ] - [ 0.0020193000000000, -0.0015313700000000, 0.0044481500000000 ] - [ 0.0019238200000000, -0.0019816500000000, 0.0047338700000000 ] - [ -0.0063089900000000, 0.0046471600000000, -0.0032992100000000 ] - [ -0.0020304600000000, 0.0014527600000000, -0.0045785000000000 ] - [ -0.0014000700000000, -0.0010972600000000, 0.0052624400000000 ] - [ 0.0026604600000000, 0.0020726500000000, 0.0040232900000000 ] - [ -0.0018410000000000, 0.0006470700000000, 0.0001524700000000 ] - [ -0.0007808500000000, 0.0006483500000000, -0.0002022800000000 ] - [ -0.0011991800000000, -0.0006463600000000, -0.0004968600000000 ] - [ -0.0006659900000000, -0.0006480900000000, 0.0000484900000000 ] - [ -0.0026638600000000, -0.0020001300000000, -0.0041521300000000 ] - [ -0.0027592000000000, -0.0015465300000000, -0.0038655300000000 ] - [ 0.0028479800000000, -0.0015837500000000, 0.0036982800000000 ] - [ 0.0024608300000000, -0.0019146700000000, 0.0043925600000000 ] - [ -0.0032981700000000, 0.0026719600000000, -0.0050620600000000 ] - [ -0.0028803400000000, 0.0011660200000000, -0.0044669100000000 ] - [ -0.0009543100000000, -0.0008699800000000, -0.0013020800000000 ] - [ -0.0011098100000000, -0.0013118700000000, -0.0003613700000000 ] - [ 0.0006062500000000, -0.0011094000000000, 0.0007738600000000 ] - [ 0.0011680900000000, -0.0012300600000000, 0.0003683400000000 ] - [ 0.0003425200000000, -0.0012105700000000, 0.0021569200000000 ] - [ -0.0015569600000000, 0.0017715200000000, -0.0003281600000000 ] - [ -0.0003508000000000, 0.0026196700000000, -0.0001094200000000 ] - [ 0.0011366200000000, 0.0010367000000000, 0.0002565400000000 ] - [ -0.0019776600000000, -0.0012543400000000, 0.0001050300000000 ] - [ -0.0014142900000000, -0.0011361000000000, -0.0003036700000000 ] - [ 0.0016305100000000, -0.0014927100000000, -0.0006304400000000 ] - [ 0.0014848200000000, -0.0010582900000000, 0.0003160600000000 ] - [ -0.0029313100000000, -0.0002630100000000, -0.0007771100000000 ] - [ -0.0014466300000000, 0.0013282400000000, -0.0004158600000000 ] - [ 0.0029488600000000, 0.0035647000000000, 0.0028276100000000 ] - [ 0.0010393100000000, 0.0005933800000000, 0.0003495400000000 ] - [ 0.0000802200000000, -0.0017507500000000, -0.0003269700000000 ] - [ -0.0010508900000000, -0.0019024900000000, -0.0003889200000000 ] - [ -0.0003115600000000, -0.0009771300000000, 0.0022891700000000 ] - [ -0.0005462100000000, -0.0006441600000000, 0.0016841600000000 ] - [ 0.0009595600000000, -0.0008539400000000, 0.0011086300000000 ] - [ -0.0033909200000000, -0.0003426400000000, -0.0014926500000000 ] - [ -0.0030097300000000, 0.0003335900000000, -0.0021459100000000 ] - [ -0.0034025300000000, 0.0004034900000000, -0.0016746900000000 ] - [ 0.0078032100000000, 0.0071735100000000, -0.0039828400000000 ] - [ 0.0036360300000000, -0.0020284000000000, 0.0007069200000000 ] - [ 0.0034979000000000, -0.0014101100000000, 0.0010841300000000 ] - [ 0.0045816000000000, 0.0015959200000000, 0.0012121800000000 ] - [ 0.0001691200000000, 0.0010993800000000, 0.0014893300000000 ] - [ -0.0005429300000000, 0.0006479200000000, 0.0016696300000000 ] - [ 0.0034921500000000, 0.0014794200000000, 0.0007601600000000 ] - [ 0.0035694000000000, 0.0018576500000000, 0.0006468900000000 ] - [ 0.0004917200000000, -0.0004471400000000, -0.0023955100000000 ] - [ 0.0007392900000000, -0.0009746700000000, -0.0021069800000000 ] - [ 0.0017187400000000, -0.0039406300000000, -0.0005699700000000 ] - [ 0.0007324800000000, -0.0014728500000000, 0.0003420600000000 ] - [ 0.0009277900000000, -0.0011651100000000, -0.0006021400000000 ] - [ 0.0001086300000000, 0.0007591800000000, -0.0017369800000000 ] - [ 0.0033027900000000, 0.0005680200000000, 0.0017252100000000 ] - [ 0.0034575400000000, 0.0002017500000000, 0.0017806900000000 ] - [ -0.0029637500000000, -0.0019718900000000, -0.0002233300000000 ] - [ -0.0036895000000000, -0.0014920700000000, -0.0005243400000000 ] - [ 0.0008425500000000, 0.0023013300000000, 0.0006464900000000 ] - [ 0.0008247200000000, 0.0017987100000000, 0.0005038600000000 ] - [ -0.0008049300000000, 0.0018380100000000, -0.0003579600000000 ] - [ -0.0009407400000000, 0.0020783200000000, -0.0006051300000000 ] - [ -0.0034430400000000, 0.0017262300000000, -0.0006888200000000 ] - [ -0.0036245800000000, 0.0015662800000000, -0.0006529500000000 ] - [ -0.0008901100000000, 0.0002056800000000, -0.0015931700000000 ] - [ -0.0018722200000000, -0.0022614100000000, -0.0006720700000000 ] - [ -0.0008893900000000, -0.0010028300000000, 0.0009553900000000 ] - [ -0.0006425900000000, -0.0004763900000000, 0.0012489800000000 ] - [ -0.0034137200000000, 0.0008209500000000, -0.0020490300000000 ] - [ -0.0023197700000000, -0.0022126100000000, -0.0019156600000000 ] - [ -0.0036100900000000, 0.0000350600000000, -0.0014029400000000 ] - [ -0.0034519400000000, 0.0004037000000000, -0.0013454000000000 ] - [ 0.0045911500000000, -0.0013545700000000, 0.0010200300000000 ] - [ 0.0038602600000000, -0.0018333800000000, 0.0007136000000000 ] - [ 0.0079438700000000, 0.0002451200000000, 0.0042822000000000 ] - [ 0.0035165500000000, -0.0002611500000000, 0.0016337100000000 ] - [ -0.0004508200000000, 0.0026248800000000, 0.0027584400000000 ] - [ -0.0012842100000000, 0.0006954600000000, 0.0016137700000000 ] - [ 0.0041072500000000, 0.0015982600000000, 0.0005470900000000 ] - [ 0.0039267500000000, 0.0017618400000000, 0.0005845600000000 ] - [ 0.0010657500000000, -0.0004693600000000, -0.0010614700000000 ] - [ 0.0008309800000000, -0.0008047100000000, -0.0016719800000000 ] - [ 0.0026848900000000, -0.0019890100000000, 0.0006922600000000 ] - [ 0.0015448900000000, -0.0018342300000000, 0.0006310200000000 ] - [ 0.0015485100000000, 0.0003413700000000, -0.0018670000000000 ] - [ 0.0008342700000000, 0.0008023600000000, -0.0016868300000000 ] - [ 0.0038993000000000, 0.0002699600000000, 0.0009744300000000 ] - [ 0.0035042400000000, 0.0002026700000000, 0.0014512100000000 ] - [ 0.0003037900000000, -0.0105990800000000, -0.0052846700000000 ] - [ -0.0039172800000000, -0.0012978200000000, -0.0005304500000000 ] - [ 0.0017910200000000, 0.0018990500000000, 0.0006616500000000 ] - [ 0.0016557800000000, 0.0016589000000000, 0.0004135100000000 ] - [ -0.0017635300000000, 0.0014428000000000, -0.0003845200000000 ] - [ -0.0017717400000000, 0.0019397100000000, -0.0005155400000000 ] - [ -0.0040610100000000, 0.0018465800000000, -0.0004778000000000 ] - [ -0.0039852600000000, 0.0014735700000000, -0.0005937800000000 ] - [ -0.0225828200000000, -0.0026114100000000, 0.0037028700000000 ] - [ -0.0003797900000000, -0.0026961100000000, 0.0001191600000000 ] - [ -0.0003968000000000, 0.0026961300000000, -0.0000377600000000 ] - [ -0.0002701400000000, 0.0026981400000000, 0.0000222200000000 ] - [ 0.0005388000000000, -0.0026979500000000, -0.0000436200000000 ] - [ 0.0005391200000000, -0.0026965200000000, -0.0001122800000000 ] - [ 0.0003314900000000, 0.0026977500000000, -0.0000268100000000 ] - [ 0.0003312800000000, 0.0026966400000000, -0.0000352900000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015075500000000, 0.0024990700000000, 0.0036638900000000 ] - [ 0.0032013100000000, 0.0010468600000000, 0.0043202500000000 ] - [ 0.0000000000000000, 0.0192371000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010471300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003520000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012528700000000, 0.0000000000000000 ] - [ -0.0026447200000000, -0.0005258400000000, -0.0043255400000000 ] - [ -0.0022280900000000, -0.0028378600000000, -0.0042473500000000 ] - [ 0.0028006600000000, -0.0014965900000000, 0.0043356600000000 ] - [ 0.0018988000000000, -0.0020055600000000, 0.0044586700000000 ] - [ 0.0011459900000000, 0.0037662200000000, -0.0047461400000000 ] - [ -0.0025161700000000, 0.0003610300000000, -0.0043286300000000 ] - [ -0.0011459900000000, 0.0037662200000000, 0.0047461400000000 ] - [ 0.0025161700000000, 0.0003610300000000, 0.0043286300000000 ] - [ 0.0000000000000000, 0.0009241900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003062800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004152600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009355800000000, 0.0000000000000000 ] - [ -0.0028006600000000, -0.0014965900000000, -0.0043356600000000 ] - [ -0.0018988000000000, -0.0020055600000000, -0.0044586700000000 ] - [ 0.0026447200000000, -0.0005258400000000, 0.0043255400000000 ] - [ 0.0022280900000000, -0.0028378600000000, 0.0042473500000000 ] - [ -0.0015075500000000, 0.0024990700000000, -0.0036638900000000 ] - [ -0.0032013100000000, 0.0010468600000000, -0.0043202500000000 ] - [ -0.0012888600000000, -0.0013432300000000, 0.0012473100000000 ] - [ -0.0018481400000000, -0.0014363900000000, -0.0012339500000000 ] - [ 0.0014476500000000, -0.0008014200000000, 0.0003093700000000 ] - [ 0.0011424300000000, -0.0015933300000000, 0.0002855800000000 ] - [ -0.0008538300000000, 0.0002722800000000, 0.0005787300000000 ] - [ -0.0001202200000000, 0.0003695200000000, 0.0003978100000000 ] - [ 0.0012564900000000, 0.0015444800000000, 0.0005382100000000 ] - [ 0.0014474600000000, 0.0007194400000000, 0.0002330700000000 ] - [ -0.0014476500000000, -0.0008014200000000, -0.0003093700000000 ] - [ -0.0011424300000000, -0.0015933300000000, -0.0002855800000000 ] - [ 0.0012888600000000, -0.0013432300000000, -0.0012473100000000 ] - [ 0.0018481400000000, -0.0014363900000000, 0.0012339500000000 ] - [ -0.0012564900000000, 0.0015444800000000, -0.0005382100000000 ] - [ -0.0014474600000000, 0.0007194400000000, -0.0002330700000000 ] - [ 0.0008538300000000, 0.0002722800000000, -0.0005787300000000 ] - [ 0.0001202200000000, 0.0003695200000000, -0.0003978100000000 ] - [ -0.0012646800000000, -0.0021229300000000, -0.0004929400000000 ] - [ -0.0013717700000000, -0.0015780600000000, -0.0005936700000000 ] - [ -0.0006592400000000, -0.0009516700000000, 0.0017112300000000 ] - [ -0.0006955900000000, -0.0004995300000000, 0.0016535100000000 ] - [ -0.0030894400000000, -0.0009631200000000, -0.0016267100000000 ] - [ -0.0035660000000000, 0.0000657500000000, -0.0015465600000000 ] - [ -0.0036130500000000, -0.0000009500000000, -0.0014062600000000 ] - [ -0.0033082300000000, 0.0006061600000000, -0.0016370100000000 ] - [ 0.0086950200000000, 0.0022873800000000, -0.0022148000000000 ] - [ 0.0035053800000000, -0.0009516100000000, 0.0004764000000000 ] - [ 0.0031606600000000, -0.0001554400000000, 0.0016032600000000 ] - [ 0.0042300300000000, 0.0007203500000000, 0.0014741300000000 ] - [ -0.0008056000000000, 0.0001671600000000, 0.0016263800000000 ] - [ -0.0006986700000000, 0.0010559700000000, 0.0017922700000000 ] - [ 0.0036154100000000, 0.0013874900000000, 0.0002650300000000 ] - [ 0.0039815400000000, 0.0022049900000000, 0.0008979500000000 ] - [ 0.0008455200000000, -0.0007999800000000, -0.0020432600000000 ] - [ -0.0000286100000000, 0.0000341000000000, -0.0008587900000000 ] - [ -0.0007263000000000, 0.0009312800000000, 0.0016925900000000 ] - [ 0.0018806200000000, -0.0014516200000000, -0.0001419400000000 ] - [ -0.0010246500000000, 0.0032454300000000, -0.0028299800000000 ] - [ 0.0026104000000000, 0.0013185700000000, -0.0009305700000000 ] - [ 0.0037319800000000, 0.0000257300000000, 0.0017857800000000 ] - [ 0.0032122600000000, 0.0004643800000000, 0.0011755700000000 ] - [ -0.0040180000000000, -0.0019507000000000, -0.0008737200000000 ] - [ -0.0035553700000000, -0.0012730800000000, -0.0005242200000000 ] - [ 0.0018834100000000, 0.0023552800000000, 0.0018496300000000 ] - [ 0.0012497500000000, 0.0020913700000000, 0.0003573300000000 ] - [ -0.0013671100000000, 0.0016503100000000, -0.0005332600000000 ] - [ -0.0011727200000000, 0.0021704200000000, -0.0005436100000000 ] - [ -0.0037237300000000, 0.0013271300000000, -0.0005157700000000 ] - [ -0.0038215100000000, 0.0020012500000000, -0.0007174900000000 ] - [ 0.0007263000000000, 0.0009312800000000, -0.0016925900000000 ] - [ -0.0018806200000000, -0.0014516200000000, 0.0001419400000000 ] - [ -0.0008455200000000, -0.0007999800000000, 0.0020432600000000 ] - [ 0.0000286100000000, 0.0000341000000000, 0.0008587900000000 ] - [ -0.0031606600000000, -0.0001554400000000, -0.0016032600000000 ] - [ -0.0042300300000000, 0.0007203500000000, -0.0014741300000000 ] - [ -0.0037319800000000, 0.0000257300000000, -0.0017857800000000 ] - [ -0.0032122600000000, 0.0004643800000000, -0.0011755700000000 ] - [ 0.0040180000000000, -0.0019507000000000, 0.0008737200000000 ] - [ 0.0035553700000000, -0.0012730800000000, 0.0005242200000000 ] - [ 0.0030894400000000, -0.0009631200000000, 0.0016267100000000 ] - [ 0.0035660000000000, 0.0000657500000000, 0.0015465600000000 ] - [ 0.0010246500000000, 0.0032454300000000, 0.0028299800000000 ] - [ -0.0026104000000000, 0.0013185700000000, 0.0009305700000000 ] - [ 0.0037237300000000, 0.0013271300000000, 0.0005157700000000 ] - [ 0.0038215100000000, 0.0020012500000000, 0.0007174900000000 ] - [ 0.0006592400000000, -0.0009516700000000, -0.0017112300000000 ] - [ 0.0006955900000000, -0.0004995300000000, -0.0016535100000000 ] - [ 0.0012646800000000, -0.0021229300000000, 0.0004929400000000 ] - [ 0.0013717700000000, -0.0015780600000000, 0.0005936700000000 ] - [ 0.0008056000000000, 0.0001671600000000, -0.0016263800000000 ] - [ 0.0006986700000000, 0.0010559700000000, -0.0017922700000000 ] - [ 0.0036130500000000, -0.0000009500000000, 0.0014062600000000 ] - [ 0.0033082300000000, 0.0006061600000000, 0.0016370100000000 ] - [ -0.0086950200000000, 0.0022873800000000, 0.0022148000000000 ] - [ -0.0035053800000000, -0.0009516100000000, -0.0004764000000000 ] - [ 0.0013671100000000, 0.0016503100000000, 0.0005332600000000 ] - [ 0.0011727200000000, 0.0021704200000000, 0.0005436100000000 ] - [ -0.0018834100000000, 0.0023552800000000, -0.0018496300000000 ] - [ -0.0012497500000000, 0.0020913700000000, -0.0003573300000000 ] - [ -0.0036154100000000, 0.0013874900000000, -0.0002650300000000 ] - [ -0.0039815400000000, 0.0022049900000000, -0.0008979500000000 ] - [ 0.0000000000000000, -0.0435422800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021545000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022191700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031452400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027138700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027158600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027492400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026471700000000, 0.0000000000000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031851800000000, 0.0010176100000000, 0.0049457200000000 ] - [ 0.0014940000000000, 0.0024878900000000, 0.0042811500000000 ] - [ 0.0000000000000000, -0.0191113700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023334600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009314400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000366100000000, 0.0000000000000000 ] - [ -0.0020441700000000, -0.0030106500000000, -0.0042855300000000 ] - [ -0.0024629900000000, -0.0006916700000000, -0.0043575800000000 ] - [ 0.0018909200000000, -0.0020282500000000, 0.0042704400000000 ] - [ 0.0027943800000000, -0.0015264600000000, 0.0041439300000000 ] - [ -0.0058926100000000, -0.0002075000000000, -0.0038480200000000 ] - [ -0.0021740800000000, 0.0031757000000000, -0.0042768700000000 ] - [ 0.0058926100000000, -0.0002075000000000, 0.0038480200000000 ] - [ 0.0021740800000000, 0.0031757000000000, 0.0042768700000000 ] - [ 0.0000000000000000, 0.0003678300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009835900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008758600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003519000000000, 0.0000000000000000 ] - [ -0.0018909200000000, -0.0020282500000000, -0.0042704400000000 ] - [ -0.0027943800000000, -0.0015264600000000, -0.0041439300000000 ] - [ 0.0020441700000000, -0.0030106500000000, 0.0042855300000000 ] - [ 0.0024629900000000, -0.0006916700000000, 0.0043575800000000 ] - [ -0.0031851800000000, 0.0010176100000000, -0.0049457200000000 ] - [ -0.0014940000000000, 0.0024878900000000, -0.0042811500000000 ] - [ -0.0012957000000000, -0.0010103700000000, -0.0019172200000000 ] - [ -0.0007319900000000, -0.0009272200000000, 0.0005652300000000 ] - [ 0.0011316600000000, -0.0015590000000000, 0.0003720300000000 ] - [ 0.0014383800000000, -0.0007641000000000, 0.0003928400000000 ] - [ -0.0017326000000000, 0.0020798700000000, -0.0012526200000000 ] - [ -0.0024615300000000, 0.0019965400000000, -0.0010662200000000 ] - [ 0.0013148000000000, 0.0008263200000000, 0.0001377000000000 ] - [ 0.0011331000000000, 0.0016412800000000, 0.0004467600000000 ] - [ -0.0011316600000000, -0.0015590000000000, -0.0003720300000000 ] - [ -0.0014383800000000, -0.0007641000000000, -0.0003928400000000 ] - [ 0.0012957000000000, -0.0010103700000000, 0.0019172200000000 ] - [ 0.0007319900000000, -0.0009272200000000, -0.0005652300000000 ] - [ -0.0013148000000000, 0.0008263200000000, -0.0001377000000000 ] - [ -0.0011331000000000, 0.0016412800000000, -0.0004467600000000 ] - [ 0.0017326000000000, 0.0020798700000000, 0.0012526200000000 ] - [ 0.0024615300000000, 0.0019965400000000, 0.0010662200000000 ] - [ -0.0013150800000000, -0.0016059700000000, -0.0005233200000000 ] - [ -0.0012148000000000, -0.0021523000000000, -0.0004238700000000 ] - [ -0.0007173300000000, -0.0005052900000000, 0.0016454400000000 ] - [ -0.0006818800000000, -0.0009555100000000, 0.0016996400000000 ] - [ -0.0038056600000000, 0.0003568100000000, -0.0014882400000000 ] - [ -0.0033495500000000, -0.0006719400000000, -0.0015788600000000 ] - [ -0.0032998600000000, 0.0006083500000000, -0.0017212600000000 ] - [ -0.0036072200000000, 0.0000004300000000, -0.0014877400000000 ] - [ -0.0012232100000000, -0.0056631200000000, 0.0034824200000000 ] - [ 0.0040416600000000, -0.0023884200000000, 0.0007532200000000 ] - [ 0.0037550500000000, -0.0004580300000000, 0.0015186400000000 ] - [ 0.0026800900000000, -0.0013324000000000, 0.0016491800000000 ] - [ -0.0005684200000000, 0.0012932200000000, 0.0017262600000000 ] - [ -0.0006787400000000, 0.0003994200000000, 0.0015615300000000 ] - [ 0.0039318200000000, 0.0019453000000000, 0.0009636900000000 ] - [ 0.0035647900000000, 0.0011323100000000, 0.0003302900000000 ] - [ 0.0005315600000000, -0.0006531500000000, -0.0013079900000000 ] - [ 0.0014010800000000, -0.0014853300000000, -0.0024891100000000 ] - [ 0.0032908800000000, -0.0046355500000000, -0.0006521400000000 ] - [ 0.0006983100000000, -0.0022784100000000, 0.0011656300000000 ] - [ 0.0023653200000000, -0.0017539000000000, -0.0005358200000000 ] - [ -0.0012530600000000, 0.0001355000000000, -0.0024302200000000 ] - [ 0.0031812500000000, 0.0005854600000000, 0.0013379000000000 ] - [ 0.0037019800000000, 0.0001407900000000, 0.0019458600000000 ] - [ -0.0035256200000000, -0.0013869700000000, -0.0003536900000000 ] - [ -0.0039936800000000, -0.0020624700000000, -0.0007049700000000 ] - [ 0.0007014200000000, 0.0013748900000000, -0.0008438000000000 ] - [ 0.0013382200000000, 0.0016369800000000, 0.0006604700000000 ] - [ -0.0012199300000000, 0.0020807100000000, -0.0004835400000000 ] - [ -0.0014141500000000, 0.0015601200000000, -0.0004726100000000 ] - [ -0.0038237900000000, 0.0020114700000000, -0.0007141100000000 ] - [ -0.0037250800000000, 0.0013335600000000, -0.0005117500000000 ] - [ -0.0032908800000000, -0.0046355500000000, 0.0006521400000000 ] - [ -0.0006983100000000, -0.0022784100000000, -0.0011656300000000 ] - [ -0.0005315600000000, -0.0006531500000000, 0.0013079900000000 ] - [ -0.0014010800000000, -0.0014853300000000, 0.0024891100000000 ] - [ -0.0037550500000000, -0.0004580300000000, -0.0015186400000000 ] - [ -0.0026800900000000, -0.0013324000000000, -0.0016491800000000 ] - [ -0.0031812500000000, 0.0005854600000000, -0.0013379000000000 ] - [ -0.0037019800000000, 0.0001407900000000, -0.0019458600000000 ] - [ 0.0035256200000000, -0.0013869700000000, 0.0003536900000000 ] - [ 0.0039936800000000, -0.0020624700000000, 0.0007049700000000 ] - [ 0.0038056600000000, 0.0003568100000000, 0.0014882400000000 ] - [ 0.0033495500000000, -0.0006719400000000, 0.0015788600000000 ] - [ -0.0023653200000000, -0.0017539000000000, 0.0005358200000000 ] - [ 0.0012530600000000, 0.0001355000000000, 0.0024302200000000 ] - [ 0.0038237900000000, 0.0020114700000000, 0.0007141100000000 ] - [ 0.0037250800000000, 0.0013335600000000, 0.0005117500000000 ] - [ 0.0007173300000000, -0.0005052900000000, -0.0016454400000000 ] - [ 0.0006818800000000, -0.0009555100000000, -0.0016996400000000 ] - [ 0.0013150800000000, -0.0016059700000000, 0.0005233200000000 ] - [ 0.0012148000000000, -0.0021523000000000, 0.0004238700000000 ] - [ 0.0005684200000000, 0.0012932200000000, -0.0017262600000000 ] - [ 0.0006787400000000, 0.0003994200000000, -0.0015615300000000 ] - [ 0.0032998600000000, 0.0006083500000000, 0.0017212600000000 ] - [ 0.0036072200000000, 0.0000004300000000, 0.0014877400000000 ] - [ 0.0012232100000000, -0.0056631200000000, -0.0034824200000000 ] - [ -0.0040416600000000, -0.0023884200000000, -0.0007532200000000 ] - [ 0.0012199300000000, 0.0020807100000000, 0.0004835400000000 ] - [ 0.0014141500000000, 0.0015601200000000, 0.0004726100000000 ] - [ -0.0007014200000000, 0.0013748900000000, 0.0008438000000000 ] - [ -0.0013382200000000, 0.0016369800000000, -0.0006604700000000 ] - [ -0.0039318200000000, 0.0019453000000000, -0.0009636900000000 ] - [ -0.0035647900000000, 0.0011323100000000, -0.0003302900000000 ] - [ 0.0000000000000000, 0.0391898400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032420100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031762800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022493700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026785600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026804100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026446800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027500300000000, 0.0000000000000000 ]- atom: 105 displacement: [ -0.0014194739345051, 0.0000000000000000, 0.0098987420286247 ] forces: - [ 0.0027385100000000, 0.0016460400000000, 0.0051270200000000 ] - [ 0.0023987700000000, 0.0016925500000000, 0.0044387700000000 ] - [ -0.0014432600000000, 0.0006714700000000, 0.0032342600000000 ] - [ -0.0004750000000000, 0.0006464600000000, 0.0002764200000000 ] - [ -0.0003635500000000, -0.0006477700000000, -0.0006198000000000 ] - [ 0.0000962800000000, -0.0006484800000000, -0.0004904000000000 ] - [ -0.0026736200000000, -0.0017077800000000, -0.0047067000000000 ] - [ -0.0023795800000000, -0.0019315600000000, -0.0044168100000000 ] - [ 0.0024780300000000, -0.0017584700000000, 0.0041229500000000 ] - [ 0.0024430300000000, -0.0017104000000000, 0.0039744400000000 ] - [ -0.0005587100000000, 0.0009098500000000, -0.0028614100000000 ] - [ -0.0024772500000000, 0.0018583800000000, -0.0041573300000000 ] - [ 0.0041400700000000, 0.0026224900000000, 0.0057273700000000 ] - [ 0.0022096200000000, 0.0016675600000000, 0.0044446200000000 ] - [ 0.0004635300000000, 0.0006485400000000, 0.0000826800000000 ] - [ 0.0002987900000000, 0.0006476200000000, 0.0000909800000000 ] - [ 0.0002361900000000, -0.0006480000000000, -0.0000504900000000 ] - [ 0.0002152800000000, -0.0006476400000000, -0.0000651300000000 ] - [ -0.0022087900000000, -0.0017692500000000, -0.0044800700000000 ] - [ -0.0022420500000000, -0.0018199000000000, -0.0046275200000000 ] - [ 0.0020103400000000, -0.0018194200000000, 0.0038986200000000 ] - [ 0.0023057400000000, -0.0015986400000000, 0.0041872000000000 ] - [ -0.0019451300000000, 0.0018799600000000, -0.0034802700000000 ] - [ -0.0022875400000000, 0.0018363100000000, -0.0041647600000000 ] - [ -0.0014031500000000, -0.0011536500000000, -0.0002719900000000 ] - [ -0.0019533200000000, -0.0016310900000000, 0.0001337500000000 ] - [ 0.0015146100000000, -0.0011786200000000, 0.0002057800000000 ] - [ 0.0013204700000000, -0.0011464800000000, 0.0003289100000000 ] - [ -0.0020165800000000, 0.0022276800000000, -0.0018824400000000 ] - [ -0.0006681200000000, 0.0009498400000000, -0.0000779100000000 ] - [ 0.0013593900000000, 0.0015964000000000, 0.0003705000000000 ] - [ 0.0013312200000000, 0.0012641300000000, 0.0003821900000000 ] - [ -0.0010708000000000, -0.0011862500000000, -0.0004670700000000 ] - [ -0.0012636100000000, -0.0012191300000000, -0.0003437800000000 ] - [ 0.0011809600000000, -0.0012109700000000, 0.0003996400000000 ] - [ 0.0006291400000000, -0.0007360900000000, 0.0008119800000000 ] - [ -0.0012191200000000, 0.0007758900000000, -0.0003037900000000 ] - [ -0.0012532500000000, 0.0011006900000000, -0.0002903200000000 ] - [ 0.0005718200000000, 0.0001342300000000, -0.0012054100000000 ] - [ 0.0019147200000000, 0.0014211100000000, 0.0005944600000000 ] - [ -0.0011538900000000, -0.0018023300000000, -0.0005546300000000 ] - [ -0.0013798300000000, -0.0018744900000000, -0.0005339300000000 ] - [ -0.0006993600000000, -0.0007622700000000, 0.0016735900000000 ] - [ -0.0007231400000000, -0.0007469400000000, 0.0016673300000000 ] - [ -0.0022823200000000, -0.0003806800000000, -0.0015223200000000 ] - [ -0.0034805700000000, -0.0003077600000000, -0.0016034300000000 ] - [ -0.0036335700000000, 0.0002700900000000, -0.0012813200000000 ] - [ -0.0034623400000000, 0.0002677200000000, -0.0014896800000000 ] - [ 0.0002040500000000, -0.0066993300000000, 0.0021426200000000 ] - [ 0.0037437600000000, -0.0013300000000000, 0.0004414000000000 ] - [ 0.0033572100000000, 0.0000043000000000, 0.0016467800000000 ] - [ 0.0028189200000000, -0.0012761200000000, 0.0018439600000000 ] - [ -0.0008875900000000, 0.0005477700000000, 0.0016746000000000 ] - [ -0.0007512900000000, 0.0007217200000000, 0.0016619200000000 ] - [ 0.0038771300000000, 0.0016444400000000, 0.0006422900000000 ] - [ 0.0039314200000000, 0.0019259200000000, 0.0006799600000000 ] - [ 0.0007106000000000, -0.0007394300000000, -0.0013167900000000 ] - [ 0.0004087500000000, -0.0004151000000000, -0.0011658400000000 ] - [ -0.0001367100000000, 0.0004656900000000, 0.0014500000000000 ] - [ 0.0015469500000000, -0.0020088000000000, 0.0004821000000000 ] - [ 0.0011133300000000, 0.0005081900000000, -0.0018223500000000 ] - [ 0.0006374900000000, 0.0008329800000000, -0.0019585900000000 ] - [ 0.0035890600000000, 0.0002895200000000, 0.0015174200000000 ] - [ 0.0034932300000000, 0.0003106400000000, 0.0015946600000000 ] - [ -0.0040422600000000, -0.0016804000000000, -0.0009245300000000 ] - [ -0.0038278400000000, -0.0017532000000000, -0.0006601000000000 ] - [ 0.0017810400000000, 0.0027375900000000, 0.0010287600000000 ] - [ 0.0014532200000000, 0.0018623600000000, 0.0005715100000000 ] - [ -0.0014438800000000, 0.0018895900000000, -0.0004852400000000 ] - [ -0.0014367800000000, 0.0017679400000000, -0.0004366200000000 ] - [ -0.0038412700000000, 0.0016480700000000, -0.0005352600000000 ] - [ -0.0038374100000000, 0.0016902900000000, -0.0006029400000000 ] - [ -0.0027148500000000, -0.0041744100000000, 0.0004188600000000 ] - [ -0.0010519300000000, -0.0017280100000000, -0.0005360700000000 ] - [ -0.0006682400000000, -0.0007091000000000, 0.0020396400000000 ] - [ -0.0009678100000000, -0.0010332500000000, 0.0021875200000000 ] - [ -0.0035510900000000, -0.0006104200000000, -0.0014798800000000 ] - [ -0.0040858000000000, 0.0006671200000000, -0.0012839000000000 ] - [ -0.0033194300000000, 0.0003160700000000, -0.0016105000000000 ] - [ -0.0034141800000000, 0.0002946900000000, -0.0015317500000000 ] - [ 0.0035103100000000, -0.0016473000000000, 0.0003160700000000 ] - [ 0.0037230600000000, -0.0015723800000000, 0.0005775100000000 ] - [ 0.0046213300000000, -0.0002305900000000, 0.0016012500000000 ] - [ 0.0034274500000000, -0.0002967200000000, 0.0015232700000000 ] - [ -0.0002663200000000, 0.0009393500000000, 0.0015331000000000 ] - [ -0.0007479900000000, 0.0006195200000000, 0.0013941600000000 ] - [ 0.0037107500000000, 0.0016779700000000, 0.0007024300000000 ] - [ 0.0037143100000000, 0.0016362500000000, 0.0006349900000000 ] - [ 0.0006774900000000, -0.0006884700000000, -0.0016839200000000 ] - [ 0.0006551000000000, -0.0007018200000000, -0.0016885000000000 ] - [ 0.0014401300000000, -0.0019354700000000, 0.0004656800000000 ] - [ 0.0012166500000000, -0.0018629300000000, 0.0004861100000000 ] - [ 0.0004897500000000, 0.0008999000000000, -0.0016812100000000 ] - [ 0.0006269000000000, 0.0007275200000000, -0.0016940600000000 ] - [ 0.0032745800000000, 0.0003343900000000, 0.0018443900000000 ] - [ 0.0034455800000000, 0.0003378300000000, 0.0016370300000000 ] - [ -0.0073131500000000, 0.0033397700000000, 0.0009172500000000 ] - [ -0.0038065800000000, -0.0019929600000000, -0.0007949100000000 ] - [ 0.0011528100000000, 0.0018479200000000, 0.0005343600000000 ] - [ 0.0011600400000000, 0.0019697700000000, 0.0005828100000000 ] - [ -0.0008128200000000, 0.0009907300000000, 0.0000103800000000 ] - [ -0.0011434900000000, 0.0018755300000000, -0.0004478000000000 ] - [ -0.0036739200000000, 0.0016809400000000, -0.0005956000000000 ] - [ -0.0036193500000000, 0.0013996200000000, -0.0005581600000000 ] - [ 0.0069229600000000, -0.0027039700000000, -0.0116577200000000 ] - [ 0.0001724700000000, -0.0026965900000000, -0.0000496200000000 ] - [ 0.0000182500000000, 0.0026967500000000, 0.0001189700000000 ] - [ 0.0000599000000000, 0.0026973500000000, 0.0000150900000000 ] - [ -0.0001872300000000, -0.0026969600000000, 0.0000044000000000 ] - [ -0.0001193100000000, -0.0026971200000000, 0.0000141400000000 ] - [ -0.0000740800000000, 0.0026967800000000, 0.0000122000000000 ] - [ -0.0000824700000000, 0.0026971100000000, 0.0000275900000000 ]