# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/16d4e882-68ee-4e36-97a9-984a9f4b6353/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 Ca10P6SeO24 / P-3 (147) / materials id 17516](https://mdr.nims.go.jp/datasets/5f27bc0d-86e8-426e-9390-f223ae531e10) ## 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: "P-3" number: 147 Hall_symbol: "-P 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.456827010000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.728413520000000, 8.189852430000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.800160190000000 ] # c points: - symbol: O # 1 coordinates: [ 0.515874530000000, 0.674716310000000, 0.744976000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.158841780000000, 0.484125470000000, 0.744976000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.325283690000000, 0.841158220000000, 0.744976000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.484125470000000, 0.325283690000000, 0.255024000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.841158220000000, 0.515874530000000, 0.255024000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.674716310000000, 0.158841780000000, 0.255024000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.531237980000000, 0.414844410000000, 0.802297780000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.883606430000000, 0.468762020000000, 0.802297780000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.585155590000000, 0.116393570000000, 0.802297780000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.468762020000000, 0.585155590000000, 0.197702220000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.116393570000000, 0.531237980000000, 0.197702220000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.414844410000000, 0.883606430000000, 0.197702220000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.765152440000000, 0.694624620000000, 0.905432040000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.929472180000000, 0.234847560000000, 0.905432040000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.305375380000000, 0.070527820000000, 0.905432040000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.234847560000000, 0.305375380000000, 0.094567960000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.070527820000000, 0.765152440000000, 0.094567960000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.694624620000000, 0.929472180000000, 0.094567960000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.710326800000000, 0.610087120000000, 0.550832340000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.899760330000000, 0.289673200000000, 0.550832340000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.389912880000000, 0.100239670000000, 0.550832340000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.289673200000000, 0.389912880000000, 0.449167660000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.100239670000000, 0.710326800000000, 0.449167660000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.610087120000000, 0.899760330000000, 0.449167660000000 ] mass: 15.999400 - symbol: P # 25 coordinates: [ 0.028783640000000, 0.629066910000000, 0.248900990000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.370933090000000, 0.399716720000000, 0.248900990000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.399716720000000, 0.028783640000000, 0.751099010000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.971216360000000, 0.370933090000000, 0.751099010000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.629066910000000, 0.600283280000000, 0.751099010000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.600283280000000, 0.971216360000000, 0.248900990000000 ] mass: 30.973762 - symbol: Ca # 31 coordinates: [ 0.249422660000000, 0.261848180000000, 0.750271080000000 ] mass: 40.078000 - symbol: Ca # 32 coordinates: [ 0.987574480000000, 0.249422660000000, 0.249728920000000 ] mass: 40.078000 - symbol: Ca # 33 coordinates: [ 0.261848180000000, 0.012425520000000, 0.249728920000000 ] mass: 40.078000 - symbol: Ca # 34 coordinates: [ 0.750577340000000, 0.738151820000000, 0.249728920000000 ] mass: 40.078000 - symbol: Ca # 35 coordinates: [ 0.012425520000000, 0.750577340000000, 0.750271080000000 ] mass: 40.078000 - symbol: Ca # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.512418020000000 ] mass: 40.078000 - symbol: Ca # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.487581980000000 ] mass: 40.078000 - symbol: Ca # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.020215600000000 ] mass: 40.078000 - symbol: Ca # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979784400000000 ] mass: 40.078000 - symbol: Ca # 40 coordinates: [ 0.738151820000000, 0.987574480000000, 0.750271080000000 ] mass: 40.078000 - symbol: Se # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.105743712869291, 0.061051161282787, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.122102322178228, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.147055359294411 ] # c*unit_cell: lattice: - [ 9.456827010000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.728413520000000, 8.189852430000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.800160190000000 ] # c points: - symbol: O # 1 coordinates: [ 0.515874530000000, 0.674716310000000, 0.744976000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.158841780000000, 0.484125470000000, 0.744976000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.325283690000000, 0.841158220000000, 0.744976000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.484125470000000, 0.325283690000000, 0.255024000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.841158220000000, 0.515874530000000, 0.255024000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.674716310000000, 0.158841780000000, 0.255024000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.531237980000000, 0.414844410000000, 0.802297780000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.883606430000000, 0.468762020000000, 0.802297780000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.585155590000000, 0.116393570000000, 0.802297780000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.468762020000000, 0.585155590000000, 0.197702220000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.116393570000000, 0.531237980000000, 0.197702220000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.414844410000000, 0.883606430000000, 0.197702220000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.765152440000000, 0.694624620000000, 0.905432040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.929472180000000, 0.234847560000000, 0.905432040000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.305375380000000, 0.070527820000000, 0.905432040000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.234847560000000, 0.305375380000000, 0.094567960000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.070527820000000, 0.765152440000000, 0.094567960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.694624620000000, 0.929472180000000, 0.094567960000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.710326800000000, 0.610087120000000, 0.550832340000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.899760330000000, 0.289673200000000, 0.550832340000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.389912880000000, 0.100239670000000, 0.550832340000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.289673200000000, 0.389912880000000, 0.449167660000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.100239670000000, 0.710326800000000, 0.449167660000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.610087120000000, 0.899760330000000, 0.449167660000000 ] mass: 15.999400 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.028783640000000, 0.629066910000000, 0.248900990000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.370933090000000, 0.399716720000000, 0.248900990000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.399716720000000, 0.028783640000000, 0.751099010000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.971216360000000, 0.370933090000000, 0.751099010000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.629066910000000, 0.600283280000000, 0.751099010000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.600283280000000, 0.971216360000000, 0.248900990000000 ] mass: 30.973762 reduced_to: 30 - symbol: Ca # 31 coordinates: [ 0.249422660000000, 0.261848180000000, 0.750271080000000 ] mass: 40.078000 reduced_to: 31 - symbol: Ca # 32 coordinates: [ 0.987574480000000, 0.249422660000000, 0.249728920000000 ] mass: 40.078000 reduced_to: 32 - symbol: Ca # 33 coordinates: [ 0.261848180000000, 0.012425520000000, 0.249728920000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 34 coordinates: [ 0.750577340000000, 0.738151820000000, 0.249728920000000 ] mass: 40.078000 reduced_to: 34 - symbol: Ca # 35 coordinates: [ 0.012425520000000, 0.750577340000000, 0.750271080000000 ] mass: 40.078000 reduced_to: 35 - symbol: Ca # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.512418020000000 ] mass: 40.078000 reduced_to: 36 - symbol: Ca # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.487581980000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.020215600000000 ] mass: 40.078000 reduced_to: 38 - symbol: Ca # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979784400000000 ] mass: 40.078000 reduced_to: 39 - symbol: Ca # 40 coordinates: [ 0.738151820000000, 0.987574480000000, 0.750271080000000 ] mass: 40.078000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 41supercell: lattice: - [ 9.456827010000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.728413520000000, 8.189852430000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.600320379999999 ] # c points: - symbol: O # 1 coordinates: [ 0.515874530000000, 0.674716310000000, 0.372488000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.515874530000000, 0.674716310000000, 0.872488000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.158841780000000, 0.484125470000000, 0.372488000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.158841780000000, 0.484125470000000, 0.872488000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.325283690000000, 0.841158220000000, 0.372488000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.325283690000000, 0.841158220000000, 0.872488000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.484125470000000, 0.325283690000000, 0.127512000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.484125470000000, 0.325283690000000, 0.627512000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.841158220000000, 0.515874530000000, 0.127512000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.841158220000000, 0.515874530000000, 0.627512000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.674716310000000, 0.158841780000000, 0.127512000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.674716310000000, 0.158841780000000, 0.627512000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.531237980000000, 0.414844410000000, 0.401148890000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.531237980000000, 0.414844410000000, 0.901148890000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.883606430000000, 0.468762020000000, 0.401148890000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.883606430000000, 0.468762020000000, 0.901148890000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.585155590000000, 0.116393570000000, 0.401148890000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.585155590000000, 0.116393570000000, 0.901148890000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.468762020000000, 0.585155590000000, 0.098851110000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.468762020000000, 0.585155590000000, 0.598851110000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.116393570000000, 0.531237980000000, 0.098851110000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.116393570000000, 0.531237980000000, 0.598851110000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.414844410000000, 0.883606430000000, 0.098851110000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.414844410000000, 0.883606430000000, 0.598851110000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.765152440000000, 0.694624620000000, 0.452716020000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.765152440000000, 0.694624620000000, 0.952716020000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.929472180000000, 0.234847560000000, 0.452716020000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.929472180000000, 0.234847560000000, 0.952716020000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.305375380000000, 0.070527820000000, 0.452716020000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.305375380000000, 0.070527820000000, 0.952716020000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.234847560000000, 0.305375380000000, 0.047283980000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.234847560000000, 0.305375380000000, 0.547283980000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.070527820000000, 0.765152440000000, 0.047283980000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.070527820000000, 0.765152440000000, 0.547283980000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.694624620000000, 0.929472180000000, 0.047283980000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.694624620000000, 0.929472180000000, 0.547283980000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.710326800000000, 0.610087120000000, 0.275416170000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.710326800000000, 0.610087120000000, 0.775416170000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.899760330000000, 0.289673200000000, 0.275416170000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.899760330000000, 0.289673200000000, 0.775416170000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.389912880000000, 0.100239670000000, 0.275416170000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.389912880000000, 0.100239670000000, 0.775416170000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.289673200000000, 0.389912880000000, 0.224583830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.289673200000000, 0.389912880000000, 0.724583830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.100239670000000, 0.710326800000000, 0.224583830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.100239670000000, 0.710326800000000, 0.724583830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.610087120000000, 0.899760330000000, 0.224583830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.610087120000000, 0.899760330000000, 0.724583830000000 ] mass: 15.999400 reduced_to: 47 - symbol: P # 49 coordinates: [ 0.028783640000000, 0.629066910000000, 0.124450495000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.028783640000000, 0.629066910000000, 0.624450495000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 51 coordinates: [ 0.370933090000000, 0.399716720000000, 0.124450495000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.370933090000000, 0.399716720000000, 0.624450495000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 53 coordinates: [ 0.399716720000000, 0.028783640000000, 0.375549505000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.399716720000000, 0.028783640000000, 0.875549505000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 55 coordinates: [ 0.971216360000000, 0.370933090000000, 0.375549505000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.971216360000000, 0.370933090000000, 0.875549505000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 57 coordinates: [ 0.629066910000000, 0.600283280000000, 0.375549505000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.629066910000000, 0.600283280000000, 0.875549505000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 59 coordinates: [ 0.600283280000000, 0.971216360000000, 0.124450495000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.600283280000000, 0.971216360000000, 0.624450495000000 ] mass: 30.973762 reduced_to: 59 - symbol: Ca # 61 coordinates: [ 0.249422660000000, 0.261848180000000, 0.375135540000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 62 coordinates: [ 0.249422660000000, 0.261848180000000, 0.875135540000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 63 coordinates: [ 0.987574480000000, 0.249422660000000, 0.124864460000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 64 coordinates: [ 0.987574480000000, 0.249422660000000, 0.624864460000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 65 coordinates: [ 0.261848180000000, 0.012425520000000, 0.124864460000000 ] mass: 40.078000 reduced_to: 65 - symbol: Ca # 66 coordinates: [ 0.261848180000000, 0.012425520000000, 0.624864460000000 ] mass: 40.078000 reduced_to: 65 - symbol: Ca # 67 coordinates: [ 0.750577340000000, 0.738151820000000, 0.124864460000000 ] mass: 40.078000 reduced_to: 67 - symbol: Ca # 68 coordinates: [ 0.750577340000000, 0.738151820000000, 0.624864460000000 ] mass: 40.078000 reduced_to: 67 - symbol: Ca # 69 coordinates: [ 0.012425520000000, 0.750577340000000, 0.375135540000000 ] mass: 40.078000 reduced_to: 69 - symbol: Ca # 70 coordinates: [ 0.012425520000000, 0.750577340000000, 0.875135540000000 ] mass: 40.078000 reduced_to: 69 - symbol: Ca # 71 coordinates: [ 0.666666670000000, 0.333333330000000, 0.256209010000000 ] mass: 40.078000 reduced_to: 71 - symbol: Ca # 72 coordinates: [ 0.666666670000000, 0.333333330000000, 0.756209010000000 ] mass: 40.078000 reduced_to: 71 - symbol: Ca # 73 coordinates: [ 0.333333330000000, 0.666666670000000, 0.243790990000000 ] mass: 40.078000 reduced_to: 73 - symbol: Ca # 74 coordinates: [ 0.333333330000000, 0.666666670000000, 0.743790990000000 ] mass: 40.078000 reduced_to: 73 - symbol: Ca # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.010107800000000 ] mass: 40.078000 reduced_to: 75 - symbol: Ca # 76 coordinates: [ 0.666666670000000, 0.333333330000000, 0.510107800000000 ] mass: 40.078000 reduced_to: 75 - symbol: Ca # 77 coordinates: [ 0.333333330000000, 0.666666670000000, 0.489892200000000 ] mass: 40.078000 reduced_to: 77 - symbol: Ca # 78 coordinates: [ 0.333333330000000, 0.666666670000000, 0.989892200000000 ] mass: 40.078000 reduced_to: 77 - symbol: Ca # 79 coordinates: [ 0.738151820000000, 0.987574480000000, 0.375135540000000 ] mass: 40.078000 reduced_to: 79 - symbol: Ca # 80 coordinates: [ 0.738151820000000, 0.987574480000000, 0.875135540000000 ] mass: 40.078000 reduced_to: 79 - symbol: Se # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 81displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3793932300000000, 0.1220422900000000, -0.0075474700000000 ] - [ -0.0000332000000000, 0.0000209600000000, -0.0002353800000000 ] - [ 0.0112639600000000, 0.0082426800000000, 0.0003313800000000 ] - [ -0.0001480200000000, -0.0002402900000000, -0.0002546400000000 ] - [ 0.0096673500000000, -0.0091511100000000, 0.0005091200000000 ] - [ -0.0000291900000000, 0.0003139000000000, -0.0002329200000000 ] - [ -0.0021816400000000, -0.0004185500000000, -0.0004007200000000 ] - [ -0.0018679400000000, 0.0002073400000000, 0.0009965100000000 ] - [ 0.0033895400000000, 0.0006287900000000, -0.0018155600000000 ] - [ 0.0029976600000000, 0.0001884900000000, 0.0016945500000000 ] - [ 0.0006383800000000, -0.0022348700000000, 0.0004177400000000 ] - [ 0.0001016500000000, -0.0018755300000000, 0.0004920700000000 ] - [ 0.0043887600000000, -0.0164464400000000, 0.0023607500000000 ] - [ 0.0000059800000000, 0.0001482700000000, 0.0000888000000000 ] - [ 0.0068152000000000, -0.0022922300000000, -0.0001242700000000 ] - [ 0.0004229600000000, -0.0004297500000000, -0.0000536400000000 ] - [ -0.0003319900000000, -0.0036949300000000, -0.0000992100000000 ] - [ -0.0003316900000000, -0.0001472700000000, 0.0000577700000000 ] - [ -0.0021544600000000, 0.0000509900000000, 0.0004256500000000 ] - [ -0.0037349600000000, 0.0009851400000000, -0.0019950200000000 ] - [ 0.0021735200000000, 0.0008168200000000, 0.0009683800000000 ] - [ 0.0045380700000000, 0.0015983600000000, -0.0032555300000000 ] - [ 0.0004040200000000, -0.0012531100000000, 0.0011208500000000 ] - [ -0.0004662600000000, -0.0030790100000000, -0.0025604500000000 ] - [ 0.0379862900000000, -0.0031653500000000, 0.0178609500000000 ] - [ 0.0000649700000000, -0.0007302900000000, -0.0005345100000000 ] - [ 0.0009246700000000, 0.0014201200000000, -0.0005420900000000 ] - [ -0.0006620700000000, 0.0001121700000000, -0.0000119200000000 ] - [ 0.0018136500000000, -0.0024082000000000, -0.0010204800000000 ] - [ 0.0005561400000000, 0.0004652000000000, -0.0000823600000000 ] - [ -0.0005271900000000, 0.0010506600000000, 0.0005579600000000 ] - [ -0.0012824100000000, 0.0014523300000000, -0.0006161400000000 ] - [ 0.0014688000000000, 0.0000489800000000, -0.0000075200000000 ] - [ 0.0043180200000000, -0.0004232300000000, 0.0015384800000000 ] - [ -0.0015668200000000, -0.0003425300000000, 0.0010310000000000 ] - [ -0.0031606500000000, -0.0009474200000000, -0.0009102500000000 ] - [ 0.0249100800000000, -0.0122579200000000, -0.0142698000000000 ] - [ -0.0002147500000000, -0.0010544200000000, 0.0008960200000000 ] - [ 0.0017442100000000, 0.0013878400000000, 0.0012221800000000 ] - [ -0.0005148400000000, 0.0004098900000000, 0.0001777800000000 ] - [ 0.0012265500000000, -0.0030058000000000, 0.0014165400000000 ] - [ 0.0008011700000000, 0.0001924700000000, 0.0002787400000000 ] - [ -0.0019454100000000, 0.0039233500000000, 0.0021993800000000 ] - [ -0.0001838300000000, 0.0011959800000000, -0.0007649800000000 ] - [ 0.0046951500000000, -0.0002854500000000, -0.0003129000000000 ] - [ 0.0016505200000000, -0.0007663600000000, -0.0003460400000000 ] - [ -0.0030600000000000, -0.0037116500000000, 0.0035595300000000 ] - [ -0.0014855500000000, -0.0004235500000000, -0.0010089100000000 ] - [ -0.0045517000000000, -0.0014147400000000, -0.0000990800000000 ] - [ -0.0058722500000000, 0.0019732900000000, -0.0003519400000000 ] - [ 0.0035032900000000, -0.0003242300000000, -0.0012853100000000 ] - [ 0.0023733800000000, -0.0016244600000000, 0.0008868700000000 ] - [ -0.0014495500000000, 0.0118902200000000, -0.0003917600000000 ] - [ 0.0000087700000000, 0.0002023000000000, -0.0002890400000000 ] - [ -0.0101653600000000, -0.0034643600000000, 0.0000675500000000 ] - [ -0.0004209400000000, 0.0001728300000000, -0.0002325200000000 ] - [ 0.2793722300000000, -0.0913598700000000, 0.0061478000000000 ] - [ 0.0008030200000000, -0.0000009500000000, -0.0004471500000000 ] - [ 0.0000537700000000, 0.0021167300000000, -0.0023591000000000 ] - [ 0.0023549500000000, 0.0022399300000000, 0.0018259200000000 ] - [ 0.0048679100000000, -0.0045275700000000, -0.0012948100000000 ] - [ 0.0008559000000000, -0.0015602900000000, -0.0013490400000000 ] - [ 0.0017661100000000, -0.0008282000000000, 0.0013500000000000 ] - [ 0.0015658700000000, -0.0007988100000000, 0.0019734100000000 ] - [ -0.0018858700000000, -0.0009863800000000, 0.0014805900000000 ] - [ -0.0018096500000000, -0.0013533100000000, 0.0015590100000000 ] - [ 0.0013858100000000, -0.0013831000000000, 0.0070360200000000 ] - [ 0.0015183600000000, 0.0003121500000000, -0.0050293800000000 ] - [ -0.0125980400000000, -0.0028335800000000, 0.0007462800000000 ] - [ -0.0019559700000000, -0.0000150300000000, -0.0012865800000000 ] - [ -0.0034957800000000, 0.0068837500000000, 0.0027203600000000 ] - [ -0.0000877700000000, 0.0004841300000000, -0.0000452200000000 ] - [ 0.0025378500000000, -0.0002532000000000, -0.0026394700000000 ] - [ 0.0001034000000000, -0.0001112300000000, 0.0009724800000000 ] - [ -0.0001023100000000, 0.0006440300000000, 0.0002910700000000 ] - [ -0.0032207100000000, 0.0047572500000000, -0.0036956200000000 ] - [ 0.0112569300000000, -0.0004632900000000, -0.0035911000000000 ] - [ 0.0000981600000000, -0.0001809200000000, -0.0003698600000000 ] - [ 0.0081265500000000, 0.0020941500000000, -0.0012708600000000 ] - [ 0.0010869800000000, 0.0013970100000000, -0.0013742100000000 ] - [ 0.0002019800000000, 0.0017863400000000, -0.0010420000000000 ] - [ 0.0000835000000000, 0.0004116600000000, 0.0001872700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3639010500000000, -0.1136951200000000, 0.0061642500000000 ] - [ 0.0009736300000000, -0.0001861700000000, -0.0001803700000000 ] - [ -0.0119673900000000, -0.0090598300000000, -0.0007488100000000 ] - [ -0.0004640700000000, -0.0004934200000000, -0.0001603500000000 ] - [ -0.0101088500000000, 0.0101475400000000, -0.0009312500000000 ] - [ -0.0003034700000000, 0.0005929600000000, -0.0001807100000000 ] - [ 0.0012290100000000, 0.0005850500000000, 0.0008175000000000 ] - [ 0.0009158000000000, -0.0000334000000000, -0.0005838300000000 ] - [ -0.0027743900000000, 0.0000982600000000, 0.0022214800000000 ] - [ -0.0023864300000000, 0.0005366000000000, -0.0012701600000000 ] - [ -0.0002979200000000, 0.0013122200000000, 0.0000097700000000 ] - [ 0.0002433600000000, 0.0009669500000000, -0.0000821500000000 ] - [ -0.0040933900000000, 0.0169969300000000, -0.0021571800000000 ] - [ 0.0004251400000000, 0.0004369700000000, 0.0000990100000000 ] - [ -0.0065377600000000, 0.0016080200000000, 0.0003138400000000 ] - [ -0.0001286800000000, -0.0002442800000000, 0.0002408300000000 ] - [ -0.0003785400000000, 0.0037857800000000, 0.0002859700000000 ] - [ -0.0003936300000000, 0.0002293800000000, 0.0001306000000000 ] - [ 0.0017238200000000, -0.0006389500000000, -0.0006037500000000 ] - [ 0.0033163800000000, -0.0015461600000000, 0.0017586000000000 ] - [ -0.0024692500000000, -0.0001552400000000, -0.0011683400000000 ] - [ -0.0048477600000000, -0.0009532900000000, 0.0030917000000000 ] - [ 0.0003418400000000, 0.0011847100000000, -0.0013028900000000 ] - [ 0.0012148200000000, 0.0030204800000000, 0.0023858100000000 ] - [ -0.0367182600000000, 0.0018788300000000, -0.0173017100000000 ] - [ 0.0004779800000000, -0.0005255700000000, 0.0006295500000000 ] - [ -0.0022979300000000, -0.0013020800000000, 0.0006349800000000 ] - [ -0.0007024800000000, 0.0000375300000000, 0.0001091500000000 ] - [ -0.0009969800000000, 0.0035308700000000, 0.0011188400000000 ] - [ 0.0002593300000000, 0.0006373100000000, 0.0001782100000000 ] - [ -0.0000172600000000, 0.0002079500000000, -0.0006435000000000 ] - [ 0.0007472900000000, -0.0001869500000000, 0.0005221400000000 ] - [ -0.0001047300000000, -0.0001994800000000, -0.0000904700000000 ] - [ -0.0029464700000000, 0.0002684200000000, -0.0016166800000000 ] - [ 0.0007483400000000, -0.0007583700000000, -0.0011124900000000 ] - [ 0.0023541500000000, -0.0001823100000000, 0.0007607600000000 ] - [ -0.0245607700000000, 0.0104373800000000, 0.0147462100000000 ] - [ 0.0001528600000000, -0.0005474300000000, -0.0000974200000000 ] - [ -0.0031108200000000, -0.0005561800000000, -0.0004338100000000 ] - [ -0.0008454100000000, 0.0004398900000000, 0.0006182700000000 ] - [ 0.0001866800000000, 0.0037785200000000, -0.0006342300000000 ] - [ 0.0006159500000000, 0.0005626300000000, 0.0005158000000000 ] - [ 0.0020232000000000, -0.0023051400000000, -0.0029656700000000 ] - [ 0.0002511700000000, 0.0004126800000000, -0.0000416400000000 ] - [ -0.0033410200000000, -0.0005644800000000, -0.0004913900000000 ] - [ -0.0002900800000000, -0.0000793300000000, -0.0004349100000000 ] - [ 0.0016870600000000, 0.0029025100000000, -0.0042656000000000 ] - [ 0.0000778400000000, -0.0003281400000000, 0.0002101600000000 ] - [ 0.0046165100000000, 0.0010762200000000, 0.0009293500000000 ] - [ 0.0059437500000000, -0.0023135000000000, 0.0011478200000000 ] - [ -0.0032274700000000, 0.0005427000000000, 0.0020719600000000 ] - [ -0.0021192700000000, 0.0018199500000000, -0.0000588200000000 ] - [ 0.0017626400000000, -0.0120760400000000, -0.0004260300000000 ] - [ 0.0003211400000000, -0.0003244800000000, -0.0005245100000000 ] - [ 0.0101145700000000, 0.0038326400000000, -0.0008887600000000 ] - [ 0.0003631200000000, 0.0001634800000000, -0.0005816800000000 ] - [ -0.2630435800000000, 0.0829443600000000, -0.0064822500000000 ] - [ -0.0010552800000000, -0.0002206900000000, -0.0003692100000000 ] - [ -0.0004061000000000, -0.0019900300000000, 0.0031264000000000 ] - [ -0.0027458800000000, -0.0021203000000000, -0.0009888700000000 ] - [ -0.0033130500000000, 0.0015839100000000, -0.0016024800000000 ] - [ 0.0007227400000000, -0.0013398900000000, -0.0015489200000000 ] - [ 0.0015313700000000, 0.0007498500000000, 0.0015477700000000 ] - [ 0.0017343500000000, 0.0007252200000000, 0.0009287500000000 ] - [ 0.0001621500000000, -0.0018449700000000, 0.0014196200000000 ] - [ 0.0000850500000000, -0.0014827900000000, 0.0013358700000000 ] - [ -0.0029384800000000, 0.0042672800000000, -0.0041358000000000 ] - [ -0.0030621000000000, 0.0025798200000000, 0.0079148400000000 ] - [ 0.0092796500000000, 0.0029075900000000, -0.0036301200000000 ] - [ -0.0013439000000000, 0.0001003500000000, -0.0016145500000000 ] - [ 0.0034982900000000, -0.0068652300000000, -0.0023348500000000 ] - [ 0.0000893000000000, -0.0004823300000000, 0.0004394500000000 ] - [ -0.0029145800000000, 0.0002598900000000, 0.0018571200000000 ] - [ -0.0001139300000000, 0.0001154200000000, -0.0013722400000000 ] - [ 0.0001018900000000, -0.0006403200000000, -0.0009621400000000 ] - [ 0.0032319000000000, -0.0047411400000000, 0.0030368100000000 ] - [ -0.0118986800000000, 0.0004593800000000, 0.0049359000000000 ] - [ -0.0001028500000000, 0.0001802900000000, 0.0010460100000000 ] - [ -0.0063958000000000, 0.0008398500000000, -0.0016163500000000 ] - [ 0.0006395200000000, 0.0014297600000000, -0.0015251800000000 ] - [ -0.0002149600000000, -0.0017826100000000, 0.0010468600000000 ] - [ -0.0000849700000000, -0.0004086600000000, -0.0001858900000000 ]- atom: 1 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.2815573700000000, -0.1545757900000000, 0.0080425800000000 ] - [ 0.0008109100000000, -0.0003444400000000, -0.0001869800000000 ] - [ -0.0021045100000000, -0.0032347700000000, -0.0006141000000000 ] - [ -0.0002915500000000, -0.0004333500000000, -0.0001899400000000 ] - [ -0.0100059200000000, 0.0082227700000000, -0.0006285500000000 ] - [ -0.0003382700000000, 0.0005324000000000, -0.0002249900000000 ] - [ -0.0000585200000000, 0.0006562200000000, 0.0013942500000000 ] - [ 0.0003221900000000, 0.0001449400000000, -0.0012867100000000 ] - [ -0.0018338900000000, 0.0000972400000000, 0.0017433300000000 ] - [ -0.0013791500000000, -0.0001191200000000, -0.0007850400000000 ] - [ -0.0007770400000000, 0.0025636100000000, -0.0006692200000000 ] - [ -0.0008392600000000, 0.0020715700000000, 0.0000960700000000 ] - [ -0.0289701500000000, 0.0291585200000000, -0.0060318700000000 ] - [ 0.0002501500000000, 0.0002721300000000, 0.0001485800000000 ] - [ -0.0040800500000000, 0.0009410700000000, -0.0000208600000000 ] - [ -0.0000365400000000, -0.0002641100000000, 0.0002112800000000 ] - [ -0.0027279200000000, 0.0049856500000000, 0.0004884900000000 ] - [ -0.0005278900000000, 0.0002540000000000, 0.0000576700000000 ] - [ 0.0008532400000000, -0.0016246700000000, 0.0002457200000000 ] - [ 0.0018661000000000, -0.0021606000000000, -0.0004617000000000 ] - [ -0.0015152800000000, -0.0001945900000000, -0.0007040500000000 ] - [ -0.0030042800000000, -0.0006887800000000, 0.0019382600000000 ] - [ -0.0008110300000000, 0.0003831900000000, -0.0017596800000000 ] - [ -0.0001710100000000, 0.0015089500000000, 0.0016981200000000 ] - [ -0.0114707000000000, -0.0090561400000000, -0.0052363900000000 ] - [ 0.0003927500000000, -0.0006953800000000, 0.0004121100000000 ] - [ -0.0009343700000000, 0.0024273300000000, 0.0005998900000000 ] - [ -0.0005948100000000, 0.0002174300000000, 0.0000733100000000 ] - [ -0.0012708000000000, 0.0042955200000000, 0.0010379600000000 ] - [ 0.0001991700000000, 0.0007295100000000, 0.0001416800000000 ] - [ 0.0000470700000000, 0.0007365600000000, 0.0009934400000000 ] - [ 0.0008799800000000, 0.0006109300000000, -0.0011505200000000 ] - [ 0.0001732500000000, -0.0003877000000000, 0.0000167700000000 ] - [ -0.0011903900000000, 0.0000550400000000, -0.0007744300000000 ] - [ 0.0007372200000000, -0.0006872600000000, -0.0022832400000000 ] - [ 0.0008210000000000, 0.0018783700000000, 0.0053857700000000 ] - [ -0.0184268000000000, -0.0027203400000000, 0.0096245200000000 ] - [ 0.0000378200000000, -0.0008183500000000, 0.0001771000000000 ] - [ -0.0018214600000000, 0.0013903000000000, 0.0000765900000000 ] - [ -0.0007570300000000, 0.0005281100000000, 0.0005437200000000 ] - [ -0.0000616800000000, 0.0041500800000000, -0.0001571500000000 ] - [ 0.0005604300000000, 0.0006340800000000, 0.0003540000000000 ] - [ 0.0018961900000000, 0.0008941700000000, 0.0026112800000000 ] - [ 0.0004689600000000, 0.0005104200000000, -0.0008361600000000 ] - [ -0.0018359200000000, -0.0008575700000000, -0.0004528500000000 ] - [ 0.0000552900000000, -0.0003380500000000, -0.0004055000000000 ] - [ -0.0010232900000000, 0.0061777900000000, -0.0116850000000000 ] - [ -0.0006702500000000, -0.0005216700000000, 0.0010444700000000 ] - [ 0.0031003600000000, 0.0010167100000000, 0.0005309200000000 ] - [ 0.0035719400000000, -0.0010169300000000, 0.0007220200000000 ] - [ -0.0002877300000000, 0.0010542000000000, -0.0025147600000000 ] - [ -0.0015557400000000, 0.0014370600000000, 0.0023915000000000 ] - [ 0.0034772500000000, -0.0116902000000000, -0.0006503000000000 ] - [ 0.0005168100000000, -0.0003060200000000, -0.0003947500000000 ] - [ 0.0048591000000000, -0.0018249500000000, -0.0001112200000000 ] - [ 0.0001329400000000, -0.0000127600000000, -0.0005234900000000 ] - [ -0.2061033400000000, 0.1248628400000000, -0.0041959300000000 ] - [ -0.0006799700000000, 0.0000724700000000, -0.0004074000000000 ] - [ 0.0012874800000000, -0.0025575500000000, 0.0059499500000000 ] - [ 0.0017500800000000, -0.0025982100000000, -0.0033797800000000 ] - [ -0.0051341700000000, -0.0069545100000000, -0.0021347400000000 ] - [ 0.0007274700000000, -0.0015805500000000, -0.0015935800000000 ] - [ 0.0007400700000000, -0.0003598000000000, 0.0013367700000000 ] - [ 0.0009734300000000, -0.0002834400000000, 0.0011206900000000 ] - [ -0.0000940700000000, -0.0021375600000000, 0.0013544800000000 ] - [ -0.0000990800000000, -0.0020922200000000, 0.0016229200000000 ] - [ -0.0029095200000000, 0.0044295400000000, -0.0020277900000000 ] - [ -0.0023961800000000, 0.0031891600000000, 0.0038341600000000 ] - [ 0.0046005700000000, 0.0024737000000000, -0.0018977300000000 ] - [ -0.0014599000000000, 0.0001458800000000, -0.0015834100000000 ] - [ 0.0045826200000000, -0.0057676600000000, -0.0039631800000000 ] - [ 0.0003789100000000, -0.0004289100000000, 0.0005488400000000 ] - [ -0.0004397400000000, 0.0054247600000000, 0.0018458700000000 ] - [ -0.0001812200000000, 0.0005804400000000, -0.0008128300000000 ] - [ 0.0003910000000000, -0.0006773700000000, -0.0008561400000000 ] - [ 0.0051252800000000, -0.0038514900000000, 0.0048477100000000 ] - [ -0.0046553100000000, 0.0050747200000000, 0.0010517600000000 ] - [ -0.0001209300000000, 0.0006337300000000, 0.0007856900000000 ] - [ -0.0044738000000000, -0.0043076000000000, -0.0021574900000000 ] - [ 0.0006339200000000, 0.0013249100000000, -0.0014179100000000 ] - [ 0.0011858000000000, -0.0004833500000000, 0.0000581400000000 ] - [ 0.0001563700000000, -0.0000943000000000, 0.0000089600000000 ]- atom: 1 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.2941302700000000, 0.1585935600000000, -0.0088700100000000 ] - [ 0.0001378300000000, 0.0001735700000000, -0.0002356900000000 ] - [ 0.0015429700000000, 0.0025299600000000, 0.0001887500000000 ] - [ -0.0003267100000000, -0.0003029900000000, -0.0002316300000000 ] - [ 0.0095692500000000, -0.0072890700000000, 0.0002021400000000 ] - [ 0.0000039100000000, 0.0003783000000000, -0.0001960000000000 ] - [ -0.0009053000000000, -0.0004794900000000, -0.0009719600000000 ] - [ -0.0012871400000000, 0.0000345100000000, 0.0017219100000000 ] - [ 0.0024535700000000, 0.0006416800000000, -0.0013206100000000 ] - [ 0.0020010400000000, 0.0008675900000000, 0.0012084100000000 ] - [ 0.0011091100000000, -0.0034752200000000, 0.0010875000000000 ] - [ 0.0011758100000000, -0.0029920800000000, 0.0003335700000000 ] - [ 0.0300748200000000, -0.0293541900000000, 0.0064050600000000 ] - [ 0.0001787700000000, 0.0003042500000000, 0.0000351700000000 ] - [ 0.0043793000000000, -0.0015879300000000, 0.0002006700000000 ] - [ 0.0003217600000000, -0.0003994600000000, -0.0000266700000000 ] - [ 0.0020061900000000, -0.0049138600000000, -0.0003080900000000 ] - [ -0.0001923200000000, -0.0001705900000000, 0.0001266700000000 ] - [ -0.0012852000000000, 0.0010482900000000, -0.0004167900000000 ] - [ -0.0022969900000000, 0.0016117700000000, 0.0002432900000000 ] - [ 0.0012301200000000, 0.0008553200000000, 0.0005179100000000 ] - [ 0.0027149700000000, 0.0013493500000000, -0.0021178000000000 ] - [ 0.0015250200000000, -0.0004723100000000, 0.0015739800000000 ] - [ 0.0008873600000000, -0.0016015700000000, -0.0018800700000000 ] - [ 0.0119301000000000, 0.0079599800000000, 0.0053075300000000 ] - [ 0.0001568900000000, -0.0005509900000000, -0.0003161300000000 ] - [ -0.0004174900000000, -0.0022543300000000, -0.0005030000000000 ] - [ -0.0007635300000000, -0.0000727700000000, 0.0000216000000000 ] - [ 0.0020648100000000, -0.0032042900000000, -0.0009359000000000 ] - [ 0.0006047400000000, 0.0003711000000000, -0.0000460500000000 ] - [ -0.0005958800000000, 0.0005138400000000, -0.0010796800000000 ] - [ -0.0014330700000000, 0.0006484600000000, 0.0010585600000000 ] - [ 0.0011865200000000, 0.0002405300000000, -0.0001102100000000 ] - [ 0.0025439200000000, -0.0002064500000000, 0.0006794500000000 ] - [ -0.0015375200000000, -0.0004161300000000, 0.0021751200000000 ] - [ -0.0016073800000000, -0.0029824700000000, -0.0054598800000000 ] - [ 0.0185226800000000, 0.0012525900000000, -0.0089538800000000 ] - [ -0.0001063300000000, -0.0007768400000000, 0.0006162100000000 ] - [ 0.0004780000000000, -0.0005188000000000, 0.0007193000000000 ] - [ -0.0005958400000000, 0.0003292000000000, 0.0002517300000000 ] - [ 0.0014735000000000, -0.0034112500000000, 0.0009319300000000 ] - [ 0.0008567000000000, 0.0001106400000000, 0.0004416000000000 ] - [ -0.0018349900000000, 0.0007263800000000, -0.0033923400000000 ] - [ -0.0003993800000000, 0.0010957300000000, 0.0000341700000000 ] - [ 0.0031978200000000, -0.0000019200000000, -0.0003379900000000 ] - [ 0.0012988600000000, -0.0005186600000000, -0.0003879000000000 ] - [ -0.0003784600000000, -0.0068937900000000, 0.0108047300000000 ] - [ -0.0007468800000000, -0.0002298500000000, -0.0018303900000000 ] - [ -0.0030410600000000, -0.0013520700000000, 0.0002781000000000 ] - [ -0.0035104000000000, 0.0006738900000000, 0.0000985800000000 ] - [ 0.0005591700000000, -0.0008440600000000, 0.0033026400000000 ] - [ 0.0018261100000000, -0.0012509400000000, -0.0015782600000000 ] - [ -0.0031313900000000, 0.0115907100000000, -0.0001586700000000 ] - [ -0.0001873600000000, 0.0001889400000000, -0.0004168000000000 ] - [ -0.0049464400000000, 0.0021205400000000, -0.0006947900000000 ] - [ -0.0001932700000000, 0.0003440900000000, -0.0002885800000000 ] - [ 0.2188015900000000, -0.1291081400000000, 0.0038041500000000 ] - [ 0.0004257700000000, -0.0002961700000000, -0.0004048600000000 ] - [ -0.0016140500000000, 0.0026857600000000, -0.0051486100000000 ] - [ -0.0020805700000000, 0.0027260200000000, 0.0041833700000000 ] - [ 0.0067587900000000, 0.0040344200000000, -0.0007555300000000 ] - [ 0.0008469900000000, -0.0013210200000000, -0.0013078700000000 ] - [ 0.0025531500000000, 0.0002648400000000, 0.0015660600000000 ] - [ 0.0023220000000000, 0.0001902800000000, 0.0017791700000000 ] - [ -0.0016313200000000, -0.0006828800000000, 0.0015548600000000 ] - [ -0.0016254000000000, -0.0007247000000000, 0.0012728000000000 ] - [ 0.0013471400000000, -0.0015208500000000, 0.0049193100000000 ] - [ 0.0008246800000000, -0.0002812700000000, -0.0009072400000000 ] - [ -0.0078775900000000, -0.0023700900000000, -0.0010201100000000 ] - [ -0.0018401700000000, -0.0000547300000000, -0.0013190100000000 ] - [ -0.0046055000000000, 0.0057556100000000, 0.0043909700000000 ] - [ -0.0003805000000000, 0.0004238800000000, -0.0001607600000000 ] - [ 0.0003281100000000, -0.0054068100000000, -0.0023173700000000 ] - [ 0.0001788800000000, -0.0005743800000000, 0.0004230000000000 ] - [ -0.0003915700000000, 0.0006743000000000, 0.0001913800000000 ] - [ -0.0051574600000000, 0.0038385700000000, -0.0055526400000000 ] - [ 0.0045369900000000, -0.0051073400000000, -0.0002697100000000 ] - [ 0.0001198500000000, -0.0006301600000000, -0.0001196300000000 ] - [ 0.0062463000000000, 0.0073838800000000, -0.0007472700000000 ] - [ 0.0010937000000000, 0.0014963900000000, -0.0014828800000000 ] - [ -0.0011840400000000, 0.0004809800000000, -0.0000628900000000 ] - [ -0.0001568100000000, 0.0000932600000000, -0.0000092100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052332200000000, 0.0053234400000000, -0.0896462700000000 ] - [ 0.0004540800000000, -0.0000760500000000, 0.0010945900000000 ] - [ -0.0007406500000000, -0.0009753000000000, -0.0034779500000000 ] - [ -0.0003304200000000, -0.0003351500000000, 0.0009117400000000 ] - [ -0.0003165900000000, 0.0010295200000000, -0.0034788400000000 ] - [ -0.0001424300000000, 0.0004252500000000, 0.0009115000000000 ] - [ -0.0010872100000000, 0.0011025800000000, 0.0010174500000000 ] - [ 0.0003151500000000, -0.0011953000000000, 0.0005712000000000 ] - [ -0.0005697200000000, 0.0006422500000000, 0.0016149700000000 ] - [ 0.0001917400000000, 0.0001091100000000, 0.0007241600000000 ] - [ 0.0006516300000000, -0.0025036800000000, 0.0016064200000000 ] - [ -0.0003201000000000, 0.0009773600000000, 0.0007270600000000 ] - [ 0.0053482600000000, -0.0053498400000000, -0.0104515400000000 ] - [ 0.0003111300000000, 0.0001059300000000, 0.0012460800000000 ] - [ 0.0002045800000000, -0.0004303200000000, -0.0017144500000000 ] - [ -0.0000801500000000, -0.0003440400000000, 0.0011067000000000 ] - [ -0.0003717300000000, -0.0001249800000000, -0.0012997500000000 ] - [ -0.0002166300000000, 0.0002231300000000, 0.0011272300000000 ] - [ -0.0001384200000000, 0.0007158100000000, 0.0020200200000000 ] - [ 0.0001728700000000, -0.0040767200000000, 0.0058429800000000 ] - [ 0.0004272300000000, 0.0005011400000000, 0.0008807400000000 ] - [ -0.0021837900000000, -0.0008442000000000, 0.0016863700000000 ] - [ 0.0012913700000000, -0.0004445200000000, 0.0015167600000000 ] - [ -0.0000964700000000, 0.0016083800000000, 0.0012559800000000 ] - [ 0.0267685800000000, -0.0007639000000000, -0.0032031700000000 ] - [ 0.0003434200000000, -0.0003942500000000, 0.0018657500000000 ] - [ -0.0008000800000000, 0.0003248000000000, -0.0014789200000000 ] - [ -0.0006619700000000, -0.0001043300000000, 0.0013884900000000 ] - [ 0.0005002500000000, 0.0004207800000000, -0.0013193100000000 ] - [ 0.0003225500000000, 0.0006070600000000, 0.0013395500000000 ] - [ 0.0001663600000000, 0.0015795500000000, 0.0019699800000000 ] - [ -0.0007107000000000, -0.0010613800000000, -0.0004148800000000 ] - [ 0.0007992700000000, -0.0006897100000000, 0.0010387700000000 ] - [ 0.0009270900000000, 0.0003058600000000, 0.0001782800000000 ] - [ -0.0009381600000000, -0.0008408900000000, 0.0023242200000000 ] - [ -0.0001618200000000, 0.0030294000000000, 0.0033116000000000 ] - [ -0.0276482700000000, 0.0075274200000000, 0.0013186200000000 ] - [ -0.0001720400000000, -0.0009730200000000, 0.0023341500000000 ] - [ -0.0010008700000000, -0.0000689900000000, -0.0013824500000000 ] - [ -0.0006339400000000, 0.0006734100000000, 0.0017818800000000 ] - [ 0.0005022200000000, 0.0006883700000000, -0.0014734800000000 ] - [ 0.0009141700000000, 0.0001794700000000, 0.0017663500000000 ] - [ 0.0005553500000000, 0.0045602100000000, 0.0019750200000000 ] - [ -0.0006619300000000, -0.0006743700000000, 0.0016488400000000 ] - [ 0.0020078900000000, -0.0009252800000000, -0.0007471000000000 ] - [ 0.0004126800000000, -0.0000235700000000, 0.0008479400000000 ] - [ 0.0007546000000000, -0.0089432600000000, 0.0075659400000000 ] - [ -0.0006549600000000, -0.0002457400000000, 0.0015383400000000 ] - [ 0.0003232300000000, 0.0009346100000000, -0.0010455100000000 ] - [ 0.0012768700000000, -0.0010422700000000, -0.0011246700000000 ] - [ 0.0009383200000000, -0.0023985700000000, -0.0034144300000000 ] - [ 0.0003391900000000, 0.0063621700000000, -0.0015664700000000 ] - [ 0.0003956700000000, -0.0004189300000000, 0.0022910100000000 ] - [ -0.0000000900000000, 0.0000315800000000, -0.0025430100000000 ] - [ 0.0005368300000000, 0.0005992400000000, 0.0019529000000000 ] - [ -0.0000193000000000, 0.0000621500000000, -0.0025461700000000 ] - [ 0.0077449500000000, -0.0029668200000000, 0.0597065000000000 ] - [ 0.0000126400000000, -0.0002016000000000, -0.0031774600000000 ] - [ -0.0011411800000000, 0.0013694400000000, -0.0043828000000000 ] - [ 0.0014063100000000, -0.0017517400000000, -0.0028480000000000 ] - [ 0.0015590100000000, -0.0010669800000000, 0.0024093900000000 ] - [ 0.0005849500000000, -0.0015657300000000, -0.0035016600000000 ] - [ 0.0013358600000000, -0.0003363100000000, 0.0009686800000000 ] - [ 0.0017501800000000, 0.0001451600000000, 0.0012108200000000 ] - [ -0.0011812500000000, -0.0013050900000000, 0.0011628600000000 ] - [ -0.0004852000000000, -0.0017212700000000, 0.0011887300000000 ] - [ 0.0005030600000000, 0.0031189700000000, -0.0030752700000000 ] - [ -0.0024762900000000, 0.0008547000000000, -0.0022231300000000 ] - [ -0.0021188700000000, 0.0004072600000000, 0.0039276200000000 ] - [ -0.0016616800000000, 0.0002852400000000, -0.0032110300000000 ] - [ 0.0004706200000000, -0.0029881200000000, 0.0021827000000000 ] - [ -0.0000842000000000, 0.0000344700000000, -0.0013089400000000 ] - [ 0.0001335200000000, 0.0003129800000000, 0.0087668700000000 ] - [ 0.0005807200000000, -0.0001964200000000, -0.0026421200000000 ] - [ -0.0000041900000000, -0.0000894400000000, -0.0023543900000000 ] - [ -0.0008644100000000, 0.0010481800000000, 0.0005633600000000 ] - [ -0.0095430400000000, -0.0001337500000000, 0.0147680300000000 ] - [ -0.0003522100000000, 0.0000106300000000, -0.0022187300000000 ] - [ 0.0008209500000000, 0.0014286900000000, 0.0058425100000000 ] - [ 0.0010300300000000, 0.0013134500000000, -0.0035804100000000 ] - [ -0.0004073500000000, -0.0004982400000000, -0.0013921000000000 ] - [ 0.0001261200000000, 0.0001109200000000, 0.0012467800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0084566100000000, -0.0062820900000000, 0.0894781200000000 ] - [ 0.0005001900000000, -0.0000937800000000, -0.0015161000000000 ] - [ 0.0001011900000000, 0.0002123100000000, 0.0030519000000000 ] - [ -0.0002918200000000, -0.0004065100000000, -0.0013325700000000 ] - [ -0.0000410300000000, -0.0000694900000000, 0.0030511400000000 ] - [ -0.0001955200000000, 0.0004930600000000, -0.0013327100000000 ] - [ 0.0001410200000000, -0.0009326800000000, -0.0005894700000000 ] - [ -0.0012560700000000, 0.0013590000000000, -0.0001583900000000 ] - [ 0.0011762900000000, 0.0000948500000000, -0.0011833400000000 ] - [ 0.0004173900000000, 0.0006307500000000, -0.0003135500000000 ] - [ -0.0003210100000000, 0.0016080500000000, -0.0011913700000000 ] - [ 0.0006520700000000, -0.0018763000000000, -0.0003107200000000 ] - [ -0.0050245900000000, 0.0060082900000000, 0.0105778500000000 ] - [ 0.0001180300000000, 0.0004651200000000, -0.0010602900000000 ] - [ 0.0000513600000000, -0.0002246500000000, 0.0019024100000000 ] - [ 0.0003613400000000, -0.0003160800000000, -0.0009190700000000 ] - [ -0.0003439400000000, 0.0002281300000000, 0.0014849500000000 ] - [ -0.0004984800000000, -0.0001374900000000, -0.0009412500000000 ] - [ -0.0002805300000000, -0.0013009600000000, -0.0022145000000000 ] - [ -0.0005833100000000, 0.0034587400000000, -0.0059374500000000 ] - [ -0.0007210900000000, 0.0001542900000000, -0.0010714000000000 ] - [ 0.0018766300000000, 0.0014922600000000, -0.0018551900000000 ] - [ -0.0005806700000000, 0.0003670900000000, -0.0017103100000000 ] - [ 0.0008125400000000, -0.0016718800000000, -0.0014301900000000 ] - [ -0.0261124200000000, -0.0004073100000000, 0.0032110200000000 ] - [ 0.0002139300000000, -0.0008438000000000, -0.0017584800000000 ] - [ -0.0005652700000000, -0.0001937000000000, 0.0015740200000000 ] - [ -0.0006941400000000, 0.0002408900000000, -0.0012862200000000 ] - [ 0.0002953000000000, 0.0006982000000000, 0.0014196000000000 ] - [ 0.0004744300000000, 0.0004949000000000, -0.0012370500000000 ] - [ -0.0007195600000000, -0.0003433700000000, -0.0020715800000000 ] - [ 0.0001604500000000, 0.0022918000000000, 0.0003058200000000 ] - [ 0.0005525200000000, 0.0005518100000000, -0.0011392700000000 ] - [ 0.0004088600000000, -0.0004453300000000, -0.0002852000000000 ] - [ 0.0001483000000000, -0.0002613500000000, -0.0024315000000000 ] - [ -0.0006130300000000, -0.0040933500000000, -0.0033886700000000 ] - [ 0.0278110200000000, -0.0091548100000000, -0.0005256600000000 ] - [ 0.0001040000000000, -0.0006233600000000, -0.0015309800000000 ] - [ -0.0003619000000000, 0.0009274300000000, 0.0021888700000000 ] - [ -0.0007201700000000, 0.0001841500000000, -0.0009814200000000 ] - [ 0.0009148500000000, 0.0000741300000000, 0.0022746500000000 ] - [ 0.0005036100000000, 0.0005657200000000, -0.0009661000000000 ] - [ -0.0004866800000000, -0.0030043400000000, -0.0027896500000000 ] - [ 0.0007279400000000, 0.0022581400000000, -0.0024442400000000 ] - [ -0.0006864200000000, 0.0000661200000000, -0.0000581400000000 ] - [ 0.0009339100000000, -0.0008349000000000, -0.0016502600000000 ] - [ -0.0021869000000000, 0.0083378100000000, -0.0084576100000000 ] - [ -0.0007599600000000, -0.0004965700000000, -0.0023318100000000 ] - [ -0.0002398100000000, -0.0012606800000000, 0.0018667700000000 ] - [ -0.0011784000000000, 0.0006956900000000, 0.0019469600000000 ] - [ -0.0006969100000000, 0.0026423300000000, 0.0042331200000000 ] - [ -0.0000986200000000, -0.0060787500000000, 0.0023881300000000 ] - [ -0.0000632900000000, 0.0002471000000000, -0.0031116400000000 ] - [ 0.0003313700000000, -0.0001517500000000, 0.0017274800000000 ] - [ -0.0005565400000000, -0.0002558400000000, -0.0027757900000000 ] - [ -0.0000349600000000, 0.0002719200000000, 0.0017316900000000 ] - [ -0.0094731300000000, 0.0032942200000000, -0.0606746500000000 ] - [ -0.0002752500000000, -0.0000235300000000, 0.0023618400000000 ] - [ 0.0008037100000000, -0.0012511600000000, 0.0052090600000000 ] - [ -0.0017416400000000, 0.0018520300000000, 0.0036517100000000 ] - [ -0.0000201800000000, -0.0018476400000000, -0.0053130800000000 ] - [ 0.0009886200000000, -0.0013326700000000, 0.0005997300000000 ] - [ 0.0019634400000000, 0.0002500800000000, 0.0019268300000000 ] - [ 0.0015519600000000, -0.0002325800000000, 0.0016935700000000 ] - [ -0.0005408600000000, -0.0015197500000000, 0.0017314900000000 ] - [ -0.0012381900000000, -0.0011010000000000, 0.0017171100000000 ] - [ -0.0020979700000000, -0.0002091300000000, 0.0059530800000000 ] - [ 0.0008767700000000, 0.0020493000000000, 0.0051573200000000 ] - [ -0.0011286600000000, -0.0003030700000000, -0.0068460300000000 ] - [ -0.0016379500000000, -0.0001937500000000, 0.0003091600000000 ] - [ -0.0004473900000000, 0.0029527500000000, -0.0018207100000000 ] - [ 0.0000816900000000, -0.0000395900000000, 0.0017042700000000 ] - [ -0.0005004000000000, -0.0003225300000000, -0.0094533300000000 ] - [ -0.0005747900000000, 0.0001965300000000, 0.0022386000000000 ] - [ 0.0000023100000000, 0.0000849800000000, 0.0016853200000000 ] - [ 0.0008906100000000, -0.0010773500000000, -0.0011887800000000 ] - [ 0.0089672400000000, 0.0001182200000000, -0.0137568100000000 ] - [ 0.0003559500000000, -0.0000097600000000, 0.0028901800000000 ] - [ 0.0008872700000000, 0.0014214000000000, -0.0087382300000000 ] - [ 0.0006973100000000, 0.0015073000000000, 0.0006802400000000 ] - [ 0.0004038000000000, 0.0004908100000000, 0.0014048400000000 ] - [ -0.0001264100000000, -0.0001130700000000, -0.0012481600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047140600000000, -0.0315914100000000, 0.0049577100000000 ] - [ 0.0002604600000000, -0.0001645700000000, -0.0001110500000000 ] - [ 0.0051669300000000, 0.0002378100000000, -0.0003595000000000 ] - [ -0.0000389900000000, -0.0003120900000000, -0.0001223400000000 ] - [ 0.0004674100000000, -0.0010966600000000, -0.0001612200000000 ] - [ -0.0001383200000000, 0.0004000400000000, -0.0000853000000000 ] - [ -0.0024075100000000, 0.0002037400000000, 0.0002805800000000 ] - [ -0.0039988000000000, 0.0004608000000000, 0.0005823900000000 ] - [ 0.0012565200000000, 0.0010535200000000, -0.0006076300000000 ] - [ 0.0019192200000000, 0.0020082700000000, 0.0018595700000000 ] - [ 0.0006061000000000, -0.0020277800000000, -0.0002304100000000 ] - [ 0.0013110500000000, -0.0037992100000000, 0.0022461200000000 ] - [ -0.0963118500000000, -0.0213820400000000, -0.0106921800000000 ] - [ -0.0000171900000000, 0.0001925500000000, 0.0001945700000000 ] - [ 0.0098207300000000, -0.0005637600000000, -0.0010970600000000 ] - [ 0.0002817700000000, -0.0003730200000000, 0.0001664100000000 ] - [ -0.0007335600000000, -0.0055073200000000, -0.0007988800000000 ] - [ -0.0004365500000000, -0.0000416700000000, 0.0001752200000000 ] - [ -0.0010603100000000, -0.0010609100000000, 0.0007765200000000 ] - [ -0.0009099600000000, -0.0011671600000000, -0.0025377000000000 ] - [ 0.0007298000000000, 0.0002277400000000, 0.0000343700000000 ] - [ 0.0014771500000000, 0.0002359100000000, -0.0004021800000000 ] - [ 0.0004502000000000, -0.0003905200000000, 0.0002683000000000 ] - [ 0.0000036200000000, -0.0010869100000000, -0.0004893300000000 ] - [ -0.0042988400000000, 0.0198063400000000, 0.0031937300000000 ] - [ 0.0001532300000000, -0.0006901100000000, -0.0000950100000000 ] - [ 0.0017414400000000, -0.0010963200000000, -0.0000244600000000 ] - [ -0.0005346300000000, 0.0000448800000000, 0.0002245700000000 ] - [ -0.0023131700000000, 0.0022822500000000, -0.0004388000000000 ] - [ 0.0002689300000000, 0.0006168900000000, 0.0002230700000000 ] - [ -0.0004780800000000, 0.0010276900000000, 0.0013784900000000 ] - [ 0.0015109000000000, 0.0018177300000000, -0.0054594900000000 ] - [ 0.0008750500000000, 0.0002615000000000, -0.0001040500000000 ] - [ 0.0015691000000000, 0.0004234700000000, 0.0002628400000000 ] - [ -0.0004967100000000, -0.0006970000000000, 0.0003392700000000 ] - [ -0.0008536400000000, -0.0012243700000000, -0.0005660000000000 ] - [ -0.0077408500000000, 0.0151214600000000, -0.0156303900000000 ] - [ -0.0003219500000000, -0.0008328400000000, 0.0007403300000000 ] - [ 0.0014871500000000, -0.0002914500000000, -0.0003070500000000 ] - [ -0.0003904400000000, 0.0004524100000000, 0.0006144300000000 ] - [ -0.0014775700000000, -0.0000284800000000, 0.0004149200000000 ] - [ 0.0005492800000000, 0.0003237500000000, 0.0005403700000000 ] - [ 0.0011509500000000, 0.0007706900000000, 0.0051600000000000 ] - [ -0.0002444200000000, 0.0008260100000000, -0.0018061000000000 ] - [ 0.0014780900000000, -0.0001012100000000, -0.0007212100000000 ] - [ 0.0012776800000000, -0.0001019600000000, 0.0000627100000000 ] - [ -0.0005930700000000, -0.0016387800000000, 0.0010973500000000 ] - [ -0.0006074000000000, -0.0012517700000000, -0.0000802200000000 ] - [ -0.0015430100000000, -0.0008267700000000, 0.0007499200000000 ] - [ -0.0028817700000000, -0.0010154300000000, -0.0001261500000000 ] - [ 0.0036396700000000, 0.0001734900000000, -0.0040204900000000 ] - [ 0.0039067700000000, 0.0000047500000000, 0.0058734100000000 ] - [ 0.0055070800000000, 0.0030613500000000, -0.0004041000000000 ] - [ 0.0003536300000000, 0.0000133700000000, -0.0006962000000000 ] - [ -0.0088140200000000, 0.0025535800000000, 0.0009385100000000 ] - [ -0.0004125300000000, 0.0001180900000000, -0.0007347600000000 ] - [ 0.0627575000000000, 0.0100293600000000, -0.0012441700000000 ] - [ 0.0003337100000000, 0.0000463000000000, -0.0006229400000000 ] - [ -0.0004388900000000, 0.0015795200000000, -0.0007213500000000 ] - [ -0.0002496700000000, 0.0032258400000000, 0.0007749400000000 ] - [ 0.0167958900000000, 0.0039964100000000, -0.0006477600000000 ] - [ 0.0008698000000000, -0.0016217400000000, -0.0015255800000000 ] - [ 0.0004813400000000, -0.0001204700000000, 0.0013473200000000 ] - [ -0.0002634800000000, -0.0002546600000000, 0.0017890500000000 ] - [ -0.0005484700000000, -0.0016438700000000, 0.0012410900000000 ] - [ -0.0003947200000000, -0.0020728300000000, 0.0018492600000000 ] - [ -0.0000515500000000, 0.0004468300000000, 0.0029090300000000 ] - [ 0.0005810100000000, 0.0014331900000000, -0.0006482700000000 ] - [ -0.0043827700000000, -0.0025523200000000, -0.0000839700000000 ] - [ -0.0016423500000000, -0.0000778300000000, -0.0016424000000000 ] - [ 0.0004543900000000, 0.0039930700000000, 0.0061150400000000 ] - [ 0.0004654900000000, 0.0000518000000000, -0.0007703100000000 ] - [ -0.0031088600000000, 0.0007375700000000, -0.0027816700000000 ] - [ -0.0004777500000000, 0.0004714100000000, 0.0000640100000000 ] - [ 0.0002424900000000, 0.0001510800000000, -0.0000412400000000 ] - [ 0.0157464100000000, -0.0022363000000000, 0.0071790600000000 ] - [ -0.0044363600000000, 0.0016216100000000, 0.0036536000000000 ] - [ -0.0001914600000000, 0.0001577200000000, -0.0000227100000000 ] - [ 0.0018775700000000, 0.0040954900000000, -0.0001797500000000 ] - [ 0.0007879500000000, 0.0014356500000000, -0.0016917100000000 ] - [ 0.0008008400000000, 0.0024393100000000, 0.0012420200000000 ] - [ 0.0001131100000000, 0.0003093200000000, 0.0000129800000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037581100000000, 0.0316840000000000, -0.0054207100000000 ] - [ 0.0006883000000000, -0.0000044100000000, -0.0003103900000000 ] - [ -0.0057767300000000, -0.0009601900000000, -0.0000725200000000 ] - [ -0.0005793500000000, -0.0004227200000000, -0.0002984900000000 ] - [ -0.0007975200000000, 0.0019916000000000, -0.0002687000000000 ] - [ -0.0001963900000000, 0.0005110100000000, -0.0003356500000000 ] - [ 0.0014611000000000, -0.0000271800000000, 0.0001442200000000 ] - [ 0.0030442300000000, -0.0002751400000000, -0.0001677300000000 ] - [ -0.0006473500000000, -0.0003084800000000, 0.0010373400000000 ] - [ -0.0012978800000000, -0.0012501200000000, -0.0014294300000000 ] - [ -0.0002699800000000, 0.0011055800000000, 0.0006497200000000 ] - [ -0.0009624900000000, 0.0028487800000000, -0.0018007300000000 ] - [ 0.0973510600000000, 0.0241849200000000, 0.0102373300000000 ] - [ 0.0004464600000000, 0.0003800800000000, -0.0000091600000000 ] - [ -0.0094290000000000, -0.0000737500000000, 0.0012684100000000 ] - [ 0.0000008800000000, -0.0002890300000000, 0.0000201900000000 ] - [ 0.0000211800000000, 0.0055523100000000, 0.0009690700000000 ] - [ -0.0002813700000000, 0.0001261300000000, 0.0000102000000000 ] - [ 0.0006388300000000, 0.0004925100000000, -0.0009580000000000 ] - [ 0.0004952200000000, 0.0006111600000000, 0.0023506900000000 ] - [ -0.0010180500000000, 0.0004371900000000, -0.0002179500000000 ] - [ -0.0017590900000000, 0.0004330500000000, 0.0002198100000000 ] - [ 0.0002662000000000, 0.0003033400000000, -0.0004507500000000 ] - [ 0.0007150500000000, 0.0009957400000000, 0.0003050300000000 ] - [ 0.0047148900000000, -0.0210771600000000, -0.0030623600000000 ] - [ 0.0003974800000000, -0.0005531900000000, 0.0001973100000000 ] - [ -0.0031030200000000, 0.0012331000000000, 0.0001136500000000 ] - [ -0.0008251800000000, 0.0000995600000000, -0.0001293100000000 ] - [ 0.0031303300000000, -0.0012180600000000, 0.0005332100000000 ] - [ 0.0005344800000000, 0.0004832300000000, -0.0001261700000000 ] - [ -0.0000690900000000, 0.0002191600000000, -0.0014762800000000 ] - [ -0.0020767600000000, -0.0005792100000000, 0.0054257800000000 ] - [ 0.0004827700000000, -0.0004111900000000, 0.0000149300000000 ] - [ -0.0002209100000000, -0.0005681300000000, -0.0003608100000000 ] - [ -0.0003066600000000, -0.0004075000000000, -0.0004289300000000 ] - [ 0.0000610300000000, 0.0001089100000000, 0.0004601200000000 ] - [ 0.0075072000000000, -0.0168300100000000, 0.0164720600000000 ] - [ 0.0002494500000000, -0.0007611600000000, 0.0000592900000000 ] - [ -0.0028371300000000, 0.0011401800000000, 0.0010870900000000 ] - [ -0.0009627600000000, 0.0004060900000000, 0.0001851200000000 ] - [ 0.0028927000000000, 0.0007729400000000, 0.0003612800000000 ] - [ 0.0008685600000000, 0.0004193800000000, 0.0002583000000000 ] - [ -0.0010842500000000, 0.0008323700000000, -0.0060019200000000 ] - [ 0.0003151300000000, 0.0007787500000000, 0.0010165900000000 ] - [ -0.0001325700000000, -0.0007577600000000, -0.0000739000000000 ] - [ 0.0000761700000000, -0.0007521000000000, -0.0008557900000000 ] - [ -0.0008208400000000, 0.0008827400000000, -0.0018813900000000 ] - [ -0.0008069600000000, 0.0004983500000000, -0.0007097000000000 ] - [ 0.0016138300000000, 0.0004955100000000, 0.0000564200000000 ] - [ 0.0029403000000000, 0.0006605200000000, 0.0009484900000000 ] - [ -0.0034101500000000, 0.0000363000000000, 0.0048451400000000 ] - [ -0.0036864900000000, 0.0001827200000000, -0.0050735400000000 ] - [ -0.0051800300000000, -0.0031378800000000, -0.0003857500000000 ] - [ -0.0000244400000000, -0.0001300800000000, -0.0001200400000000 ] - [ 0.0087439600000000, -0.0021952900000000, -0.0017298100000000 ] - [ 0.0003532100000000, 0.0002120300000000, -0.0000840600000000 ] - [ -0.0631974400000000, -0.0115662200000000, 0.0007142700000000 ] - [ -0.0005926200000000, -0.0002735800000000, -0.0001944000000000 ] - [ 0.0001018500000000, -0.0014491200000000, 0.0015288100000000 ] - [ -0.0000953000000000, -0.0030741600000000, 0.0000463900000000 ] - [ -0.0160316700000000, -0.0075495000000000, -0.0024066500000000 ] - [ 0.0007026800000000, -0.0012770900000000, -0.0013787200000000 ] - [ 0.0028169900000000, 0.0000314600000000, 0.0015609900000000 ] - [ 0.0035627200000000, 0.0001672400000000, 0.0011029900000000 ] - [ -0.0011793900000000, -0.0011743200000000, 0.0016637700000000 ] - [ -0.0013312600000000, -0.0007404200000000, 0.0010463100000000 ] - [ -0.0015311900000000, 0.0024761200000000, -0.0000593700000000 ] - [ -0.0021587800000000, 0.0014718200000000, 0.0035960100000000 ] - [ 0.0011461500000000, 0.0026447500000000, -0.0028212400000000 ] - [ -0.0016562500000000, 0.0001690500000000, -0.0012648700000000 ] - [ -0.0003321500000000, -0.0040662400000000, -0.0058130100000000 ] - [ -0.0004638800000000, -0.0000575600000000, 0.0011524000000000 ] - [ 0.0030890200000000, -0.0007468000000000, 0.0023828600000000 ] - [ 0.0004765300000000, -0.0004690600000000, -0.0004571600000000 ] - [ -0.0002442400000000, -0.0001561700000000, -0.0006277800000000 ] - [ -0.0152332000000000, 0.0019413300000000, -0.0072798100000000 ] - [ 0.0044231000000000, -0.0016421900000000, -0.0029791500000000 ] - [ 0.0001915200000000, -0.0001570500000000, 0.0006849200000000 ] - [ -0.0001617800000000, -0.0012271100000000, -0.0027204500000000 ] - [ 0.0009385000000000, 0.0013869600000000, -0.0012143500000000 ] - [ -0.0008145300000000, -0.0024785500000000, -0.0012569500000000 ] - [ -0.0001148200000000, -0.0003131000000000, -0.0000126100000000 ]- atom: 13 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.0163580300000000, 0.0370724000000000, -0.0078387000000000 ] - [ 0.0004611800000000, -0.0001413600000000, -0.0004105800000000 ] - [ -0.0034202400000000, -0.0023133700000000, -0.0000507300000000 ] - [ -0.0004168400000000, -0.0004843800000000, -0.0004347700000000 ] - [ -0.0026235400000000, 0.0067636900000000, -0.0001345900000000 ] - [ -0.0002610100000000, 0.0007288000000000, -0.0004282600000000 ] - [ 0.0007811200000000, -0.0011260800000000, 0.0010500200000000 ] - [ 0.0023699600000000, -0.0013353300000000, -0.0032550200000000 ] - [ 0.0005310000000000, -0.0009509200000000, 0.0000922100000000 ] - [ -0.0007621300000000, -0.0025319000000000, -0.0009778600000000 ] - [ -0.0007856500000000, 0.0016684600000000, 0.0007794000000000 ] - [ -0.0016674800000000, 0.0038914700000000, -0.0018160600000000 ] - [ 0.0277950500000000, -0.3194431700000000, 0.0769367600000000 ] - [ 0.0002418600000000, -0.0000081600000000, -0.0000489200000000 ] - [ -0.0054316100000000, -0.0028442900000000, 0.0014364800000000 ] - [ 0.0001137000000000, -0.0004358100000000, -0.0001286000000000 ] - [ -0.0043758700000000, 0.0087696900000000, 0.0009281100000000 ] - [ -0.0004664900000000, 0.0001347000000000, -0.0001247500000000 ] - [ -0.0004542800000000, -0.0012559700000000, -0.0009038000000000 ] - [ -0.0006211300000000, -0.0024320100000000, 0.0026398900000000 ] - [ -0.0003418800000000, 0.0001429400000000, -0.0003632700000000 ] - [ -0.0011106400000000, -0.0003662100000000, 0.0004317500000000 ] - [ -0.0003261200000000, 0.0005803500000000, -0.0004442200000000 ] - [ -0.0002978500000000, 0.0014553900000000, 0.0002158100000000 ] - [ 0.0140636500000000, 0.0162662000000000, 0.0036142400000000 ] - [ 0.0002715800000000, -0.0008096600000000, -0.0005353000000000 ] - [ -0.0016499700000000, 0.0008597800000000, 0.0004897300000000 ] - [ -0.0007573600000000, 0.0001405700000000, -0.0001933200000000 ] - [ 0.0022436800000000, 0.0089407800000000, -0.0004594100000000 ] - [ 0.0004684700000000, 0.0005821600000000, -0.0000671300000000 ] - [ -0.0000402500000000, 0.0003263000000000, -0.0004839500000000 ] - [ 0.0007852000000000, -0.0010719800000000, -0.0005440600000000 ] - [ 0.0006812300000000, 0.0000769500000000, -0.0002464000000000 ] - [ 0.0016480700000000, -0.0002018500000000, 0.0008803500000000 ] - [ -0.0008283400000000, 0.0001293000000000, -0.0007595300000000 ] - [ -0.0020459400000000, 0.0017140100000000, 0.0021671100000000 ] - [ 0.0124577100000000, 0.0051627200000000, -0.0127227800000000 ] - [ 0.0001657900000000, -0.0012653000000000, 0.0004522400000000 ] - [ -0.0025692800000000, 0.0007475500000000, 0.0008815600000000 ] - [ -0.0009094200000000, 0.0003277400000000, -0.0000523400000000 ] - [ 0.0010555600000000, 0.0072928400000000, 0.0039725800000000 ] - [ 0.0007104800000000, 0.0006258200000000, -0.0002437500000000 ] - [ 0.0003552000000000, -0.0008952700000000, -0.0009055200000000 ] - [ 0.0006172000000000, -0.0001990500000000, -0.0005894700000000 ] - [ 0.0007190600000000, -0.0003082400000000, -0.0008192500000000 ] - [ 0.0002731300000000, -0.0007197500000000, -0.0004735100000000 ] - [ -0.0016086400000000, 0.0021877700000000, -0.0028602000000000 ] - [ -0.0012906500000000, 0.0006168500000000, -0.0003206300000000 ] - [ 0.0001859900000000, -0.0000620900000000, 0.0010729100000000 ] - [ 0.0018351200000000, 0.0015547100000000, -0.0004179900000000 ] - [ -0.0014843000000000, 0.0022095500000000, 0.0011613700000000 ] - [ -0.0034834700000000, 0.0060558500000000, 0.0005498800000000 ] - [ 0.0007554100000000, -0.0124743700000000, -0.0015040900000000 ] - [ 0.0003069100000000, -0.0004359100000000, 0.0002092600000000 ] - [ 0.0047602100000000, -0.0003080000000000, -0.0014818900000000 ] - [ 0.0001431900000000, 0.0002909200000000, 0.0001572400000000 ] - [ -0.0228559400000000, 0.2396988700000000, -0.0457984400000000 ] - [ 0.0000467600000000, 0.0003018700000000, -0.0000111500000000 ] - [ 0.0013671400000000, -0.0023625200000000, 0.0020550300000000 ] - [ 0.0022905500000000, -0.0042075500000000, -0.0009964900000000 ] - [ -0.0043755700000000, 0.0019426300000000, -0.0030869000000000 ] - [ 0.0006440800000000, -0.0014313900000000, -0.0011149100000000 ] - [ 0.0022283200000000, -0.0001674000000000, 0.0012902300000000 ] - [ 0.0021470600000000, -0.0003224100000000, 0.0018178100000000 ] - [ -0.0017793900000000, -0.0022309100000000, -0.0001174700000000 ] - [ -0.0015540400000000, -0.0027640900000000, 0.0032894000000000 ] - [ -0.0006840700000000, 0.0002060500000000, 0.0052382100000000 ] - [ -0.0011597500000000, 0.0016281400000000, -0.0031874700000000 ] - [ -0.0074873900000000, -0.0005711900000000, -0.0010471300000000 ] - [ -0.0018183000000000, 0.0000554900000000, -0.0011511100000000 ] - [ 0.0037879400000000, 0.0039867600000000, -0.0083580900000000 ] - [ 0.0001988200000000, 0.0003166200000000, 0.0016607600000000 ] - [ 0.0052852900000000, 0.0002031000000000, 0.0035692900000000 ] - [ 0.0003545700000000, -0.0001022400000000, -0.0003855800000000 ] - [ 0.0000640600000000, 0.0003296200000000, -0.0004669900000000 ] - [ -0.0085873000000000, 0.0064701600000000, -0.0036252700000000 ] - [ 0.0063647600000000, -0.0002414900000000, -0.0044062900000000 ] - [ 0.0002135300000000, -0.0000807600000000, 0.0008632300000000 ] - [ 0.0026357100000000, -0.0067920400000000, -0.0020324300000000 ] - [ 0.0009855600000000, 0.0012209100000000, -0.0010990300000000 ] - [ 0.0010280400000000, 0.0017346800000000, -0.0000367000000000 ] - [ 0.0002512700000000, 0.0002832300000000, 0.0000592600000000 ]- atom: 13 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.0168466500000000, -0.0363429500000000, 0.0071784700000000 ] - [ 0.0004963000000000, -0.0000310300000000, -0.0000151000000000 ] - [ 0.0027991400000000, 0.0015569800000000, -0.0003773300000000 ] - [ -0.0002056800000000, -0.0002584900000000, 0.0000093500000000 ] - [ 0.0022621400000000, -0.0058373300000000, -0.0002958100000000 ] - [ -0.0000765700000000, 0.0001942900000000, 0.0000032700000000 ] - [ -0.0017500100000000, 0.0013048700000000, -0.0006159400000000 ] - [ -0.0033451800000000, 0.0015275700000000, 0.0036572300000000 ] - [ 0.0000913500000000, 0.0016999200000000, 0.0003322900000000 ] - [ 0.0013915400000000, 0.0032923000000000, 0.0014158400000000 ] - [ 0.0011213900000000, -0.0025856300000000, -0.0003613200000000 ] - [ 0.0020066900000000, -0.0048200400000000, 0.0022508600000000 ] - [ -0.0295016000000000, 0.3061861900000000, -0.0734766300000000 ] - [ 0.0001832000000000, 0.0005746700000000, 0.0002321400000000 ] - [ 0.0057191100000000, 0.0022030000000000, -0.0012591300000000 ] - [ 0.0001644900000000, -0.0002196900000000, 0.0003135600000000 ] - [ 0.0037106400000000, -0.0087765100000000, -0.0007444200000000 ] - [ -0.0002469100000000, -0.0000498700000000, 0.0003071200000000 ] - [ 0.0000311700000000, 0.0006776000000000, 0.0007271500000000 ] - [ 0.0002046700000000, 0.0018430000000000, -0.0028240100000000 ] - [ 0.0000601200000000, 0.0005112900000000, 0.0001781900000000 ] - [ 0.0008323900000000, 0.0010168500000000, -0.0006078700000000 ] - [ 0.0010316600000000, -0.0006656300000000, 0.0002540200000000 ] - [ 0.0010071700000000, -0.0015396300000000, -0.0003900800000000 ] - [ -0.0132851600000000, -0.0173743600000000, -0.0034736300000000 ] - [ 0.0002847900000000, -0.0004213300000000, 0.0006413900000000 ] - [ 0.0003086300000000, -0.0007203300000000, -0.0003912700000000 ] - [ -0.0005927500000000, -0.0000075600000000, 0.0002944600000000 ] - [ -0.0015071900000000, -0.0079185200000000, 0.0005785800000000 ] - [ 0.0003212400000000, 0.0005192500000000, 0.0001681200000000 ] - [ -0.0005136400000000, 0.0009115000000000, 0.0003952800000000 ] - [ -0.0013127500000000, 0.0023174700000000, 0.0004039400000000 ] - [ 0.0006677900000000, -0.0002112400000000, 0.0001477400000000 ] - [ -0.0002963400000000, 0.0000667200000000, -0.0009730800000000 ] - [ 0.0000467000000000, -0.0012314000000000, 0.0006494000000000 ] - [ 0.0012640500000000, -0.0028125700000000, -0.0022556600000000 ] - [ -0.0124347800000000, -0.0069272200000000, 0.0135664400000000 ] - [ -0.0002415800000000, -0.0003283100000000, 0.0003533500000000 ] - [ 0.0012282900000000, 0.0001147600000000, -0.0000853300000000 ] - [ -0.0004370700000000, 0.0005325500000000, 0.0008534800000000 ] - [ 0.0003443500000000, -0.0065887900000000, -0.0032241800000000 ] - [ 0.0007063200000000, 0.0001152100000000, 0.0010447900000000 ] - [ -0.0002583100000000, 0.0024754500000000, 0.0001343600000000 ] - [ -0.0005412700000000, 0.0017878300000000, -0.0002242200000000 ] - [ 0.0006190600000000, -0.0005551200000000, 0.0000106900000000 ] - [ 0.0010761600000000, -0.0001399000000000, -0.0003220800000000 ] - [ 0.0001970600000000, -0.0029179200000000, 0.0020377600000000 ] - [ -0.0001247800000000, -0.0013607700000000, -0.0004676400000000 ] - [ -0.0001217400000000, -0.0002693000000000, -0.0002521700000000 ] - [ -0.0017839300000000, -0.0018946800000000, 0.0012303900000000 ] - [ 0.0017479200000000, -0.0019825700000000, -0.0003816800000000 ] - [ 0.0037233500000000, -0.0058121000000000, 0.0003311700000000 ] - [ -0.0003753100000000, 0.0123630100000000, 0.0006968400000000 ] - [ 0.0000247400000000, 0.0003178000000000, -0.0010238400000000 ] - [ -0.0048313200000000, 0.0006337400000000, 0.0006681200000000 ] - [ -0.0002030500000000, 0.0000405100000000, -0.0009735600000000 ] - [ 0.0241724500000000, -0.2266627800000000, 0.0415460800000000 ] - [ -0.0003021400000000, -0.0005250600000000, -0.0008073700000000 ] - [ -0.0017005900000000, 0.0024803500000000, -0.0012205500000000 ] - [ -0.0026204100000000, 0.0043326600000000, 0.0017934800000000 ] - [ 0.0060042500000000, -0.0048478100000000, 0.0001912700000000 ] - [ 0.0009251900000000, -0.0014700500000000, -0.0017891200000000 ] - [ 0.0010577200000000, 0.0000730100000000, 0.0016128200000000 ] - [ 0.0011334900000000, 0.0002265100000000, 0.0010863300000000 ] - [ 0.0000581700000000, -0.0005896000000000, 0.0030259400000000 ] - [ -0.0001701400000000, -0.0000627800000000, -0.0003921300000000 ] - [ -0.0008950200000000, 0.0027042700000000, -0.0023591200000000 ] - [ -0.0004068000000000, 0.0012855900000000, 0.0060926800000000 ] - [ 0.0042087700000000, 0.0006712200000000, -0.0018450200000000 ] - [ -0.0014788100000000, 0.0000397600000000, -0.0017570400000000 ] - [ -0.0036664800000000, -0.0040755000000000, 0.0086544500000000 ] - [ -0.0001920200000000, -0.0003193700000000, -0.0012763900000000 ] - [ -0.0052572700000000, -0.0001735500000000, -0.0039186700000000 ] - [ -0.0003575600000000, 0.0001108300000000, -0.0000065800000000 ] - [ -0.0000623600000000, -0.0003334200000000, -0.0001927000000000 ] - [ 0.0090380500000000, -0.0065741600000000, 0.0033760400000000 ] - [ -0.0063360600000000, 0.0002734900000000, 0.0050225700000000 ] - [ -0.0002140000000000, 0.0000861100000000, -0.0002018800000000 ] - [ -0.0009416100000000, 0.0095810500000000, -0.0008659100000000 ] - [ 0.0007435700000000, 0.0015983200000000, -0.0018065800000000 ] - [ -0.0010232400000000, -0.0017316000000000, 0.0000462600000000 ] - [ -0.0002504600000000, -0.0002809900000000, -0.0000586800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0027527200000000, -0.0060271300000000, -0.0106842900000000 ] - [ 0.0004651500000000, -0.0000190900000000, 0.0009453800000000 ] - [ 0.0000943000000000, -0.0003695900000000, -0.0015997900000000 ] - [ -0.0003411200000000, -0.0003045400000000, 0.0008272100000000 ] - [ 0.0001692700000000, 0.0003834200000000, -0.0020169600000000 ] - [ -0.0001393300000000, 0.0002972800000000, 0.0008056500000000 ] - [ 0.0000383800000000, 0.0007640500000000, 0.0023234800000000 ] - [ -0.0023601700000000, -0.0014222600000000, 0.0061458600000000 ] - [ -0.0013572300000000, -0.0000658800000000, 0.0018224300000000 ] - [ 0.0021011600000000, 0.0022003100000000, 0.0015537700000000 ] - [ -0.0002875100000000, 0.0005096000000000, 0.0011840300000000 ] - [ 0.0013186100000000, -0.0034713500000000, 0.0019867400000000 ] - [ -0.0107262700000000, 0.0811143900000000, -0.0979779200000000 ] - [ 0.0003183400000000, 0.0001916500000000, 0.0013997800000000 ] - [ 0.0009745400000000, 0.0002087600000000, -0.0031924500000000 ] - [ -0.0000660800000000, -0.0003084500000000, 0.0011621700000000 ] - [ -0.0005300000000000, -0.0014271100000000, -0.0031949000000000 ] - [ -0.0002185800000000, 0.0002091100000000, 0.0011625300000000 ] - [ 0.0006494100000000, -0.0007343200000000, 0.0014598500000000 ] - [ -0.0026746000000000, 0.0014667900000000, 0.0021901700000000 ] - [ -0.0004957900000000, 0.0001234600000000, 0.0004330700000000 ] - [ 0.0001569800000000, 0.0006224400000000, -0.0004149200000000 ] - [ 0.0005108000000000, 0.0001880600000000, 0.0004346000000000 ] - [ 0.0001578000000000, -0.0005228500000000, -0.0004148300000000 ] - [ 0.0069170100000000, 0.0188383500000000, -0.0091374400000000 ] - [ 0.0004228600000000, -0.0003248500000000, 0.0021308500000000 ] - [ -0.0004088900000000, 0.0003105000000000, -0.0019417100000000 ] - [ -0.0006169900000000, -0.0001007900000000, 0.0013747800000000 ] - [ 0.0003087400000000, -0.0021365700000000, -0.0030139900000000 ] - [ 0.0001888400000000, 0.0006563400000000, 0.0015432500000000 ] - [ 0.0004054800000000, 0.0013439700000000, 0.0021054300000000 ] - [ -0.0038693300000000, -0.0010845100000000, 0.0009574200000000 ] - [ 0.0004676800000000, -0.0006537500000000, 0.0010013500000000 ] - [ 0.0012148400000000, 0.0002926500000000, -0.0006343500000000 ] - [ -0.0003015000000000, -0.0007558400000000, 0.0010081600000000 ] - [ -0.0004603600000000, -0.0006441100000000, -0.0009230100000000 ] - [ -0.0145476000000000, -0.0368331900000000, 0.0191118900000000 ] - [ -0.0002324500000000, -0.0006350700000000, 0.0023586900000000 ] - [ -0.0014728700000000, 0.0000001600000000, -0.0015697200000000 ] - [ -0.0004595800000000, 0.0006930600000000, 0.0017814100000000 ] - [ -0.0000486100000000, 0.0047218200000000, -0.0016455500000000 ] - [ 0.0009149400000000, -0.0002629400000000, 0.0021092700000000 ] - [ 0.0028262000000000, 0.0009230000000000, 0.0025994300000000 ] - [ -0.0013728800000000, 0.0006966000000000, 0.0017429200000000 ] - [ 0.0001077400000000, -0.0007106900000000, -0.0007184900000000 ] - [ 0.0010102700000000, 0.0000512500000000, 0.0004529000000000 ] - [ -0.0003674700000000, -0.0007746500000000, -0.0005907100000000 ] - [ -0.0005179200000000, -0.0007805300000000, 0.0004597000000000 ] - [ 0.0019919600000000, 0.0012946400000000, -0.0005338400000000 ] - [ -0.0020068400000000, -0.0018249300000000, 0.0002134800000000 ] - [ -0.0009808700000000, -0.0001818700000000, -0.0043093400000000 ] - [ 0.0062992900000000, -0.0000301500000000, -0.0047506100000000 ] - [ 0.0004415900000000, 0.0002178300000000, 0.0067632200000000 ] - [ 0.0000832800000000, 0.0001422400000000, -0.0027584400000000 ] - [ -0.0006045100000000, 0.0004129600000000, 0.0029656100000000 ] - [ -0.0000177800000000, 0.0000654400000000, -0.0025223000000000 ] - [ -0.0011924300000000, -0.0521859100000000, 0.0730863700000000 ] - [ -0.0001286600000000, -0.0003669100000000, -0.0033079700000000 ] - [ -0.0002016100000000, -0.0006561500000000, -0.0002955500000000 ] - [ -0.0005766200000000, 0.0024974200000000, 0.0007410300000000 ] - [ 0.0037290300000000, -0.0001116100000000, 0.0061865100000000 ] - [ 0.0007005900000000, -0.0014490500000000, -0.0037011300000000 ] - [ 0.0011153800000000, -0.0003276000000000, 0.0005815700000000 ] - [ 0.0020496100000000, 0.0002613700000000, 0.0012788300000000 ] - [ -0.0009399500000000, -0.0020533200000000, 0.0002724800000000 ] - [ -0.0006162300000000, -0.0000266400000000, 0.0011815000000000 ] - [ -0.0016060800000000, 0.0038121400000000, -0.0040012800000000 ] - [ -0.0012530000000000, -0.0005666300000000, -0.0008118200000000 ] - [ -0.0012336800000000, 0.0006797800000000, 0.0033903700000000 ] - [ -0.0016494500000000, 0.0002178800000000, -0.0031280400000000 ] - [ 0.0059153500000000, -0.0055126400000000, 0.0005227700000000 ] - [ -0.0008290000000000, -0.0000098000000000, -0.0024496700000000 ] - [ -0.0013099600000000, 0.0008644300000000, 0.0004197800000000 ] - [ 0.0005869400000000, -0.0004455800000000, -0.0017251900000000 ] - [ 0.0002952200000000, -0.0002831200000000, -0.0028417500000000 ] - [ 0.0090543600000000, -0.0021563700000000, 0.0129012100000000 ] - [ 0.0006996900000000, -0.0011952300000000, 0.0034017500000000 ] - [ -0.0002718200000000, 0.0002127000000000, -0.0015773600000000 ] - [ 0.0011458900000000, 0.0020852000000000, 0.0011486600000000 ] - [ 0.0009712800000000, 0.0013901200000000, -0.0031441400000000 ] - [ -0.0002504600000000, -0.0011631900000000, -0.0011465800000000 ] - [ -0.0000294500000000, -0.0000444300000000, 0.0010467100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017696900000000, 0.0057223600000000, 0.0103430500000000 ] - [ 0.0004727500000000, -0.0001454000000000, -0.0013619400000000 ] - [ -0.0007006200000000, -0.0003521300000000, 0.0011812900000000 ] - [ -0.0002720100000000, -0.0004260600000000, -0.0012430800000000 ] - [ -0.0004885500000000, 0.0005045600000000, 0.0015968000000000 ] - [ -0.0001925100000000, 0.0006015000000000, -0.0012212700000000 ] - [ -0.0009867100000000, -0.0005946600000000, -0.0019095700000000 ] - [ 0.0013965000000000, 0.0015600100000000, -0.0056324800000000 ] - [ 0.0019737300000000, 0.0008033200000000, -0.0014026300000000 ] - [ -0.0014778800000000, -0.0014483700000000, -0.0011303200000000 ] - [ 0.0006243200000000, -0.0014266400000000, -0.0007654300000000 ] - [ -0.0009748000000000, 0.0025377900000000, -0.0015525500000000 ] - [ 0.0101952000000000, -0.0804095100000000, 0.0973601100000000 ] - [ 0.0001142600000000, 0.0003958500000000, -0.0012128800000000 ] - [ -0.0006980400000000, -0.0008660300000000, 0.0033680700000000 ] - [ 0.0003630300000000, -0.0003646900000000, -0.0009763800000000 ] - [ -0.0001968200000000, 0.0014953900000000, 0.0033663200000000 ] - [ -0.0005090200000000, -0.0001293300000000, -0.0009753100000000 ] - [ -0.0010839600000000, 0.0001514200000000, -0.0016389800000000 ] - [ 0.0022147600000000, -0.0020176200000000, -0.0023508200000000 ] - [ 0.0002046300000000, 0.0005492300000000, -0.0006132800000000 ] - [ -0.0004449600000000, 0.0000526400000000, 0.0002246400000000 ] - [ 0.0002179200000000, -0.0002721300000000, -0.0006123200000000 ] - [ 0.0005736700000000, 0.0004354700000000, 0.0002248900000000 ] - [ -0.0063680400000000, -0.0201346300000000, 0.0091627700000000 ] - [ 0.0001226000000000, -0.0009285100000000, -0.0020363800000000 ] - [ -0.0009534400000000, -0.0001515600000000, 0.0020176900000000 ] - [ -0.0007467500000000, 0.0002528600000000, -0.0012819900000000 ] - [ 0.0005050900000000, 0.0032083800000000, 0.0030938200000000 ] - [ 0.0006276900000000, 0.0004421600000000, -0.0014498600000000 ] - [ -0.0009521100000000, -0.0000889400000000, -0.0021940800000000 ] - [ 0.0032947900000000, 0.0023308900000000, -0.0010382700000000 ] - [ 0.0008985100000000, 0.0004976100000000, -0.0010834600000000 ] - [ 0.0001440000000000, -0.0004482700000000, 0.0005383600000000 ] - [ -0.0005178400000000, -0.0003448200000000, -0.0010869400000000 ] - [ -0.0003436200000000, -0.0004684200000000, 0.0008136900000000 ] - [ 0.0147902800000000, 0.0357694900000000, -0.0185885000000000 ] - [ 0.0001707000000000, -0.0009581900000000, -0.0015679000000000 ] - [ 0.0001233900000000, 0.0008516200000000, 0.0023617000000000 ] - [ -0.0008962400000000, 0.0001576300000000, -0.0009933200000000 ] - [ 0.0014590600000000, -0.0039854900000000, 0.0024288600000000 ] - [ 0.0005010700000000, 0.0010084800000000, -0.0013163300000000 ] - [ -0.0027973200000000, 0.0006769600000000, -0.0034068000000000 ] - [ 0.0014227400000000, 0.0009037000000000, -0.0025251500000000 ] - [ 0.0012537900000000, -0.0001385400000000, -0.0000608000000000 ] - [ 0.0003501800000000, -0.0008986900000000, -0.0012385700000000 ] - [ -0.0010433300000000, 0.0000086800000000, -0.0001693500000000 ] - [ -0.0008932400000000, 0.0000238200000000, -0.0012441500000000 ] - [ -0.0019416000000000, -0.0016349800000000, 0.0013390700000000 ] - [ 0.0020551900000000, 0.0014706500000000, 0.0006156600000000 ] - [ 0.0012449100000000, 0.0003949900000000, 0.0051267100000000 ] - [ -0.0059801000000000, 0.0002453600000000, 0.0055463900000000 ] - [ -0.0001169600000000, -0.0003047900000000, -0.0075674400000000 ] - [ 0.0002461400000000, -0.0002609900000000, 0.0019406400000000 ] - [ 0.0005431200000000, -0.0000986600000000, -0.0037845600000000 ] - [ -0.0000390500000000, 0.0002671000000000, 0.0017065200000000 ] - [ 0.0009354900000000, 0.0517923000000000, -0.0732083100000000 ] - [ -0.0001282000000000, 0.0001406800000000, 0.0024911000000000 ] - [ -0.0001357000000000, 0.0007919100000000, 0.0010900800000000 ] - [ 0.0002313700000000, -0.0023483100000000, 0.0000894000000000 ] - [ -0.0020921100000000, -0.0027720600000000, -0.0090333300000000 ] - [ 0.0008782800000000, -0.0014472400000000, 0.0007952700000000 ] - [ 0.0021837200000000, 0.0002445500000000, 0.0023174300000000 ] - [ 0.0012492700000000, -0.0003449400000000, 0.0016275100000000 ] - [ -0.0007823200000000, -0.0007658700000000, 0.0026259600000000 ] - [ -0.0011043200000000, -0.0027818400000000, 0.0017254600000000 ] - [ 0.0000315300000000, -0.0009172600000000, 0.0068932200000000 ] - [ -0.0003324200000000, 0.0034457700000000, 0.0037495000000000 ] - [ -0.0020386200000000, -0.0005873900000000, -0.0063129500000000 ] - [ -0.0016508500000000, -0.0001312200000000, 0.0002229700000000 ] - [ -0.0057994400000000, 0.0054683100000000, -0.0002910700000000 ] - [ 0.0008184700000000, 0.0000055500000000, 0.0028277700000000 ] - [ 0.0012860500000000, -0.0008692900000000, -0.0008408100000000 ] - [ -0.0005825400000000, 0.0004449100000000, 0.0013313000000000 ] - [ -0.0002992600000000, 0.0002815700000000, 0.0021729800000000 ] - [ -0.0085467600000000, 0.0019317000000000, -0.0132487300000000 ] - [ -0.0007190100000000, 0.0011894200000000, -0.0026906100000000 ] - [ 0.0002738300000000, -0.0002129400000000, 0.0022414700000000 ] - [ 0.0005763800000000, 0.0007820000000000, -0.0040499200000000 ] - [ 0.0007525800000000, 0.0014341100000000, 0.0002396800000000 ] - [ 0.0002479500000000, 0.0011616800000000, 0.0011585000000000 ] - [ 0.0000278200000000, 0.0000420600000000, -0.0010478100000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0374254800000000, 0.0079120400000000, 0.0259307100000000 ] - [ 0.0002740500000000, -0.0000654600000000, -0.0001509300000000 ] - [ 0.0037708200000000, 0.0010425700000000, -0.0003860000000000 ] - [ -0.0000512300000000, -0.0003503200000000, -0.0001287400000000 ] - [ 0.0037212400000000, 0.0004262700000000, -0.0003789600000000 ] - [ 0.0000393400000000, 0.0005332300000000, -0.0000726600000000 ] - [ -0.0007325600000000, 0.0003120100000000, 0.0006606100000000 ] - [ -0.0014941600000000, 0.0008350800000000, -0.0002219800000000 ] - [ -0.0003870500000000, -0.0001107000000000, 0.0002364400000000 ] - [ 0.0018024000000000, -0.0017078900000000, 0.0031943800000000 ] - [ 0.0001459600000000, -0.0010468600000000, 0.0006895600000000 ] - [ 0.0008682100000000, -0.0018060400000000, -0.0002400800000000 ] - [ -0.0042036300000000, 0.0134869400000000, 0.0067456500000000 ] - [ 0.0000959400000000, 0.0002054000000000, 0.0002420100000000 ] - [ 0.0065226800000000, -0.0073699000000000, -0.0021841600000000 ] - [ 0.0001264600000000, -0.0004697700000000, 0.0002951000000000 ] - [ 0.0000416400000000, 0.0000490400000000, -0.0002439100000000 ] - [ -0.0002854900000000, 0.0000315900000000, 0.0002130200000000 ] - [ -0.0004170100000000, -0.0001298600000000, 0.0005883100000000 ] - [ 0.0015770000000000, 0.0019591900000000, -0.0036637200000000 ] - [ 0.0006701300000000, -0.0000490300000000, -0.0003306400000000 ] - [ 0.0026511600000000, -0.0008798900000000, -0.0001345200000000 ] - [ 0.0008763000000000, -0.0001955600000000, 0.0005105800000000 ] - [ 0.0016102700000000, -0.0003366000000000, -0.0006776800000000 ] - [ -0.1801569100000000, -0.0883451400000000, -0.1042774100000000 ] - [ 0.0000628200000000, -0.0006811100000000, 0.0002357500000000 ] - [ 0.0004805700000000, -0.0013471600000000, 0.0001702300000000 ] - [ -0.0006849200000000, 0.0000185600000000, 0.0001683800000000 ] - [ 0.0015035500000000, 0.0019409300000000, -0.0007171600000000 ] - [ 0.0004608900000000, 0.0006407200000000, 0.0001373400000000 ] - [ 0.0000921500000000, 0.0011710100000000, 0.0006038500000000 ] - [ 0.0003813800000000, 0.0017508700000000, -0.0006125800000000 ] - [ 0.0006237500000000, -0.0001796700000000, -0.0005861700000000 ] - [ 0.0082366100000000, -0.0000245800000000, 0.0066381300000000 ] - [ -0.0008190000000000, -0.0006574700000000, 0.0006430900000000 ] - [ 0.0015457900000000, -0.0037989300000000, -0.0039199900000000 ] - [ -0.0108083300000000, -0.0010793800000000, -0.0028791500000000 ] - [ -0.0003988000000000, -0.0009034600000000, 0.0007582400000000 ] - [ 0.0000847100000000, -0.0005663200000000, -0.0008320700000000 ] - [ -0.0005971700000000, 0.0002842000000000, 0.0006000300000000 ] - [ 0.0009007300000000, 0.0013489700000000, 0.0005333600000000 ] - [ 0.0008086200000000, 0.0004543700000000, 0.0005422400000000 ] - [ 0.0003928800000000, 0.0020779500000000, 0.0012548100000000 ] - [ 0.0005740000000000, 0.0017266000000000, -0.0015645500000000 ] - [ 0.0023095700000000, -0.0013425300000000, -0.0040627300000000 ] - [ 0.0015266000000000, -0.0004747200000000, 0.0017987200000000 ] - [ -0.0007609000000000, -0.0019306000000000, 0.0016353700000000 ] - [ -0.0006236000000000, -0.0003231600000000, -0.0012437700000000 ] - [ 0.0005489400000000, 0.0014467800000000, 0.0022353500000000 ] - [ -0.0041394700000000, 0.0039465800000000, -0.0048838700000000 ] - [ 0.0004525400000000, -0.0005495100000000, -0.0015490300000000 ] - [ 0.0002392500000000, -0.0037650600000000, 0.0022637000000000 ] - [ -0.0009130700000000, -0.0013640500000000, 0.0005963700000000 ] - [ 0.0000235200000000, -0.0001217800000000, -0.0005870200000000 ] - [ -0.0063548800000000, 0.0020212000000000, 0.0006446100000000 ] - [ -0.0003072400000000, 0.0001528500000000, -0.0007354400000000 ] - [ 0.1266588000000000, 0.0641609700000000, 0.0850288100000000 ] - [ 0.0003477100000000, 0.0000065200000000, -0.0007200100000000 ] - [ -0.0004109800000000, 0.0007574500000000, -0.0015183200000000 ] - [ -0.0024053700000000, 0.0007399500000000, 0.0025437300000000 ] - [ -0.0018958800000000, -0.0053130200000000, -0.0016844300000000 ] - [ 0.0006945900000000, -0.0017214900000000, -0.0013949800000000 ] - [ 0.0016163800000000, -0.0004800400000000, 0.0016660900000000 ] - [ 0.0012645900000000, 0.0004812600000000, 0.0014882200000000 ] - [ -0.0016513400000000, -0.0019774200000000, 0.0014985000000000 ] - [ -0.0018912700000000, -0.0034676000000000, 0.0007029700000000 ] - [ 0.0001724600000000, 0.0020999000000000, 0.0007013900000000 ] - [ 0.0052682100000000, 0.0013671900000000, -0.0009900100000000 ] - [ 0.0094381700000000, 0.0021141300000000, -0.0030933400000000 ] - [ -0.0014714800000000, -0.0000034200000000, -0.0019629200000000 ] - [ 0.0025422800000000, 0.0000504800000000, -0.0002658000000000 ] - [ 0.0005687400000000, 0.0007481400000000, -0.0001594200000000 ] - [ -0.0054530700000000, 0.0001872000000000, -0.0043309700000000 ] - [ -0.0012554300000000, 0.0001610700000000, 0.0002028900000000 ] - [ 0.0001786600000000, 0.0001440900000000, -0.0007019400000000 ] - [ 0.0032623400000000, 0.0047054700000000, 0.0001443000000000 ] - [ -0.0072442100000000, 0.0001347700000000, 0.0049564200000000 ] - [ -0.0003552500000000, -0.0000548200000000, -0.0000880000000000 ] - [ 0.0027103100000000, 0.0079688600000000, -0.0024126700000000 ] - [ 0.0011162600000000, 0.0015826000000000, -0.0015098000000000 ] - [ -0.0009134600000000, 0.0015387600000000, -0.0019654100000000 ] - [ -0.0002242800000000, 0.0002666000000000, 0.0003636700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0372810000000000, -0.0081986900000000, -0.0269505500000000 ] - [ 0.0006845900000000, -0.0001073600000000, -0.0002747500000000 ] - [ -0.0043968600000000, -0.0017988000000000, -0.0000387300000000 ] - [ -0.0005718700000000, -0.0003907200000000, -0.0002961500000000 ] - [ -0.0040362500000000, 0.0005258800000000, -0.0000434300000000 ] - [ -0.0003730500000000, 0.0003886600000000, -0.0003512900000000 ] - [ -0.0002186600000000, -0.0001305200000000, -0.0002291800000000 ] - [ 0.0005413600000000, -0.0006544200000000, 0.0006428200000000 ] - [ 0.0009901100000000, 0.0008442100000000, 0.0001902100000000 ] - [ -0.0011879000000000, 0.0024337600000000, -0.0027540000000000 ] - [ 0.0001868000000000, 0.0001346900000000, -0.0002663900000000 ] - [ -0.0005334500000000, 0.0008883200000000, 0.0006636200000000 ] - [ 0.0048014900000000, -0.0128918500000000, -0.0065373100000000 ] - [ 0.0003326600000000, 0.0003563800000000, -0.0000577500000000 ] - [ -0.0062025100000000, 0.0066315300000000, 0.0023465400000000 ] - [ 0.0001451200000000, -0.0001851000000000, -0.0001094300000000 ] - [ -0.0007448800000000, 0.0000546300000000, 0.0004288100000000 ] - [ -0.0004198600000000, 0.0000577200000000, -0.0000282900000000 ] - [ 0.0000000500000000, -0.0004338800000000, -0.0007704100000000 ] - [ -0.0020009100000000, -0.0025290400000000, 0.0034990000000000 ] - [ -0.0009449200000000, 0.0006934300000000, 0.0001327400000000 ] - [ -0.0029230100000000, 0.0015233400000000, -0.0000408900000000 ] - [ -0.0001688100000000, 0.0001108100000000, -0.0007011100000000 ] - [ -0.0008951500000000, 0.0002544700000000, 0.0004981200000000 ] - [ 0.1819034500000000, 0.0899475300000000, 0.1094138700000000 ] - [ 0.0004942200000000, -0.0005546200000000, -0.0001296100000000 ] - [ -0.0018295000000000, 0.0014666700000000, -0.0000626300000000 ] - [ -0.0006694500000000, 0.0001147400000000, -0.0000680700000000 ] - [ -0.0007084000000000, -0.0008162500000000, 0.0008204500000000 ] - [ 0.0003326800000000, 0.0004627900000000, -0.0000344900000000 ] - [ -0.0006433700000000, 0.0000679400000000, -0.0007046400000000 ] - [ -0.0009304400000000, -0.0005100200000000, 0.0005109800000000 ] - [ 0.0007242300000000, 0.0000454500000000, 0.0004730900000000 ] - [ -0.0067997100000000, -0.0000961500000000, -0.0066598300000000 ] - [ 0.0000329500000000, -0.0004469300000000, -0.0007505500000000 ] - [ -0.0023324100000000, 0.0027152600000000, 0.0038308800000000 ] - [ 0.0108062500000000, -0.0004429500000000, 0.0039120900000000 ] - [ 0.0003238600000000, -0.0006865600000000, 0.0000361200000000 ] - [ -0.0014352700000000, 0.0014166200000000, 0.0016181200000000 ] - [ -0.0007527200000000, 0.0005759600000000, 0.0002007300000000 ] - [ 0.0005174400000000, -0.0005897700000000, 0.0002610300000000 ] - [ 0.0006136800000000, 0.0002860200000000, 0.0002624400000000 ] - [ -0.0003060600000000, -0.0004895200000000, -0.0020624500000000 ] - [ -0.0004969400000000, -0.0001313900000000, 0.0007598100000000 ] - [ -0.0009630900000000, 0.0004656700000000, 0.0032046900000000 ] - [ -0.0001777500000000, -0.0003917000000000, -0.0025881300000000 ] - [ -0.0006529500000000, 0.0011979600000000, -0.0024443900000000 ] - [ -0.0007929000000000, -0.0004180400000000, 0.0004443500000000 ] - [ -0.0004580400000000, -0.0017552200000000, -0.0013909700000000 ] - [ 0.0042094600000000, -0.0042503100000000, 0.0056650400000000 ] - [ -0.0002186000000000, 0.0007719200000000, 0.0023559300000000 ] - [ -0.0000035500000000, 0.0039890600000000, -0.0014433500000000 ] - [ 0.0012407200000000, 0.0011891400000000, -0.0014025500000000 ] - [ 0.0003072300000000, 0.0000042000000000, -0.0002220800000000 ] - [ 0.0062859700000000, -0.0016647500000000, -0.0014555100000000 ] - [ 0.0002481900000000, 0.0001791300000000, -0.0000750500000000 ] - [ -0.1286796500000000, -0.0674050300000000, -0.0900214200000000 ] - [ -0.0006059800000000, -0.0002320900000000, -0.0000857600000000 ] - [ 0.0000769700000000, -0.0006459400000000, 0.0023390800000000 ] - [ 0.0020571800000000, -0.0006220300000000, -0.0017292900000000 ] - [ 0.0034390300000000, 0.0024020400000000, -0.0012170600000000 ] - [ 0.0008755300000000, -0.0011799700000000, -0.0015043200000000 ] - [ 0.0016795000000000, 0.0003895300000000, 0.0012390000000000 ] - [ 0.0020339900000000, -0.0005699900000000, 0.0014091600000000 ] - [ -0.0000778900000000, -0.0008528600000000, 0.0014072600000000 ] - [ 0.0001570400000000, 0.0006345900000000, 0.0021877900000000 ] - [ -0.0017494400000000, 0.0008271800000000, 0.0021639900000000 ] - [ -0.0067819600000000, 0.0015417400000000, 0.0038820400000000 ] - [ -0.0117985000000000, -0.0017736900000000, -0.0003099300000000 ] - [ -0.0018254000000000, 0.0000976800000000, -0.0009381200000000 ] - [ -0.0025074800000000, -0.0000872100000000, 0.0006537500000000 ] - [ -0.0005662900000000, -0.0007515100000000, 0.0005514200000000 ] - [ 0.0054527900000000, -0.0001771800000000, 0.0039670600000000 ] - [ 0.0012502400000000, -0.0001586000000000, -0.0005964500000000 ] - [ -0.0001772100000000, -0.0001485500000000, 0.0000347300000000 ] - [ -0.0032147600000000, -0.0047401600000000, -0.0007969200000000 ] - [ 0.0072455800000000, -0.0001294400000000, -0.0043306800000000 ] - [ 0.0003522300000000, 0.0000562900000000, 0.0007568000000000 ] - [ -0.0010192200000000, -0.0051318900000000, -0.0005054200000000 ] - [ 0.0006131800000000, 0.0012400400000000, -0.0013877000000000 ] - [ 0.0008984400000000, -0.0015413200000000, 0.0019682300000000 ] - [ 0.0002197900000000, -0.0002709800000000, -0.0003647600000000 ]- atom: 25 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.0204020000000000, -0.0139291300000000, -0.0135978800000000 ] - [ 0.0004915800000000, -0.0002144900000000, -0.0000522700000000 ] - [ -0.0027121100000000, -0.0011302200000000, -0.0001508600000000 ] - [ -0.0003626100000000, -0.0003408400000000, -0.0002252300000000 ] - [ -0.0015209900000000, 0.0015321900000000, -0.0003355300000000 ] - [ -0.0002738100000000, 0.0004190500000000, -0.0001978200000000 ] - [ 0.0000164800000000, 0.0002979500000000, 0.0008314300000000 ] - [ 0.0007344300000000, 0.0001016700000000, -0.0010170100000000 ] - [ -0.0001488900000000, 0.0001715600000000, 0.0007431500000000 ] - [ -0.0023923000000000, -0.0000356900000000, -0.0029674800000000 ] - [ -0.0001113200000000, 0.0002895200000000, 0.0003403100000000 ] - [ -0.0016003000000000, 0.0027234900000000, 0.0004814500000000 ] - [ 0.0200357100000000, 0.0206050200000000, 0.0135873800000000 ] - [ 0.0002187500000000, 0.0000917700000000, 0.0002800800000000 ] - [ -0.0080501300000000, 0.0045728000000000, 0.0024315900000000 ] - [ 0.0000705500000000, -0.0003025300000000, 0.0001114700000000 ] - [ -0.0018076400000000, 0.0020086800000000, 0.0003598200000000 ] - [ -0.0004169700000000, 0.0001784300000000, 0.0001592400000000 ] - [ 0.0002386900000000, -0.0004480400000000, 0.0001929400000000 ] - [ -0.0000700700000000, -0.0024968900000000, 0.0002129200000000 ] - [ -0.0005068900000000, 0.0003439200000000, 0.0000322100000000 ] - [ -0.0012642800000000, 0.0000532300000000, 0.0000129400000000 ] - [ 0.0001496800000000, 0.0000616500000000, -0.0003071600000000 ] - [ -0.0015200500000000, -0.0000949600000000, 0.0004446300000000 ] - [ 0.0135981800000000, -0.0745616500000000, -0.0507110800000000 ] - [ 0.0003321500000000, -0.0006234900000000, 0.0004387300000000 ] - [ -0.0017327400000000, 0.0026982200000000, -0.0005464300000000 ] - [ -0.0007425500000000, 0.0002304300000000, 0.0000440100000000 ] - [ 0.0003000800000000, 0.0018291600000000, -0.0000880200000000 ] - [ 0.0004692100000000, 0.0005845600000000, 0.0000938800000000 ] - [ 0.0000179900000000, 0.0010238900000000, 0.0001294900000000 ] - [ 0.0003746300000000, 0.0004466700000000, -0.0008141500000000 ] - [ 0.0006810000000000, -0.0004230600000000, 0.0002159000000000 ] - [ -0.0001429500000000, -0.0017292600000000, -0.0009444800000000 ] - [ -0.0003493600000000, -0.0005837600000000, -0.0002318300000000 ] - [ -0.0071357500000000, 0.0043003100000000, 0.0064883100000000 ] - [ 0.0075408000000000, -0.0075248000000000, 0.0125229700000000 ] - [ 0.0001577400000000, -0.0014675600000000, 0.0013334400000000 ] - [ -0.0018990200000000, 0.0020336600000000, 0.0015257700000000 ] - [ -0.0007988800000000, 0.0006812100000000, 0.0002997100000000 ] - [ 0.0007086900000000, 0.0017740000000000, 0.0008327800000000 ] - [ 0.0007190100000000, 0.0005239100000000, 0.0002883300000000 ] - [ 0.0007195800000000, 0.0004974300000000, 0.0001119500000000 ] - [ 0.0002633100000000, 0.0004184500000000, -0.0006134600000000 ] - [ 0.0001366800000000, -0.0006800600000000, 0.0003450100000000 ] - [ 0.0001170600000000, -0.0010556900000000, -0.0010287700000000 ] - [ -0.0010532900000000, -0.0000389100000000, -0.0017569100000000 ] - [ -0.0013554100000000, -0.0003353700000000, 0.0011827200000000 ] - [ 0.0006968800000000, 0.0002723700000000, -0.0003424900000000 ] - [ 0.0032241000000000, 0.0017538200000000, 0.0012753000000000 ] - [ -0.0009053500000000, -0.0001236400000000, -0.0003817500000000 ] - [ -0.0016845500000000, 0.0021863200000000, 0.0015401600000000 ] - [ 0.0011807800000000, -0.0020918900000000, -0.0002557500000000 ] - [ 0.0001986200000000, -0.0000760200000000, -0.0004025300000000 ] - [ 0.0049985300000000, -0.0031898600000000, -0.0008793400000000 ] - [ 0.0001146100000000, -0.0000213900000000, -0.0002808000000000 ] - [ -0.0071536300000000, 0.0717514700000000, 0.0277131500000000 ] - [ -0.0000061000000000, -0.0000419200000000, -0.0009810900000000 ] - [ 0.0002457200000000, -0.0008966600000000, 0.0012887400000000 ] - [ 0.0042303300000000, -0.0017893100000000, -0.0034189500000000 ] - [ -0.0029498400000000, -0.0032063700000000, -0.0022730500000000 ] - [ 0.0006917500000000, -0.0016571200000000, -0.0014783500000000 ] - [ 0.0020746800000000, -0.0006549900000000, 0.0012527000000000 ] - [ 0.0015059700000000, -0.0014067600000000, 0.0014806400000000 ] - [ -0.0014703300000000, -0.0014701300000000, 0.0011812600000000 ] - [ -0.0008386300000000, -0.0016689900000000, 0.0019041000000000 ] - [ -0.0010213400000000, 0.0029251000000000, 0.0003508600000000 ] - [ -0.0039739300000000, 0.0069651600000000, 0.0019019000000000 ] - [ -0.0069352100000000, 0.0045467300000000, 0.0004322600000000 ] - [ -0.0018445800000000, 0.0002903200000000, -0.0014168800000000 ] - [ 0.0016714300000000, -0.0020493600000000, -0.0026609700000000 ] - [ -0.0000071900000000, -0.0005490800000000, 0.0008810600000000 ] - [ 0.0018860200000000, 0.0002589100000000, 0.0014540400000000 ] - [ 0.0004986000000000, 0.0004862500000000, -0.0003265100000000 ] - [ 0.0000458000000000, -0.0001700900000000, -0.0007643800000000 ] - [ 0.0034847000000000, -0.0092389200000000, 0.0044816300000000 ] - [ 0.0030671400000000, 0.0011504400000000, -0.0011937600000000 ] - [ 0.0000352500000000, 0.0001338300000000, 0.0002251300000000 ] - [ 0.0066348600000000, -0.0073717600000000, 0.0028703100000000 ] - [ 0.0008968400000000, 0.0012302600000000, -0.0018607000000000 ] - [ 0.0013456100000000, 0.0009872800000000, -0.0022966100000000 ] - [ 0.0003408000000000, 0.0002596100000000, 0.0004924900000000 ]- atom: 25 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.0213172500000000, 0.0136547100000000, 0.0131576900000000 ] - [ 0.0004644700000000, 0.0000425900000000, -0.0003713100000000 ] - [ 0.0021074300000000, 0.0003996700000000, -0.0002825200000000 ] - [ -0.0002612700000000, -0.0004013200000000, -0.0001984100000000 ] - [ 0.0011884100000000, -0.0006196300000000, -0.0000960700000000 ] - [ -0.0000617900000000, 0.0005000600000000, -0.0002243200000000 ] - [ -0.0009716200000000, -0.0001171000000000, -0.0003965500000000 ] - [ -0.0017048000000000, 0.0000757700000000, 0.0014470800000000 ] - [ 0.0007627700000000, 0.0005714400000000, -0.0003074700000000 ] - [ 0.0030389800000000, 0.0007812100000000, 0.0034209000000000 ] - [ 0.0004452700000000, -0.0012092700000000, 0.0000875000000000 ] - [ 0.0019251200000000, -0.0036309400000000, -0.0000417700000000 ] - [ -0.0198862400000000, -0.0202927800000000, -0.0135238900000000 ] - [ 0.0002070200000000, 0.0004700300000000, -0.0000932900000000 ] - [ 0.0084311700000000, -0.0052901800000000, -0.0022967200000000 ] - [ 0.0002040300000000, -0.0003519300000000, 0.0000764100000000 ] - [ 0.0010806200000000, -0.0019254800000000, -0.0001866400000000 ] - [ -0.0002899100000000, -0.0000915100000000, 0.0000279600000000 ] - [ -0.0006596500000000, -0.0001143400000000, -0.0003679100000000 ] - [ -0.0003457000000000, 0.0019401300000000, -0.0004099500000000 ] - [ 0.0002284100000000, 0.0003103700000000, -0.0002137400000000 ] - [ 0.0009971600000000, 0.0006003900000000, -0.0001963500000000 ] - [ 0.0005530200000000, -0.0001505600000000, 0.0001242200000000 ] - [ 0.0022125300000000, 0.0000013100000000, -0.0006253400000000 ] - [ -0.0130502400000000, 0.0726809000000000, 0.0502353000000000 ] - [ 0.0002262200000000, -0.0006070500000000, -0.0003285200000000 ] - [ 0.0003880700000000, -0.0025605400000000, 0.0006422700000000 ] - [ -0.0006093600000000, -0.0000991500000000, 0.0000598200000000 ] - [ 0.0004895400000000, -0.0007289300000000, 0.0001818300000000 ] - [ 0.0003189200000000, 0.0005165600000000, 0.0000132700000000 ] - [ -0.0005700600000000, 0.0002140100000000, -0.0002246800000000 ] - [ -0.0009280400000000, 0.0007927600000000, 0.0007141600000000 ] - [ 0.0006692900000000, 0.0002857800000000, -0.0003116500000000 ] - [ 0.0015026000000000, 0.0015962300000000, 0.0008449700000000 ] - [ -0.0004370800000000, -0.0005187400000000, 0.0001313200000000 ] - [ 0.0062568200000000, -0.0053316200000000, -0.0065005900000000 ] - [ -0.0076214400000000, 0.0060611900000000, -0.0116504600000000 ] - [ -0.0002360400000000, -0.0001249000000000, -0.0005231300000000 ] - [ 0.0005549000000000, -0.0011746200000000, -0.0007409300000000 ] - [ -0.0005468000000000, 0.0001815900000000, 0.0005089400000000 ] - [ 0.0007098100000000, -0.0010340500000000, -0.0000365700000000 ] - [ 0.0007013200000000, 0.0002116700000000, 0.0005202200000000 ] - [ -0.0006381500000000, 0.0011023700000000, -0.0009169500000000 ] - [ -0.0001861600000000, 0.0011799000000000, -0.0001939800000000 ] - [ 0.0012082300000000, -0.0001857600000000, -0.0011497700000000 ] - [ 0.0012313300000000, 0.0001937900000000, 0.0002293400000000 ] - [ -0.0003681200000000, -0.0007102700000000, 0.0009523100000000 ] - [ -0.0000663900000000, -0.0004081700000000, -0.0019662900000000 ] - [ -0.0006257700000000, -0.0005966100000000, 0.0011544900000000 ] - [ -0.0031739600000000, -0.0020968000000000, -0.0004572400000000 ] - [ 0.0011457200000000, 0.0003378800000000, 0.0011869400000000 ] - [ 0.0019427500000000, -0.0019811500000000, -0.0007191400000000 ] - [ -0.0008386500000000, 0.0019920000000000, -0.0005457300000000 ] - [ 0.0001319300000000, -0.0000402200000000, -0.0004176300000000 ] - [ -0.0050756300000000, 0.0035106900000000, 0.0000775500000000 ] - [ -0.0001756700000000, 0.0003487000000000, -0.0005413700000000 ] - [ 0.0071393200000000, -0.0711614000000000, -0.0279487000000000 ] - [ -0.0002483500000000, -0.0001818400000000, 0.0001577400000000 ] - [ -0.0005756900000000, 0.0010145700000000, -0.0004738500000000 ] - [ -0.0045407300000000, 0.0019204500000000, 0.0042160000000000 ] - [ 0.0045044100000000, 0.0002908300000000, -0.0006232100000000 ] - [ 0.0008769000000000, -0.0012449100000000, -0.0014288000000000 ] - [ 0.0012209000000000, 0.0005567000000000, 0.0016534300000000 ] - [ 0.0017848200000000, 0.0013061700000000, 0.0014163700000000 ] - [ -0.0002631000000000, -0.0013480300000000, 0.0017218100000000 ] - [ -0.0008912900000000, -0.0011503700000000, 0.0009976400000000 ] - [ -0.0005506600000000, 0.0000009300000000, 0.0025183500000000 ] - [ 0.0024320500000000, -0.0040808600000000, 0.0009896600000000 ] - [ 0.0036605500000000, -0.0043920300000000, -0.0033291200000000 ] - [ -0.0014532100000000, -0.0001943700000000, -0.0014933700000000 ] - [ -0.0016465200000000, 0.0020140500000000, 0.0030601700000000 ] - [ 0.0000086000000000, 0.0005455100000000, -0.0004991800000000 ] - [ -0.0019084300000000, -0.0002567700000000, -0.0018602000000000 ] - [ -0.0004998700000000, -0.0004791200000000, -0.0000667200000000 ] - [ -0.0000459200000000, 0.0001649400000000, 0.0000944800000000 ] - [ -0.0034809100000000, 0.0092792700000000, -0.0051560900000000 ] - [ -0.0030846600000000, -0.0011455500000000, 0.0018803400000000 ] - [ -0.0000350100000000, -0.0001313100000000, 0.0004298900000000 ] - [ -0.0048676200000000, 0.0101769400000000, -0.0057363100000000 ] - [ 0.0008324600000000, 0.0015884200000000, -0.0010491600000000 ] - [ -0.0013394200000000, -0.0009908800000000, 0.0022801900000000 ] - [ -0.0003411800000000, -0.0002613600000000, -0.0004889900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0180569900000000, 0.0039752600000000, -0.0033353600000000 ] - [ -0.0001132800000000, 0.0000060500000000, 0.0016063700000000 ] - [ 0.0006806000000000, 0.0002955200000000, -0.0015812900000000 ] - [ -0.0002100700000000, -0.0002750900000000, 0.0010804800000000 ] - [ -0.0001334500000000, -0.0002057700000000, -0.0017397000000000 ] - [ -0.0001361800000000, 0.0003995700000000, 0.0011307100000000 ] - [ 0.0001231200000000, 0.0016168700000000, 0.0022335800000000 ] - [ -0.0010447700000000, -0.0015332700000000, -0.0001552100000000 ] - [ -0.0019156600000000, 0.0004216700000000, 0.0025905300000000 ] - [ 0.0057574600000000, -0.0018110500000000, 0.0035732400000000 ] - [ 0.0000672700000000, -0.0004647100000000, 0.0013045900000000 ] - [ -0.0006808600000000, 0.0008857000000000, 0.0004378600000000 ] - [ 0.0033948700000000, 0.0062941500000000, -0.0089748400000000 ] - [ 0.0000726100000000, -0.0004730600000000, 0.0021816200000000 ] - [ -0.0003972900000000, 0.0005389300000000, -0.0029566200000000 ] - [ 0.0000314100000000, -0.0004766700000000, 0.0015911100000000 ] - [ -0.0007424600000000, -0.0002516700000000, -0.0018920300000000 ] - [ -0.0003034100000000, 0.0002851100000000, 0.0014231900000000 ] - [ 0.0011999000000000, 0.0000148700000000, 0.0020624400000000 ] - [ -0.0056904600000000, -0.0040021900000000, 0.0009050100000000 ] - [ -0.0008511900000000, 0.0003069400000000, 0.0009633900000000 ] - [ 0.0020708500000000, -0.0003443300000000, -0.0009661100000000 ] - [ 0.0006276200000000, 0.0000373700000000, 0.0009572200000000 ] - [ -0.0008726500000000, -0.0003999000000000, -0.0006830300000000 ] - [ -0.1036974500000000, -0.1180032500000000, -0.2427187300000000 ] - [ 0.0004563600000000, -0.0000758700000000, 0.0036211100000000 ] - [ -0.0008211400000000, 0.0010470100000000, -0.0025191500000000 ] - [ -0.0006413700000000, -0.0000485700000000, 0.0019982300000000 ] - [ 0.0008882000000000, 0.0009634200000000, -0.0025189300000000 ] - [ 0.0002970700000000, 0.0006218300000000, 0.0019974600000000 ] - [ 0.0003780600000000, 0.0012066500000000, 0.0022152300000000 ] - [ -0.0008359100000000, -0.0005842100000000, -0.0024510300000000 ] - [ 0.0005023500000000, -0.0007761400000000, 0.0019116800000000 ] - [ 0.0072038100000000, 0.0006517200000000, 0.0006184000000000 ] - [ -0.0001457700000000, -0.0010060600000000, 0.0019115800000000 ] - [ -0.0061764300000000, 0.0038204900000000, 0.0006067200000000 ] - [ 0.0090234300000000, 0.0184714400000000, 0.0426384100000000 ] - [ -0.0004428600000000, -0.0025238400000000, 0.0062749700000000 ] - [ -0.0009551000000000, 0.0001715400000000, -0.0010496600000000 ] - [ -0.0004924700000000, 0.0007329800000000, 0.0020224700000000 ] - [ 0.0003929900000000, 0.0011724800000000, -0.0009413200000000 ] - [ 0.0011129900000000, 0.0000644400000000, 0.0019108200000000 ] - [ 0.0006258600000000, 0.0012095900000000, 0.0005892600000000 ] - [ -0.0003934300000000, -0.0001489700000000, 0.0006666900000000 ] - [ -0.0000621200000000, -0.0005837200000000, 0.0003651100000000 ] - [ 0.0015758700000000, 0.0001117600000000, 0.0012486000000000 ] - [ -0.0000097900000000, -0.0016163100000000, 0.0005622200000000 ] - [ -0.0019467100000000, 0.0004065400000000, 0.0009310400000000 ] - [ 0.0021506900000000, 0.0012566300000000, -0.0019999900000000 ] - [ -0.0060748700000000, -0.0005543800000000, -0.0017661400000000 ] - [ -0.0018616400000000, -0.0015582300000000, -0.0030047700000000 ] - [ 0.0019000900000000, 0.0057062900000000, 0.0009373300000000 ] - [ 0.0003224700000000, 0.0004486600000000, 0.0028037000000000 ] - [ 0.0001272900000000, 0.0000413600000000, -0.0030829200000000 ] - [ -0.0000592400000000, -0.0009266900000000, 0.0024134700000000 ] - [ -0.0002145900000000, -0.0000108600000000, -0.0031800900000000 ] - [ 0.0860792500000000, 0.0809775900000000, 0.1765687300000000 ] - [ 0.0013189700000000, -0.0003119700000000, -0.0062258100000000 ] - [ -0.0005972200000000, 0.0003373000000000, -0.0017439700000000 ] - [ 0.0033294600000000, -0.0010025200000000, -0.0010759900000000 ] - [ -0.0004001900000000, -0.0030101700000000, 0.0012750700000000 ] - [ 0.0004522200000000, -0.0019020000000000, -0.0040452300000000 ] - [ 0.0011464500000000, 0.0001386800000000, -0.0001119600000000 ] - [ 0.0014454300000000, -0.0005158100000000, 0.0024162100000000 ] - [ -0.0003758600000000, -0.0016742900000000, -0.0001484100000000 ] - [ -0.0016188300000000, -0.0025686600000000, 0.0021483700000000 ] - [ -0.0016226700000000, 0.0052068700000000, -0.0066173600000000 ] - [ -0.0030495200000000, 0.0029677100000000, 0.0105421000000000 ] - [ -0.0071462600000000, -0.0004306500000000, 0.0125230800000000 ] - [ -0.0021061700000000, 0.0003652300000000, -0.0043831500000000 ] - [ 0.0032448300000000, -0.0060813000000000, 0.0002950800000000 ] - [ 0.0000912900000000, 0.0012801400000000, -0.0018042000000000 ] - [ -0.0024999100000000, 0.0004150200000000, -0.0015600600000000 ] - [ 0.0005114400000000, -0.0000259400000000, -0.0019299800000000 ] - [ 0.0001396700000000, -0.0003868900000000, -0.0036569300000000 ] - [ -0.0003018200000000, 0.0060380500000000, 0.0051129700000000 ] - [ -0.0009564000000000, 0.0002061800000000, 0.0070300700000000 ] - [ -0.0001784200000000, 0.0001961100000000, -0.0025473700000000 ] - [ 0.0003883900000000, 0.0043943000000000, 0.0040943600000000 ] - [ 0.0014052100000000, 0.0011529600000000, -0.0042190800000000 ] - [ -0.0006576800000000, -0.0019880700000000, 0.0007393300000000 ] - [ 0.0008407400000000, 0.0016941000000000, 0.0025552200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0170910900000000, -0.0041588800000000, 0.0030778000000000 ] - [ 0.0010532900000000, -0.0001744200000000, -0.0020192300000000 ] - [ -0.0013058600000000, -0.0010313500000000, 0.0011538500000000 ] - [ -0.0004096700000000, -0.0004637900000000, -0.0014982800000000 ] - [ -0.0002011400000000, 0.0011185300000000, 0.0013088700000000 ] - [ -0.0001984300000000, 0.0005136700000000, -0.0015469800000000 ] - [ -0.0010842300000000, -0.0014606100000000, -0.0018056900000000 ] - [ 0.0000908300000000, 0.0016902800000000, 0.0005664500000000 ] - [ 0.0025543600000000, 0.0003182000000000, -0.0021644900000000 ] - [ -0.0050740700000000, 0.0025200100000000, -0.0031268900000000 ] - [ 0.0002692000000000, -0.0004514600000000, -0.0008711700000000 ] - [ 0.0010105100000000, -0.0017871600000000, -0.0000245900000000 ] - [ -0.0028744900000000, -0.0055241700000000, 0.0093285600000000 ] - [ 0.0003519000000000, 0.0010366600000000, -0.0019842300000000 ] - [ 0.0006308500000000, -0.0011589300000000, 0.0031509700000000 ] - [ 0.0002586100000000, -0.0001906000000000, -0.0014016400000000 ] - [ 0.0000218900000000, 0.0003360600000000, 0.0020678800000000 ] - [ -0.0004168900000000, -0.0002027300000000, -0.0012336500000000 ] - [ -0.0016423000000000, -0.0005991300000000, -0.0022394800000000 ] - [ 0.0052078400000000, 0.0033956200000000, -0.0010927300000000 ] - [ 0.0005688900000000, 0.0003580100000000, -0.0011343100000000 ] - [ -0.0023418900000000, 0.0010032700000000, 0.0007692500000000 ] - [ 0.0000889000000000, -0.0001208400000000, -0.0011290200000000 ] - [ 0.0015813300000000, 0.0003136600000000, 0.0004883300000000 ] - [ 0.1100393500000000, 0.1220210300000000, 0.2473977000000000 ] - [ 0.0000961100000000, -0.0011629500000000, -0.0035060200000000 ] - [ -0.0005443800000000, -0.0008953200000000, 0.0025952500000000 ] - [ -0.0007154300000000, 0.0001886700000000, -0.0018898900000000 ] - [ -0.0000822700000000, 0.0001440400000000, 0.0025965300000000 ] - [ 0.0005057200000000, 0.0004769400000000, -0.0018896900000000 ] - [ -0.0009336000000000, 0.0000329700000000, -0.0022958300000000 ] - [ 0.0002818800000000, 0.0018186600000000, 0.0023268500000000 ] - [ 0.0008595000000000, 0.0006349700000000, -0.0019908700000000 ] - [ -0.0057913600000000, -0.0007902900000000, -0.0007322100000000 ] - [ -0.0006615100000000, -0.0000890000000000, -0.0019923400000000 ] - [ 0.0053434900000000, -0.0048900700000000, -0.0007441500000000 ] - [ -0.0092315900000000, -0.0205493800000000, -0.0428849200000000 ] - [ 0.0003746600000000, 0.0009010300000000, -0.0054205600000000 ] - [ -0.0003990300000000, 0.0006926900000000, 0.0018597700000000 ] - [ -0.0008591600000000, 0.0001233600000000, -0.0012255200000000 ] - [ 0.0010195400000000, -0.0004198800000000, 0.0017408900000000 ] - [ 0.0003085900000000, 0.0006771500000000, -0.0011122600000000 ] - [ -0.0005624100000000, 0.0003843000000000, -0.0013581000000000 ] - [ 0.0004613800000000, 0.0017408900000000, -0.0014672000000000 ] - [ 0.0014191700000000, -0.0002633500000000, -0.0011284600000000 ] - [ -0.0002180300000000, -0.0009660200000000, -0.0020449300000000 ] - [ -0.0014046100000000, 0.0008653500000000, -0.0013265300000000 ] - [ 0.0005104000000000, -0.0011354200000000, -0.0017297500000000 ] - [ -0.0021124000000000, -0.0016041200000000, 0.0027844600000000 ] - [ 0.0060991000000000, 0.0002026800000000, 0.0026011200000000 ] - [ 0.0021434800000000, 0.0017940600000000, 0.0037898700000000 ] - [ -0.0016391900000000, -0.0054385400000000, -0.0000994200000000 ] - [ 0.0000068700000000, -0.0005699500000000, -0.0036106600000000 ] - [ 0.0002025900000000, -0.0001580200000000, 0.0022607800000000 ] - [ 0.0000246400000000, 0.0012360100000000, -0.0032272400000000 ] - [ 0.0001511900000000, 0.0003428200000000, 0.0023568300000000 ] - [ -0.0920874600000000, -0.0864386200000000, -0.1825220900000000 ] - [ -0.0015475300000000, 0.0000896100000000, 0.0053668600000000 ] - [ 0.0002692300000000, -0.0002133200000000, 0.0025285200000000 ] - [ -0.0036436100000000, 0.0011032700000000, 0.0019098200000000 ] - [ 0.0019405600000000, 0.0000862900000000, -0.0041698700000000 ] - [ 0.0011206700000000, -0.0010004100000000, 0.0011307100000000 ] - [ 0.0021488700000000, -0.0002242000000000, 0.0029943100000000 ] - [ 0.0018560200000000, 0.0004185000000000, 0.0005068600000000 ] - [ -0.0013463200000000, -0.0011452600000000, 0.0030303800000000 ] - [ -0.0001174400000000, -0.0002566900000000, 0.0007724200000000 ] - [ 0.0000540700000000, -0.0023395200000000, 0.0095288100000000 ] - [ 0.0012894300000000, 0.0001505500000000, -0.0065100400000000 ] - [ 0.0041201500000000, 0.0005874000000000, -0.0154559100000000 ] - [ -0.0012041500000000, -0.0002733000000000, 0.0014655900000000 ] - [ -0.0032478900000000, 0.0061019000000000, 0.0000552600000000 ] - [ -0.0000952900000000, -0.0012671000000000, 0.0021939000000000 ] - [ 0.0024859900000000, -0.0004124700000000, 0.0011374400000000 ] - [ -0.0005015900000000, 0.0000287300000000, 0.0015352000000000 ] - [ -0.0001450000000000, 0.0003907700000000, 0.0029785300000000 ] - [ 0.0003212100000000, -0.0060675900000000, -0.0056892400000000 ] - [ 0.0009456600000000, -0.0002047300000000, -0.0063084600000000 ] - [ 0.0001845100000000, -0.0001963800000000, 0.0031965900000000 ] - [ 0.0013016400000000, -0.0015153600000000, -0.0070040900000000 ] - [ 0.0003288500000000, 0.0016624200000000, 0.0013019700000000 ] - [ 0.0006585400000000, 0.0019845000000000, -0.0007077500000000 ] - [ -0.0008301300000000, -0.0016741700000000, -0.0025387800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0249525600000000, -0.0070482200000000, -0.0276677300000000 ] - [ 0.0002931700000000, -0.0001128400000000, -0.0003468600000000 ] - [ 0.0033427200000000, 0.0012074500000000, 0.0001608600000000 ] - [ -0.0000144300000000, -0.0003048100000000, -0.0004782300000000 ] - [ 0.0021421200000000, -0.0005687000000000, 0.0003834700000000 ] - [ -0.0000490000000000, 0.0004496700000000, -0.0004422600000000 ] - [ -0.0024612800000000, 0.0011071600000000, 0.0007363600000000 ] - [ -0.0006960000000000, 0.0004673800000000, -0.0004894900000000 ] - [ 0.0061543200000000, -0.0010705100000000, -0.0080528000000000 ] - [ 0.0001650000000000, 0.0000480100000000, 0.0002907500000000 ] - [ 0.0006652600000000, -0.0026306400000000, -0.0000393200000000 ] - [ 0.0001172200000000, -0.0007031500000000, -0.0000138700000000 ] - [ -0.0073240800000000, 0.0102540800000000, -0.0145960300000000 ] - [ -0.0000765300000000, 0.0003542500000000, -0.0001096500000000 ] - [ 0.0060011800000000, -0.0045785600000000, 0.0042680600000000 ] - [ 0.0003598800000000, -0.0004972400000000, -0.0005641800000000 ] - [ -0.0005697900000000, -0.0006139100000000, 0.0008610400000000 ] - [ -0.0003964600000000, -0.0001734200000000, -0.0002497600000000 ] - [ 0.0009084300000000, 0.0007111700000000, 0.0027109300000000 ] - [ -0.0004842600000000, 0.0002236200000000, -0.0014885800000000 ] - [ 0.0025241100000000, 0.0001105900000000, -0.0006034500000000 ] - [ 0.0010042700000000, 0.0005926200000000, -0.0005289600000000 ] - [ 0.0011705600000000, -0.0003605500000000, 0.0004388800000000 ] - [ 0.0004816000000000, -0.0006338800000000, -0.0006653600000000 ] - [ -0.0105170100000000, 0.0018789400000000, 0.0090723900000000 ] - [ -0.0000841800000000, -0.0005975900000000, -0.0003600400000000 ] - [ 0.0005437100000000, -0.0015018900000000, 0.0008936800000000 ] - [ -0.0005460500000000, -0.0000374600000000, -0.0004222300000000 ] - [ 0.0006914000000000, 0.0012822000000000, 0.0004112500000000 ] - [ 0.0004623400000000, 0.0006900600000000, -0.0003109200000000 ] - [ 0.0000740700000000, 0.0016025600000000, 0.0005479100000000 ] - [ 0.0002614100000000, 0.0011873500000000, -0.0004745600000000 ] - [ 0.0011358500000000, 0.0012010400000000, -0.0014724300000000 ] - [ 0.0010259500000000, -0.0002718500000000, 0.0012441600000000 ] - [ -0.0008388200000000, -0.0008512700000000, 0.0004596800000000 ] - [ -0.0008210000000000, -0.0012500700000000, -0.0009574200000000 ] - [ -0.1284709800000000, -0.0070184900000000, 0.1406349100000000 ] - [ -0.0001570300000000, -0.0008582600000000, 0.0000768800000000 ] - [ 0.0008511000000000, -0.0001131200000000, 0.0007768400000000 ] - [ -0.0006354300000000, 0.0002779400000000, -0.0000616700000000 ] - [ 0.0002721100000000, -0.0002160000000000, 0.0015802600000000 ] - [ 0.0006452200000000, 0.0004611600000000, -0.0000183600000000 ] - [ 0.0016289400000000, 0.0031261200000000, 0.0013198200000000 ] - [ 0.0003665000000000, 0.0010739900000000, -0.0010970000000000 ] - [ 0.0044828500000000, 0.0005968400000000, -0.0020147400000000 ] - [ 0.0008940800000000, -0.0006006900000000, -0.0004229900000000 ] - [ 0.0001774200000000, -0.0030656900000000, 0.0020030700000000 ] - [ -0.0007897300000000, -0.0003755900000000, -0.0009538300000000 ] - [ -0.0052796100000000, -0.0025200500000000, 0.0037926000000000 ] - [ -0.0007038900000000, 0.0008262800000000, -0.0001478900000000 ] - [ 0.0007989800000000, -0.0035131800000000, -0.0026304900000000 ] - [ -0.0004338400000000, -0.0010070800000000, 0.0018812000000000 ] - [ -0.0000170800000000, 0.0008765400000000, -0.0017116300000000 ] - [ 0.0002372900000000, -0.0000391900000000, 0.0001914300000000 ] - [ -0.0066661800000000, 0.0017198900000000, -0.0004948500000000 ] - [ -0.0005485500000000, 0.0003375600000000, 0.0003733200000000 ] - [ 0.1120631700000000, 0.0069757500000000, -0.1024422000000000 ] - [ 0.0003419000000000, 0.0000160300000000, 0.0001099800000000 ] - [ -0.0010000500000000, 0.0026435100000000, -0.0025569500000000 ] - [ -0.0003304400000000, 0.0005999500000000, 0.0013088800000000 ] - [ -0.0018845100000000, -0.0049512300000000, -0.0022727000000000 ] - [ 0.0007687400000000, -0.0015849900000000, -0.0011677900000000 ] - [ 0.0007932100000000, -0.0000061200000000, 0.0021123800000000 ] - [ 0.0013972100000000, -0.0000769000000000, 0.0013354900000000 ] - [ -0.0015591300000000, -0.0024850800000000, 0.0018715100000000 ] - [ -0.0011811400000000, -0.0018201900000000, 0.0015773100000000 ] - [ 0.0043996700000000, -0.0000755900000000, 0.0034593800000000 ] - [ -0.0000399900000000, 0.0017818500000000, 0.0017101500000000 ] - [ -0.0085354800000000, -0.0055448100000000, -0.0086798000000000 ] - [ -0.0015643400000000, -0.0001496200000000, -0.0005903600000000 ] - [ 0.0056015300000000, 0.0019278200000000, -0.0001373800000000 ] - [ 0.0002751800000000, 0.0001156500000000, 0.0007224100000000 ] - [ -0.0067362800000000, 0.0002547600000000, -0.0038032900000000 ] - [ -0.0003555700000000, 0.0000418100000000, 0.0004446800000000 ] - [ 0.0009651000000000, 0.0010273800000000, 0.0010854200000000 ] - [ 0.0031191400000000, 0.0001398200000000, -0.0004480400000000 ] - [ -0.0046470300000000, -0.0004960200000000, 0.0037669400000000 ] - [ -0.0010283300000000, 0.0000921200000000, 0.0003383000000000 ] - [ 0.0026094500000000, 0.0062892500000000, -0.0014346500000000 ] - [ 0.0009049400000000, 0.0015808600000000, -0.0010554900000000 ] - [ -0.0006019800000000, 0.0040825100000000, -0.0002160600000000 ] - [ -0.0000253600000000, 0.0000909100000000, -0.0002603000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0245279300000000, 0.0070719300000000, 0.0277899800000000 ] - [ 0.0006561700000000, -0.0000565800000000, -0.0000764900000000 ] - [ -0.0039571500000000, -0.0019528700000000, -0.0005852300000000 ] - [ -0.0006017000000000, -0.0004310500000000, 0.0000550300000000 ] - [ -0.0024785500000000, 0.0015011800000000, -0.0008071000000000 ] - [ -0.0002852900000000, 0.0004633000000000, 0.0000194800000000 ] - [ 0.0015198500000000, -0.0009208800000000, -0.0002992500000000 ] - [ -0.0002533900000000, -0.0002947100000000, 0.0009069700000000 ] - [ -0.0055021300000000, 0.0017767100000000, 0.0083888000000000 ] - [ 0.0004434900000000, 0.0006872000000000, 0.0001308000000000 ] - [ -0.0003308600000000, 0.0017212200000000, 0.0004551600000000 ] - [ 0.0002154900000000, -0.0002041700000000, 0.0004359400000000 ] - [ 0.0079360700000000, -0.0096694800000000, 0.0147364600000000 ] - [ 0.0005067700000000, 0.0002240400000000, 0.0002922700000000 ] - [ -0.0056593100000000, 0.0038625600000000, -0.0040258600000000 ] - [ -0.0000729700000000, -0.0001696900000000, 0.0007452100000000 ] - [ -0.0001571000000000, 0.0007031700000000, -0.0006748600000000 ] - [ -0.0003241100000000, 0.0002565700000000, 0.0004320900000000 ] - [ -0.0013355800000000, -0.0012976300000000, -0.0029120200000000 ] - [ 0.0000662000000000, -0.0008022400000000, 0.0013071100000000 ] - [ -0.0028055400000000, 0.0005489200000000, 0.0004126000000000 ] - [ -0.0012948000000000, 0.0000665500000000, 0.0003552200000000 ] - [ -0.0004516300000000, 0.0002773700000000, -0.0006280100000000 ] - [ 0.0002403000000000, 0.0005561800000000, 0.0004879400000000 ] - [ 0.0110909500000000, -0.0031610300000000, -0.0091801400000000 ] - [ 0.0006326700000000, -0.0006453800000000, 0.0004611500000000 ] - [ -0.0018924500000000, 0.0016292900000000, -0.0007937800000000 ] - [ -0.0008117100000000, 0.0001798800000000, 0.0005143900000000 ] - [ 0.0001097400000000, -0.0001675000000000, -0.0003144200000000 ] - [ 0.0003425700000000, 0.0004106700000000, 0.0004043000000000 ] - [ -0.0006184200000000, -0.0003592300000000, -0.0006421900000000 ] - [ -0.0008027500000000, 0.0000598700000000, 0.0003770800000000 ] - [ 0.0002175200000000, -0.0013396500000000, 0.0013697300000000 ] - [ 0.0003249900000000, 0.0001208500000000, -0.0013188000000000 ] - [ 0.0000423600000000, -0.0002516500000000, -0.0005600200000000 ] - [ 0.0000275600000000, 0.0001479600000000, 0.0008676800000000 ] - [ 0.1289859700000000, 0.0056884100000000, -0.1438845400000000 ] - [ 0.0000902000000000, -0.0007346900000000, 0.0007146600000000 ] - [ -0.0022013600000000, 0.0009607600000000, 0.0000106600000000 ] - [ -0.0007180500000000, 0.0005755400000000, 0.0008526100000000 ] - [ 0.0011338800000000, 0.0009707400000000, -0.0007902800000000 ] - [ 0.0007706600000000, 0.0002857100000000, 0.0008090300000000 ] - [ -0.0015633700000000, -0.0015492900000000, -0.0021220400000000 ] - [ -0.0002978200000000, 0.0005209200000000, 0.0002996600000000 ] - [ -0.0030987200000000, -0.0014454500000000, 0.0011914800000000 ] - [ 0.0004585600000000, -0.0002548000000000, -0.0003629800000000 ] - [ -0.0015963700000000, 0.0023293000000000, -0.0028014800000000 ] - [ -0.0006244600000000, -0.0003723200000000, 0.0001659200000000 ] - [ 0.0053465700000000, 0.0021958200000000, -0.0029485300000000 ] - [ 0.0007762100000000, -0.0011583900000000, 0.0009566000000000 ] - [ -0.0005746800000000, 0.0037397700000000, 0.0034421300000000 ] - [ 0.0006793200000000, 0.0012349000000000, -0.0010578200000000 ] - [ 0.0003590400000000, -0.0010269300000000, 0.0008937600000000 ] - [ 0.0000932100000000, -0.0000811000000000, -0.0010024500000000 ] - [ 0.0065816200000000, -0.0013589800000000, -0.0003086900000000 ] - [ 0.0004915400000000, -0.0000053400000000, -0.0011840200000000 ] - [ -0.1128572400000000, -0.0073533900000000, 0.1053267100000000 ] - [ -0.0006034700000000, -0.0002413800000000, -0.0009230100000000 ] - [ 0.0006656500000000, -0.0025232500000000, 0.0033843700000000 ] - [ -0.0000057900000000, -0.0004832000000000, -0.0005011600000000 ] - [ 0.0034314100000000, 0.0020469800000000, -0.0006369900000000 ] - [ 0.0008039500000000, -0.0013148100000000, -0.0017328400000000 ] - [ 0.0024988900000000, -0.0000783000000000, 0.0007930700000000 ] - [ 0.0018988700000000, -0.0000116400000000, 0.0015634600000000 ] - [ -0.0001635400000000, -0.0003474200000000, 0.0010325300000000 ] - [ -0.0005438100000000, -0.0010049400000000, 0.0013243600000000 ] - [ -0.0059382700000000, 0.0029239100000000, -0.0004947000000000 ] - [ -0.0015392500000000, 0.0011217700000000, 0.0012243800000000 ] - [ 0.0053282800000000, 0.0056397400000000, 0.0057703900000000 ] - [ -0.0017318900000000, 0.0002393400000000, -0.0023110400000000 ] - [ -0.0055377500000000, -0.0020541800000000, 0.0005050200000000 ] - [ -0.0002742800000000, -0.0001204300000000, -0.0003297100000000 ] - [ 0.0067518700000000, -0.0002510300000000, 0.0034345800000000 ] - [ 0.0003537900000000, -0.0000393600000000, -0.0008375900000000 ] - [ -0.0009598800000000, -0.0010293200000000, -0.0017479500000000 ] - [ -0.0030860600000000, -0.0001564700000000, -0.0002117700000000 ] - [ 0.0046552000000000, 0.0005040000000000, -0.0031265600000000 ] - [ 0.0010266700000000, -0.0000911800000000, 0.0003315300000000 ] - [ -0.0009027700000000, -0.0034751200000000, -0.0014708100000000 ] - [ 0.0008213300000000, 0.0012411900000000, -0.0018452500000000 ] - [ 0.0005824700000000, -0.0041043900000000, 0.0002195900000000 ] - [ 0.0000243500000000, -0.0000933800000000, 0.0002584900000000 ]- atom: 37 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.0218349600000000, -0.0042687600000000, 0.0209661800000000 ] - [ 0.0003513200000000, -0.0002205400000000, -0.0003026400000000 ] - [ -0.0031942900000000, -0.0017939600000000, -0.0003778500000000 ] - [ -0.0004639500000000, -0.0004171400000000, -0.0001549400000000 ] - [ -0.0014471200000000, 0.0025212900000000, -0.0005333100000000 ] - [ -0.0002545100000000, 0.0006014500000000, -0.0001765800000000 ] - [ 0.0031937100000000, 0.0012215400000000, 0.0032238900000000 ] - [ -0.0000324000000000, -0.0001972600000000, -0.0007080200000000 ] - [ -0.0051685300000000, -0.0011271400000000, 0.0069343900000000 ] - [ 0.0004168400000000, -0.0001867100000000, 0.0000804500000000 ] - [ -0.0013245900000000, 0.0033003000000000, 0.0015471400000000 ] - [ -0.0001775700000000, 0.0004575500000000, -0.0000448600000000 ] - [ 0.0177977900000000, 0.0093408600000000, -0.0239823600000000 ] - [ 0.0003265100000000, -0.0002412700000000, 0.0003288400000000 ] - [ -0.0060278500000000, 0.0015780400000000, -0.0032740100000000 ] - [ -0.0000846800000000, -0.0003402100000000, 0.0005359000000000 ] - [ -0.0006223600000000, 0.0023833000000000, -0.0006960500000000 ] - [ -0.0004052200000000, 0.0003443600000000, 0.0003061800000000 ] - [ -0.0007999700000000, -0.0024854200000000, -0.0013886800000000 ] - [ -0.0000486200000000, -0.0015141300000000, 0.0005148500000000 ] - [ -0.0018922100000000, 0.0001499000000000, 0.0000777200000000 ] - [ -0.0007023100000000, -0.0001626900000000, 0.0001642200000000 ] - [ -0.0005062800000000, 0.0003842400000000, -0.0006673600000000 ] - [ 0.0001561000000000, 0.0005331700000000, 0.0002389900000000 ] - [ 0.0054460600000000, -0.0088753700000000, 0.0123129500000000 ] - [ 0.0003663900000000, -0.0013500200000000, -0.0012303600000000 ] - [ -0.0018857700000000, 0.0018404100000000, -0.0004738100000000 ] - [ -0.0008125600000000, 0.0002858300000000, 0.0001133700000000 ] - [ 0.0008553100000000, 0.0017003500000000, -0.0002181900000000 ] - [ 0.0004407600000000, 0.0006659700000000, 0.0002343100000000 ] - [ 0.0006564400000000, 0.0004612200000000, 0.0000070900000000 ] - [ 0.0002608200000000, 0.0004151600000000, -0.0006583800000000 ] - [ 0.0005563200000000, -0.0015885400000000, 0.0006704400000000 ] - [ 0.0009597100000000, -0.0001354600000000, -0.0001079600000000 ] - [ -0.0014884100000000, 0.0007006600000000, -0.0008019700000000 ] - [ -0.0006806600000000, 0.0002577700000000, 0.0008385900000000 ] - [ 0.0583967900000000, -0.0713435300000000, -0.0391789900000000 ] - [ -0.0000330000000000, -0.0011501500000000, 0.0003504700000000 ] - [ -0.0038262100000000, 0.0014244100000000, 0.0001528000000000 ] - [ -0.0007474100000000, 0.0005285900000000, 0.0004934400000000 ] - [ 0.0023486700000000, 0.0030674000000000, -0.0001315100000000 ] - [ 0.0007450200000000, 0.0004326900000000, 0.0004339200000000 ] - [ 0.0012712500000000, 0.0006546500000000, -0.0005637600000000 ] - [ 0.0001173000000000, 0.0004618100000000, -0.0004567100000000 ] - [ -0.0008310300000000, -0.0017477800000000, -0.0002928000000000 ] - [ 0.0006000700000000, -0.0004450300000000, -0.0003232600000000 ] - [ -0.0030091800000000, 0.0026996700000000, -0.0025928300000000 ] - [ -0.0008581100000000, -0.0001994400000000, -0.0001427000000000 ] - [ 0.0043979300000000, 0.0035737700000000, -0.0006428600000000 ] - [ 0.0002919400000000, 0.0000295100000000, 0.0004092900000000 ] - [ -0.0047481900000000, 0.0035540800000000, -0.0000023000000000 ] - [ -0.0006961700000000, 0.0019049000000000, 0.0013261600000000 ] - [ -0.0000401900000000, -0.0036785100000000, 0.0005790100000000 ] - [ 0.0001757000000000, -0.0002742700000000, -0.0005744000000000 ] - [ 0.0058654400000000, -0.0017646000000000, -0.0003548900000000 ] - [ 0.0003551700000000, -0.0000777900000000, -0.0006381900000000 ] - [ -0.0502590300000000, 0.0479508300000000, 0.0387213000000000 ] - [ 0.0003496100000000, 0.0007512500000000, -0.0001136300000000 ] - [ 0.0020634100000000, -0.0044237500000000, 0.0032179300000000 ] - [ 0.0005232500000000, -0.0010753800000000, -0.0002653900000000 ] - [ -0.0023876400000000, -0.0027679500000000, -0.0030646300000000 ] - [ 0.0006926100000000, -0.0014772200000000, -0.0015189100000000 ] - [ 0.0030482700000000, -0.0014859200000000, 0.0015441200000000 ] - [ 0.0016354400000000, -0.0002017000000000, 0.0017729900000000 ] - [ -0.0021388800000000, -0.0017235500000000, 0.0015205200000000 ] - [ -0.0008947100000000, -0.0018202900000000, 0.0017231400000000 ] - [ -0.0038638000000000, 0.0102793600000000, -0.0062573200000000 ] - [ -0.0007820200000000, 0.0013511300000000, -0.0001034400000000 ] - [ -0.0028736500000000, 0.0047071700000000, 0.0003818800000000 ] - [ -0.0019586800000000, 0.0001783800000000, -0.0016988600000000 ] - [ -0.0010980400000000, 0.0038146300000000, -0.0025128200000000 ] - [ 0.0000462100000000, 0.0001092000000000, 0.0002566800000000 ] - [ 0.0044302300000000, 0.0006589000000000, 0.0020136800000000 ] - [ 0.0001500100000000, 0.0000980600000000, -0.0004060800000000 ] - [ -0.0000677800000000, -0.0004933400000000, -0.0023594700000000 ] - [ 0.0012998300000000, -0.0003682700000000, 0.0030339500000000 ] - [ 0.0029316900000000, 0.0006339400000000, -0.0020821600000000 ] - [ 0.0006487800000000, 0.0001797600000000, 0.0004345100000000 ] - [ 0.0023753100000000, -0.0042862000000000, -0.0032073300000000 ] - [ 0.0009988500000000, 0.0011259700000000, -0.0012683400000000 ] - [ 0.0032972300000000, 0.0062300800000000, -0.0010050400000000 ] - [ 0.0001284300000000, 0.0001657900000000, 0.0000946400000000 ]- atom: 37 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.0225436000000000, 0.0039970100000000, -0.0211997200000000 ] - [ 0.0005962900000000, 0.0000510200000000, -0.0001261100000000 ] - [ 0.0025884400000000, 0.0010614000000000, -0.0000390000000000 ] - [ -0.0001546700000000, -0.0003210300000000, -0.0002718000000000 ] - [ 0.0011121800000000, -0.0016158800000000, 0.0001190900000000 ] - [ -0.0000808400000000, 0.0003121500000000, -0.0002504000000000 ] - [ -0.0041768800000000, -0.0010500800000000, -0.0028183500000000 ] - [ -0.0009198000000000, 0.0003724800000000, 0.0011247700000000 ] - [ 0.0058250400000000, 0.0018693200000000, -0.0065723400000000 ] - [ 0.0001971400000000, 0.0009268600000000, 0.0003376100000000 ] - [ 0.0016727900000000, -0.0042370100000000, -0.0011598200000000 ] - [ 0.0005131800000000, -0.0013718900000000, 0.0004639400000000 ] - [ -0.0174986900000000, -0.0087439300000000, 0.0242234400000000 ] - [ 0.0001007500000000, 0.0008167200000000, -0.0001515900000000 ] - [ 0.0063599000000000, -0.0022468900000000, 0.0035145100000000 ] - [ 0.0003731800000000, -0.0003232600000000, -0.0003577700000000 ] - [ -0.0001053800000000, -0.0023125500000000, 0.0009021700000000 ] - [ -0.0003128200000000, -0.0002633600000000, -0.0001287900000000 ] - [ 0.0003716200000000, 0.0019040900000000, 0.0012092600000000 ] - [ -0.0003697300000000, 0.0009478000000000, -0.0007058200000000 ] - [ 0.0016158600000000, 0.0005123900000000, -0.0002633500000000 ] - [ 0.0004192900000000, 0.0008241600000000, -0.0003474400000000 ] - [ 0.0012139000000000, -0.0004803100000000, 0.0004767000000000 ] - [ 0.0005629800000000, -0.0006171800000000, -0.0004233600000000 ] - [ -0.0048189300000000, 0.0075286600000000, -0.0123601600000000 ] - [ 0.0001845700000000, 0.0001063700000000, 0.0013154100000000 ] - [ 0.0005352600000000, -0.0017076000000000, 0.0005815500000000 ] - [ -0.0005429200000000, -0.0001432600000000, -0.0000240700000000 ] - [ -0.0000605600000000, -0.0005937100000000, 0.0003263400000000 ] - [ 0.0003598300000000, 0.0004326300000000, -0.0001439100000000 ] - [ -0.0012121300000000, 0.0007819500000000, -0.0001044600000000 ] - [ -0.0008050500000000, 0.0008317700000000, 0.0005614200000000 ] - [ 0.0008044900000000, 0.0014482800000000, -0.0007689800000000 ] - [ 0.0003880000000000, -0.0000087100000000, 0.0000098800000000 ] - [ 0.0006936200000000, -0.0018072300000000, 0.0006919000000000 ] - [ -0.0001091300000000, -0.0013697100000000, -0.0009422300000000 ] - [ -0.0593094300000000, 0.0713656300000000, 0.0408469300000000 ] - [ -0.0000355800000000, -0.0004453100000000, 0.0004364400000000 ] - [ 0.0025087400000000, -0.0005655600000000, 0.0006616900000000 ] - [ -0.0006056600000000, 0.0003269100000000, 0.0002987800000000 ] - [ -0.0009511100000000, -0.0023431400000000, 0.0009492100000000 ] - [ 0.0006718100000000, 0.0003115600000000, 0.0003571700000000 ] - [ -0.0011964000000000, 0.0009478000000000, -0.0002242800000000 ] - [ -0.0000436400000000, 0.0011370400000000, -0.0003535600000000 ] - [ 0.0021894400000000, 0.0008954100000000, -0.0004997600000000 ] - [ 0.0007507300000000, -0.0004161800000000, -0.0004829500000000 ] - [ 0.0015666600000000, -0.0034299800000000, 0.0017912200000000 ] - [ -0.0005587100000000, -0.0005461000000000, -0.0006597900000000 ] - [ -0.0043597900000000, -0.0039208400000000, 0.0014583300000000 ] - [ -0.0002198700000000, -0.0003705000000000, 0.0004161200000000 ] - [ 0.0050236200000000, -0.0033485500000000, 0.0007950400000000 ] - [ 0.0009417100000000, -0.0016886200000000, -0.0004984300000000 ] - [ 0.0003881600000000, 0.0035755100000000, -0.0014357600000000 ] - [ 0.0001576700000000, 0.0001562900000000, -0.0002265400000000 ] - [ -0.0059502000000000, 0.0020944800000000, -0.0004893700000000 ] - [ -0.0004144400000000, 0.0004086900000000, -0.0001638700000000 ] - [ 0.0505841000000000, -0.0486333600000000, -0.0401196100000000 ] - [ -0.0006041100000000, -0.0009726800000000, -0.0006845500000000 ] - [ -0.0023962000000000, 0.0045754000000000, -0.0023831400000000 ] - [ -0.0008637700000000, 0.0011967900000000, 0.0010880800000000 ] - [ 0.0039353300000000, -0.0001512000000000, 0.0001483800000000 ] - [ 0.0008825300000000, -0.0014222200000000, -0.0013740500000000 ] - [ 0.0002361200000000, 0.0013938100000000, 0.0013628300000000 ] - [ 0.0016621400000000, 0.0001114100000000, 0.0011284200000000 ] - [ 0.0004200700000000, -0.0010956900000000, 0.0013859300000000 ] - [ -0.0008315100000000, -0.0009999100000000, 0.0011822100000000 ] - [ 0.0023384600000000, -0.0073637600000000, 0.0089172500000000 ] - [ -0.0007937100000000, 0.0015516500000000, 0.0030527500000000 ] - [ -0.0003547100000000, -0.0046129000000000, -0.0033051200000000 ] - [ -0.0013402800000000, -0.0000904600000000, -0.0011936400000000 ] - [ 0.0014506900000000, -0.0047372000000000, 0.0028118900000000 ] - [ -0.0000464000000000, -0.0001144500000000, 0.0001442600000000 ] - [ -0.0044364500000000, -0.0006484500000000, -0.0024183000000000 ] - [ -0.0001506800000000, -0.0000957100000000, 0.0000216200000000 ] - [ 0.0000702300000000, 0.0004876300000000, 0.0017149600000000 ] - [ -0.0012679600000000, 0.0003431500000000, -0.0036953200000000 ] - [ -0.0029487100000000, -0.0006368600000000, 0.0027496400000000 ] - [ -0.0006475500000000, -0.0001754500000000, 0.0002384400000000 ] - [ -0.0006468100000000, 0.0071056600000000, 0.0002659900000000 ] - [ 0.0007269800000000, 0.0016951700000000, -0.0016208600000000 ] - [ -0.0032666300000000, -0.0061972100000000, 0.0010097000000000 ] - [ -0.0001292400000000, -0.0001691900000000, -0.0001029200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0140418900000000, 0.0022569800000000, 0.0006501000000000 ] - [ 0.0009712700000000, -0.0000472000000000, 0.0017142600000000 ] - [ -0.0008580600000000, -0.0012468200000000, -0.0020917600000000 ] - [ -0.0003509800000000, -0.0002131300000000, 0.0011489300000000 ] - [ -0.0006800500000000, 0.0011229500000000, -0.0020040900000000 ] - [ -0.0000996900000000, 0.0002477200000000, 0.0011665600000000 ] - [ 0.0021001500000000, 0.0050144000000000, 0.0026009500000000 ] - [ -0.0008429500000000, -0.0006309900000000, 0.0022600500000000 ] - [ -0.0108703900000000, 0.0023137100000000, 0.0081822400000000 ] - [ 0.0017531900000000, 0.0002470300000000, 0.0021490000000000 ] - [ 0.0001349100000000, -0.0003623800000000, -0.0001144400000000 ] - [ 0.0001381300000000, -0.0004240100000000, 0.0014635000000000 ] - [ -0.0159581100000000, -0.0243437900000000, 0.0189913200000000 ] - [ 0.0005568700000000, 0.0005294700000000, 0.0020533900000000 ] - [ 0.0037124000000000, -0.0024301500000000, -0.0019645700000000 ] - [ -0.0005077600000000, -0.0001233500000000, 0.0018053400000000 ] - [ -0.0001429700000000, -0.0006290000000000, -0.0018798400000000 ] - [ -0.0001184800000000, 0.0004333400000000, 0.0014794900000000 ] - [ 0.0053348000000000, 0.0023266000000000, 0.0029026700000000 ] - [ -0.0016336000000000, -0.0013083400000000, 0.0020367900000000 ] - [ -0.0025769700000000, 0.0000255700000000, -0.0002975200000000 ] - [ -0.0000589400000000, -0.0000761100000000, 0.0007552600000000 ] - [ 0.0010878300000000, 0.0000073500000000, -0.0004138100000000 ] - [ -0.0000285300000000, 0.0002591300000000, 0.0007505500000000 ] - [ -0.0031371300000000, 0.0115401500000000, 0.0433128800000000 ] - [ 0.0006397500000000, 0.0006555000000000, 0.0058839300000000 ] - [ -0.0002468900000000, -0.0003321100000000, -0.0012920100000000 ] - [ -0.0007910100000000, -0.0000279500000000, 0.0015699400000000 ] - [ 0.0004905800000000, -0.0008130300000000, -0.0014037700000000 ] - [ 0.0002992200000000, 0.0007257600000000, 0.0016841800000000 ] - [ 0.0013780600000000, 0.0021633300000000, 0.0009243300000000 ] - [ -0.0014426300000000, -0.0002955900000000, 0.0010050700000000 ] - [ -0.0006711200000000, -0.0016394100000000, 0.0008941300000000 ] - [ 0.0022570500000000, -0.0000022600000000, 0.0012703200000000 ] - [ 0.0024669000000000, -0.0030592200000000, 0.0006920200000000 ] - [ -0.0019657900000000, 0.0010818300000000, 0.0015848100000000 ] - [ 0.1470746300000000, 0.0353283500000000, -0.3762722500000000 ] - [ -0.0003618000000000, -0.0010420000000000, 0.0045888400000000 ] - [ -0.0012278300000000, -0.0006136500000000, -0.0030635900000000 ] - [ -0.0006395400000000, 0.0008930300000000, 0.0023892900000000 ] - [ 0.0005931800000000, 0.0007426800000000, -0.0030679600000000 ] - [ 0.0010775500000000, 0.0000497900000000, 0.0023906800000000 ] - [ 0.0017620400000000, 0.0015981500000000, -0.0040140900000000 ] - [ -0.0006572500000000, 0.0003411900000000, 0.0019289600000000 ] - [ -0.0015139500000000, -0.0019463100000000, -0.0031361200000000 ] - [ 0.0009373700000000, 0.0000583300000000, 0.0017181400000000 ] - [ 0.0007812900000000, -0.0013562200000000, -0.0031339400000000 ] - [ -0.0007715600000000, -0.0004312800000000, 0.0017215800000000 ] - [ 0.0079935800000000, 0.0054121900000000, 0.0013962900000000 ] - [ -0.0018340300000000, -0.0005837600000000, -0.0025186900000000 ] - [ -0.0070754500000000, -0.0056211800000000, 0.0009403100000000 ] - [ 0.0020101700000000, 0.0019753100000000, -0.0034937500000000 ] - [ 0.0001268600000000, -0.0000181600000000, 0.0039418600000000 ] - [ -0.0001329800000000, 0.0001189100000000, -0.0031879000000000 ] - [ -0.0011457100000000, 0.0029362600000000, 0.0046024900000000 ] - [ 0.0003562600000000, -0.0004502100000000, -0.0032857200000000 ] - [ -0.1088710300000000, -0.0158193300000000, 0.2736117400000000 ] - [ -0.0011383600000000, -0.0014386900000000, -0.0061578100000000 ] - [ -0.0021502500000000, 0.0004238100000000, 0.0023196800000000 ] - [ 0.0009492500000000, -0.0000670600000000, -0.0023619200000000 ] - [ 0.0055806100000000, 0.0023017800000000, 0.0035111400000000 ] - [ 0.0003467400000000, -0.0018568900000000, -0.0039801900000000 ] - [ 0.0017909100000000, -0.0004905100000000, 0.0019123600000000 ] - [ 0.0017861600000000, 0.0001271600000000, 0.0003455400000000 ] - [ -0.0008128600000000, -0.0015797200000000, 0.0021117300000000 ] - [ -0.0008167500000000, -0.0015043900000000, 0.0000571100000000 ] - [ -0.0005829800000000, -0.0052660800000000, 0.0171631300000000 ] - [ -0.0005681600000000, 0.0004016200000000, -0.0069720800000000 ] - [ -0.0083461300000000, -0.0024174500000000, 0.0069256000000000 ] - [ -0.0011147000000000, 0.0006074400000000, -0.0044272000000000 ] - [ 0.0001717900000000, -0.0036606400000000, 0.0101163300000000 ] - [ -0.0000882800000000, 0.0000993400000000, -0.0024863800000000 ] - [ 0.0002255400000000, 0.0004089600000000, 0.0055524000000000 ] - [ 0.0001833200000000, -0.0001276500000000, -0.0026690300000000 ] - [ 0.0004375400000000, -0.0018433600000000, -0.0040029200000000 ] - [ -0.0043316400000000, 0.0040975100000000, -0.0031509000000000 ] - [ 0.0031065900000000, -0.0001382300000000, -0.0009755500000000 ] - [ -0.0009130700000000, 0.0004300600000000, -0.0022050300000000 ] - [ 0.0011528300000000, -0.0021693700000000, 0.0029601300000000 ] - [ 0.0010131300000000, 0.0017037700000000, -0.0042996600000000 ] - [ -0.0008197600000000, -0.0028752100000000, -0.0049561200000000 ] - [ 0.0001595200000000, 0.0003157400000000, 0.0021432500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0149576200000000, -0.0024559900000000, -0.0011840100000000 ] - [ -0.0000329000000000, -0.0001240500000000, -0.0021411500000000 ] - [ 0.0002263800000000, 0.0005088200000000, 0.0016697000000000 ] - [ -0.0002683600000000, -0.0005258700000000, -0.0015712400000000 ] - [ 0.0003459700000000, -0.0002085100000000, 0.0015812000000000 ] - [ -0.0002352500000000, 0.0006659300000000, -0.0015877600000000 ] - [ -0.0030554500000000, -0.0048936200000000, -0.0021739900000000 ] - [ -0.0001080900000000, 0.0008003100000000, -0.0018452500000000 ] - [ 0.0116217900000000, -0.0016463200000000, -0.0078490200000000 ] - [ -0.0011211400000000, 0.0004849000000000, -0.0017290500000000 ] - [ 0.0001868700000000, -0.0005268500000000, 0.0005660000000000 ] - [ 0.0001930600000000, -0.0004822200000000, -0.0010465700000000 ] - [ 0.0161383400000000, 0.0245605900000000, -0.0187027700000000 ] - [ -0.0001310400000000, 0.0000305900000000, -0.0018695500000000 ] - [ -0.0034734400000000, 0.0017903000000000, 0.0021122800000000 ] - [ 0.0007940800000000, -0.0005435400000000, -0.0016210700000000 ] - [ -0.0005721700000000, 0.0007212400000000, 0.0020563400000000 ] - [ -0.0005987200000000, -0.0003474900000000, -0.0012930700000000 ] - [ -0.0058207500000000, -0.0029322300000000, -0.0031037500000000 ] - [ 0.0011954700000000, 0.0007347400000000, -0.0022330400000000 ] - [ 0.0023068700000000, 0.0006357300000000, 0.0001238200000000 ] - [ -0.0002169000000000, 0.0007352900000000, -0.0009496600000000 ] - [ -0.0003810900000000, -0.0000887200000000, 0.0002412800000000 ] - [ 0.0007413900000000, -0.0003465500000000, -0.0009416400000000 ] - [ 0.0036471900000000, -0.0124687100000000, -0.0422232500000000 ] - [ -0.0000880900000000, -0.0019156800000000, -0.0058269800000000 ] - [ -0.0011238500000000, 0.0004937300000000, 0.0013747200000000 ] - [ -0.0005660100000000, 0.0001688100000000, -0.0014678800000000 ] - [ 0.0003183600000000, 0.0019104500000000, 0.0014904400000000 ] - [ 0.0005026800000000, 0.0003748700000000, -0.0015816300000000 ] - [ -0.0019344200000000, -0.0009300600000000, -0.0010109000000000 ] - [ 0.0008899300000000, 0.0015411500000000, -0.0011098100000000 ] - [ 0.0020428000000000, 0.0014962600000000, -0.0009782700000000 ] - [ -0.0008866900000000, -0.0001433500000000, -0.0013758800000000 ] - [ -0.0033161100000000, 0.0019972000000000, -0.0007843500000000 ] - [ 0.0011504100000000, -0.0021771700000000, -0.0016892200000000 ] - [ -0.1375901700000000, -0.0365195100000000, 0.3627227000000000 ] - [ 0.0002924300000000, -0.0005634300000000, -0.0037960100000000 ] - [ -0.0001415800000000, 0.0014781700000000, 0.0038654800000000 ] - [ -0.0007135500000000, -0.0000382900000000, -0.0015986100000000 ] - [ 0.0008320400000000, 0.0000140200000000, 0.0038590100000000 ] - [ 0.0003411700000000, 0.0006947400000000, -0.0015972600000000 ] - [ -0.0016935600000000, -0.0000104900000000, 0.0032425600000000 ] - [ 0.0007267900000000, 0.0012559000000000, -0.0027343000000000 ] - [ 0.0028642900000000, 0.0010884800000000, 0.0023673300000000 ] - [ 0.0004182100000000, -0.0009177200000000, -0.0025189800000000 ] - [ -0.0022005500000000, 0.0006088300000000, 0.0023689000000000 ] - [ -0.0006513600000000, -0.0003117700000000, -0.0025177500000000 ] - [ -0.0079551300000000, -0.0057570000000000, -0.0006346200000000 ] - [ 0.0018809900000000, 0.0002517300000000, 0.0033398300000000 ] - [ 0.0073471100000000, 0.0058958400000000, -0.0001783200000000 ] - [ -0.0017569400000000, -0.0017422400000000, 0.0043154800000000 ] - [ 0.0001961200000000, -0.0000983800000000, -0.0047359300000000 ] - [ 0.0004661200000000, -0.0002383400000000, 0.0023801700000000 ] - [ 0.0011292000000000, -0.0026323200000000, -0.0054129500000000 ] - [ -0.0004185200000000, 0.0007841100000000, 0.0024775800000000 ] - [ 0.0994288400000000, 0.0146640700000000, -0.2597541500000000 ] - [ 0.0009067200000000, 0.0012337300000000, 0.0053695600000000 ] - [ 0.0018515700000000, -0.0003336900000000, -0.0015630400000000 ] - [ -0.0012687400000000, 0.0001800200000000, 0.0031797100000000 ] - [ -0.0040051400000000, -0.0052085800000000, -0.0063942200000000 ] - [ 0.0012287700000000, -0.0010428900000000, 0.0010793800000000 ] - [ 0.0015043200000000, 0.0004016000000000, 0.0009636600000000 ] - [ 0.0015153900000000, -0.0002226100000000, 0.0025668700000000 ] - [ -0.0009117800000000, -0.0012476700000000, 0.0007673100000000 ] - [ -0.0009162800000000, -0.0013190100000000, 0.0028512600000000 ] - [ -0.0011014800000000, 0.0088771400000000, -0.0154626700000000 ] - [ -0.0009974000000000, 0.0025014500000000, 0.0098454000000000 ] - [ 0.0051019000000000, 0.0025690700000000, -0.0097314700000000 ] - [ -0.0021979400000000, -0.0005182500000000, 0.0015334100000000 ] - [ -0.0001513600000000, 0.0036047200000000, -0.0097919800000000 ] - [ 0.0000852300000000, -0.0000972100000000, 0.0028845900000000 ] - [ -0.0002341000000000, -0.0004027200000000, -0.0059694000000000 ] - [ -0.0001787900000000, 0.0001306500000000, 0.0022828900000000 ] - [ -0.0004428900000000, 0.0018535900000000, 0.0033275200000000 ] - [ 0.0043214500000000, -0.0040924800000000, 0.0025133700000000 ] - [ -0.0031126200000000, 0.0001397500000000, 0.0016692700000000 ] - [ 0.0009243900000000, -0.0004293300000000, 0.0028715500000000 ] - [ 0.0005821100000000, 0.0049961100000000, -0.0058382500000000 ] - [ 0.0007187300000000, 0.0011103500000000, 0.0014084200000000 ] - [ 0.0008047800000000, 0.0028272700000000, 0.0049964500000000 ] - [ -0.0001575100000000, -0.0003114400000000, -0.0021448300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041111200000000, 0.0008133200000000, 0.0000673100000000 ] - [ -0.0054354100000000, 0.0005943200000000, 0.0010268900000000 ] - [ 0.0007327200000000, 0.0014148500000000, -0.0028002900000000 ] - [ 0.0017056800000000, 0.0014974000000000, 0.0050685900000000 ] - [ 0.0001867000000000, -0.0015370900000000, -0.0008586100000000 ] - [ 0.0016553000000000, -0.0021524200000000, 0.0005678200000000 ] - [ -0.0106228900000000, -0.0000957400000000, 0.0007579400000000 ] - [ -0.0008661800000000, 0.0000481900000000, 0.0002142600000000 ] - [ 0.2113805500000000, 0.1144981400000000, -0.0066283100000000 ] - [ 0.0007448000000000, 0.0005403500000000, 0.0000574600000000 ] - [ 0.0013031100000000, -0.0108755300000000, 0.0003791500000000 ] - [ 0.0002770800000000, -0.0005639900000000, 0.0002095800000000 ] - [ -0.0013605800000000, -0.0004510600000000, 0.0020625000000000 ] - [ -0.0026931400000000, 0.0006935100000000, -0.0019303000000000 ] - [ 0.0027519600000000, 0.0001175600000000, 0.0004132400000000 ] - [ 0.0070625600000000, -0.0020583200000000, -0.0030953700000000 ] - [ -0.0005031700000000, -0.0013980800000000, 0.0007461400000000 ] - [ -0.0001290900000000, -0.0029316500000000, -0.0017977600000000 ] - [ -0.0090035200000000, 0.0002135900000000, -0.0006703100000000 ] - [ -0.0006030800000000, -0.0002948200000000, -0.0000909000000000 ] - [ 0.2190694100000000, -0.1015971400000000, -0.0463766500000000 ] - [ 0.0001436800000000, 0.0002793900000000, -0.0003221800000000 ] - [ -0.0047958800000000, -0.0092309700000000, -0.0004697400000000 ] - [ 0.0002535400000000, -0.0002905500000000, -0.0002350200000000 ] - [ 0.0007800900000000, 0.0004232300000000, 0.0021890000000000 ] - [ -0.0038844500000000, 0.0006586500000000, -0.0059993200000000 ] - [ -0.0003717200000000, 0.0007405300000000, -0.0003857700000000 ] - [ 0.0020262800000000, 0.0024434600000000, 0.0039994800000000 ] - [ 0.0002677500000000, -0.0000805500000000, 0.0000412000000000 ] - [ 0.0004677000000000, 0.0012050400000000, -0.0007718200000000 ] - [ -0.0065888200000000, 0.0027952600000000, -0.0001037300000000 ] - [ -0.0005600600000000, 0.0006345400000000, -0.0002484600000000 ] - [ 0.0664330100000000, -0.0303363600000000, 0.0281952900000000 ] - [ 0.0006883900000000, 0.0000859600000000, -0.0009520100000000 ] - [ -0.0033133400000000, -0.0003514200000000, -0.0005805600000000 ] - [ -0.0005269400000000, -0.0004872700000000, -0.0001337400000000 ] - [ -0.0053324300000000, 0.0011816600000000, 0.0083437800000000 ] - [ -0.0007730000000000, -0.0009371400000000, -0.0014496600000000 ] - [ 0.0047503700000000, 0.0013131800000000, -0.0009778500000000 ] - [ 0.0012797200000000, 0.0000953000000000, 0.0010651400000000 ] - [ -0.0002452000000000, -0.0022766500000000, 0.0010752800000000 ] - [ 0.0004677100000000, -0.0002121900000000, -0.0000500600000000 ] - [ -0.0065990900000000, 0.0038151800000000, -0.0015344800000000 ] - [ -0.0004879200000000, 0.0009542500000000, -0.0000152500000000 ] - [ 0.0673981700000000, 0.0183893300000000, 0.0380164100000000 ] - [ 0.0011978100000000, -0.0005796100000000, -0.0010496800000000 ] - [ -0.0032399700000000, -0.0026870400000000, -0.0004218700000000 ] - [ -0.0008429800000000, -0.0005163300000000, -0.0004058300000000 ] - [ -0.6097044300000000, -0.0075101600000000, -0.0208273000000000 ] - [ -0.0005073200000000, -0.0004662300000000, 0.0010370000000000 ] - [ 0.0157911000000000, -0.0040688600000000, 0.0002087500000000 ] - [ 0.0008351300000000, 0.0002017100000000, 0.0002204800000000 ] - [ 0.0007692100000000, 0.0034077600000000, -0.0009024400000000 ] - [ 0.0006113300000000, 0.0029574000000000, 0.0008243100000000 ] - [ -0.0039244800000000, -0.0020379400000000, 0.0018997900000000 ] - [ -0.0106972000000000, 0.0001365000000000, -0.0062973900000000 ] - [ 0.0047853100000000, -0.0010885200000000, -0.0075069500000000 ] - [ 0.0067887000000000, 0.0005922600000000, 0.0046183400000000 ] - [ 0.0073424200000000, 0.0089708000000000, 0.0018672400000000 ] - [ 0.0000517600000000, 0.0002538900000000, 0.0004472500000000 ] - [ 0.0019289300000000, -0.0021643100000000, -0.0001925200000000 ] - [ 0.0030780500000000, -0.0024053800000000, -0.0027809300000000 ] - [ -0.0018300900000000, -0.0191074000000000, 0.0054300600000000 ] - [ 0.0017024600000000, -0.0003687100000000, 0.0014935800000000 ] - [ -0.0044712800000000, 0.0018560300000000, -0.0017994600000000 ] - [ -0.0008945600000000, -0.0012117600000000, 0.0018038600000000 ] - [ 0.0244812100000000, -0.0118004200000000, 0.0019065800000000 ] - [ -0.0006876300000000, 0.0012498800000000, 0.0016752600000000 ] - [ -0.0053267100000000, -0.0016573700000000, -0.0005337600000000 ] - [ -0.0033314500000000, -0.0010737700000000, 0.0041828600000000 ] - [ 0.0061000800000000, 0.0133542500000000, -0.0128102000000000 ] - [ -0.0004431200000000, 0.0004073400000000, 0.0012641900000000 ] - [ 0.0206643800000000, 0.0074750600000000, 0.0190412900000000 ] - [ 0.0004634200000000, 0.0007897400000000, -0.0012865100000000 ] - [ 0.0063945200000000, 0.0152997900000000, 0.0140787900000000 ] - [ -0.0004493700000000, 0.0002381500000000, -0.0009054500000000 ] - [ 0.0006953600000000, 0.0003142100000000, 0.0013944100000000 ] - [ 0.0174767200000000, 0.0093681200000000, -0.0189315500000000 ] - [ 0.0010844800000000, 0.0010585400000000, -0.0011170700000000 ] - [ 0.0008655200000000, 0.0003431800000000, -0.0017743000000000 ] - [ 0.0003631400000000, 0.0025981400000000, 0.0004773900000000 ] - [ -0.0001396800000000, 0.0005838400000000, -0.0003464700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050516300000000, -0.0009829000000000, -0.0004968000000000 ] - [ 0.0063764500000000, -0.0007593500000000, -0.0014304500000000 ] - [ -0.0013326800000000, -0.0021429100000000, 0.0023823000000000 ] - [ -0.0023081700000000, -0.0022176400000000, -0.0054850300000000 ] - [ -0.0005091000000000, 0.0024322000000000, 0.0004357000000000 ] - [ -0.0019745000000000, 0.0030511500000000, -0.0009803200000000 ] - [ 0.0096565600000000, 0.0002887400000000, -0.0003353100000000 ] - [ -0.0000801500000000, 0.0001239300000000, 0.0001998600000000 ] - [ -0.2210170800000000, -0.1232276100000000, 0.0074149700000000 ] - [ -0.0001286700000000, 0.0001915100000000, 0.0003566500000000 ] - [ -0.0009877200000000, 0.0099144800000000, 0.0000333900000000 ] - [ 0.0000539800000000, -0.0003443500000000, 0.0002038700000000 ] - [ 0.0017914200000000, 0.0010357600000000, -0.0018794600000000 ] - [ 0.0031235600000000, -0.0001070700000000, 0.0021220100000000 ] - [ -0.0024745600000000, -0.0007913700000000, -0.0002083000000000 ] - [ -0.0067989100000000, 0.0013890600000000, 0.0032734200000000 ] - [ -0.0002125000000000, 0.0014812900000000, -0.0005502100000000 ] - [ -0.0005794800000000, 0.0030128500000000, 0.0019873500000000 ] - [ 0.0085576300000000, -0.0007439700000000, 0.0004845300000000 ] - [ 0.0001690000000000, -0.0002684800000000, -0.0001040400000000 ] - [ -0.2083435600000000, 0.0941196600000000, 0.0426898900000000 ] - [ -0.0004153000000000, 0.0003822500000000, 0.0001264900000000 ] - [ 0.0054472200000000, 0.0090566000000000, 0.0002685100000000 ] - [ 0.0004633000000000, 0.0001986600000000, 0.0000413300000000 ] - [ -0.0002389500000000, -0.0016857200000000, -0.0020969800000000 ] - [ 0.0044524800000000, -0.0019086700000000, 0.0061547200000000 ] - [ -0.0009935700000000, -0.0005960100000000, 0.0004921100000000 ] - [ -0.0033907500000000, -0.0023101700000000, -0.0039039700000000 ] - [ 0.0005449300000000, 0.0011883000000000, 0.0000637300000000 ] - [ 0.0003527000000000, -0.0000893900000000, 0.0008690900000000 ] - [ 0.0060619800000000, -0.0015388600000000, 0.0000026100000000 ] - [ 0.0000082900000000, 0.0006231400000000, 0.0001399200000000 ] - [ -0.0644805600000000, 0.0293349300000000, -0.0276537600000000 ] - [ 0.0006841100000000, -0.0002381800000000, 0.0008523000000000 ] - [ 0.0024936500000000, -0.0007810900000000, 0.0004814500000000 ] - [ -0.0002840000000000, -0.0006226500000000, 0.0000247000000000 ] - [ 0.0052938100000000, -0.0027825400000000, -0.0076101100000000 ] - [ 0.0007061900000000, -0.0006637200000000, 0.0022579600000000 ] - [ -0.0061053700000000, -0.0004696000000000, 0.0017766900000000 ] - [ -0.0026422800000000, 0.0007586900000000, -0.0002779400000000 ] - [ 0.0016658300000000, 0.0030322300000000, -0.0002782100000000 ] - [ 0.0009555200000000, 0.0009667700000000, 0.0008405200000000 ] - [ 0.0066457900000000, -0.0021901100000000, 0.0007486400000000 ] - [ 0.0005503600000000, 0.0006528500000000, -0.0007837600000000 ] - [ -0.0666749300000000, -0.0197326900000000, -0.0396352000000000 ] - [ 0.0001701400000000, -0.0002752100000000, 0.0002520600000000 ] - [ 0.0018060300000000, 0.0019107100000000, -0.0003786800000000 ] - [ -0.0005786800000000, -0.0002406700000000, -0.0003871200000000 ] - [ 0.6090660900000000, 0.0262735900000000, 0.0248954200000000 ] - [ 0.0005708800000000, 0.0001364500000000, -0.0002247700000000 ] - [ -0.0155423500000000, 0.0042286200000000, 0.0005665700000000 ] - [ -0.0005826200000000, 0.0000242700000000, 0.0005898100000000 ] - [ -0.0004420500000000, -0.0035094000000000, 0.0000896900000000 ] - [ -0.0002872000000000, -0.0030658300000000, -0.0016223000000000 ] - [ 0.0038375400000000, 0.0023827400000000, -0.0027263500000000 ] - [ 0.0106186900000000, 0.0002040000000000, 0.0055244800000000 ] - [ -0.0050450700000000, 0.0008547400000000, 0.0067486100000000 ] - [ -0.0070531800000000, -0.0008564000000000, -0.0054554900000000 ] - [ -0.0075969300000000, -0.0087927200000000, -0.0010353600000000 ] - [ -0.0003839800000000, -0.0001349800000000, 0.0003604200000000 ] - [ -0.0003457800000000, -0.0007381900000000, -0.0026944200000000 ] - [ -0.0014998800000000, -0.0004993400000000, -0.0001088000000000 ] - [ 0.0051193000000000, 0.0190170700000000, -0.0025577800000000 ] - [ 0.0016003200000000, 0.0002832600000000, 0.0014056900000000 ] - [ 0.0027037500000000, -0.0047379300000000, 0.0047028300000000 ] - [ -0.0008324800000000, -0.0016167900000000, 0.0010941400000000 ] - [ -0.0263467600000000, 0.0148208300000000, 0.0009843900000000 ] - [ -0.0008911200000000, 0.0016523500000000, 0.0012223000000000 ] - [ 0.0020422700000000, 0.0017370700000000, -0.0023612400000000 ] - [ 0.0000553500000000, 0.0011504100000000, -0.0070765000000000 ] - [ -0.0060961900000000, -0.0133940700000000, 0.0132049200000000 ] - [ 0.0004459200000000, -0.0004113500000000, -0.0008612100000000 ] - [ -0.0204310000000000, -0.0074413200000000, -0.0192128800000000 ] - [ -0.0004687000000000, -0.0007880200000000, 0.0008883300000000 ] - [ -0.0063967700000000, -0.0153525800000000, -0.0147601400000000 ] - [ 0.0004518700000000, -0.0002393800000000, 0.0002264400000000 ] - [ -0.0006980700000000, -0.0003144600000000, -0.0007090300000000 ] - [ -0.0173638100000000, -0.0093739200000000, 0.0194471000000000 ] - [ 0.0006384400000000, 0.0017774200000000, -0.0017698700000000 ] - [ 0.0008585800000000, 0.0024955200000000, -0.0011273000000000 ] - [ -0.0003729600000000, -0.0026232900000000, -0.0004928300000000 ] - [ 0.0001368500000000, -0.0005832000000000, 0.0003440500000000 ]- atom: 49 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.0016961700000000, 0.0000252600000000, 0.0006001200000000 ] - [ 0.0052913300000000, -0.0001995000000000, -0.0015825500000000 ] - [ -0.0009266300000000, 0.0014746100000000, 0.0015588800000000 ] - [ -0.0006324200000000, -0.0006220200000000, -0.0057109300000000 ] - [ -0.0018445400000000, -0.0002301600000000, -0.0011785300000000 ] - [ -0.0046278500000000, 0.0008361600000000, 0.0013522800000000 ] - [ 0.0014197800000000, -0.0036209700000000, 0.0003137900000000 ] - [ -0.0002806400000000, -0.0000691800000000, 0.0001172100000000 ] - [ -0.0029826000000000, 0.0725394600000000, -0.0014327500000000 ] - [ 0.0004310900000000, 0.0009499800000000, 0.0002160200000000 ] - [ -0.0015227600000000, -0.0032853100000000, 0.0004467800000000 ] - [ -0.0000259300000000, -0.0007545000000000, 0.0000451400000000 ] - [ 0.0004280800000000, 0.0004218900000000, 0.0003774200000000 ] - [ 0.0009427900000000, 0.0013827200000000, -0.0003204900000000 ] - [ -0.0008592500000000, 0.0023427200000000, 0.0008961300000000 ] - [ -0.0031913700000000, 0.0036903200000000, -0.0028593900000000 ] - [ -0.0016165600000000, -0.0009972400000000, 0.0000562700000000 ] - [ -0.0027309400000000, -0.0014199900000000, -0.0003128800000000 ] - [ 0.0062437900000000, 0.0001950500000000, 0.0004212000000000 ] - [ -0.0000624300000000, -0.0001701700000000, -0.0001867300000000 ] - [ -0.1837429400000000, 0.1537852900000000, 0.0435720700000000 ] - [ -0.0005843000000000, 0.0010107000000000, 0.0001252800000000 ] - [ -0.0055566200000000, 0.0027244300000000, 0.0001888200000000 ] - [ 0.0000261900000000, -0.0000139700000000, -0.0001742500000000 ] - [ 0.0014128000000000, 0.0000928100000000, 0.0002219200000000 ] - [ 0.0059164900000000, 0.0027229400000000, 0.0027741700000000 ] - [ 0.0000362800000000, -0.0008168300000000, 0.0024847200000000 ] - [ -0.0015735800000000, -0.0032228200000000, -0.0056431400000000 ] - [ 0.0002254400000000, 0.0001752700000000, -0.0003871600000000 ] - [ -0.0017604300000000, -0.0032607800000000, 0.0035421200000000 ] - [ 0.0044780600000000, -0.0029101500000000, -0.0009617900000000 ] - [ -0.0001518700000000, 0.0004224500000000, -0.0001163500000000 ] - [ -0.0580395000000000, 0.1763807200000000, -0.1209940200000000 ] - [ 0.0005565500000000, 0.0003961100000000, -0.0005935400000000 ] - [ -0.0003221900000000, -0.0017521000000000, 0.0001105000000000 ] - [ -0.0002856000000000, -0.0006507000000000, -0.0000935000000000 ] - [ 0.0005732200000000, 0.0007827100000000, 0.0012525600000000 ] - [ 0.0011904400000000, -0.0000373000000000, 0.0009692900000000 ] - [ -0.0012089300000000, -0.0024843600000000, 0.0089518600000000 ] - [ -0.0018193700000000, -0.0003527700000000, -0.0021511500000000 ] - [ -0.0006941600000000, -0.0013996500000000, -0.0016052700000000 ] - [ 0.0001776000000000, -0.0001218700000000, 0.0015070600000000 ] - [ 0.0046711000000000, -0.0018708600000000, 0.0025891700000000 ] - [ 0.0004464800000000, 0.0005675100000000, -0.0011343300000000 ] - [ -0.0156356500000000, 0.0809451800000000, 0.0649033600000000 ] - [ -0.0003091400000000, 0.0005363800000000, 0.0012594600000000 ] - [ -0.0002981000000000, -0.0003470800000000, -0.0004297500000000 ] - [ -0.0007912600000000, -0.0003316200000000, -0.0007028100000000 ] - [ 0.2831279900000000, -0.5073546799999999, 0.0154842800000000 ] - [ 0.0000394800000000, -0.0018846500000000, -0.0001060600000000 ] - [ -0.0082574800000000, 0.0039074600000000, 0.0000961500000000 ] - [ -0.0002723300000000, 0.0001366800000000, 0.0009030900000000 ] - [ 0.0014375500000000, 0.0010611500000000, 0.0010665400000000 ] - [ 0.0048833900000000, 0.0019235500000000, -0.0038833200000000 ] - [ -0.0000040400000000, -0.0038075800000000, -0.0092128100000000 ] - [ 0.0052655300000000, 0.0011548000000000, 0.0094085900000000 ] - [ -0.0020036000000000, -0.0004935400000000, -0.0007295600000000 ] - [ -0.0052970900000000, -0.0025787300000000, -0.0026004200000000 ] - [ 0.0007436300000000, 0.0044134800000000, 0.0004252000000000 ] - [ 0.0000145700000000, 0.0004500700000000, 0.0006538800000000 ] - [ 0.0005067800000000, 0.0008862800000000, -0.0027530700000000 ] - [ -0.0017249500000000, 0.0012596000000000, 0.0001547500000000 ] - [ -0.0057391800000000, 0.0288913500000000, -0.0027421600000000 ] - [ 0.0012556200000000, 0.0004010500000000, 0.0017645300000000 ] - [ 0.0074796000000000, 0.0271243900000000, 0.0071478300000000 ] - [ -0.0006967800000000, -0.0011290100000000, 0.0013635500000000 ] - [ -0.0201101100000000, -0.0027585000000000, 0.0033188500000000 ] - [ -0.0011511600000000, 0.0012485500000000, 0.0013964600000000 ] - [ -0.0042090800000000, 0.0000521500000000, 0.0061217300000000 ] - [ -0.0032477700000000, -0.0027419800000000, -0.0179629500000000 ] - [ 0.0038118500000000, 0.0024076000000000, -0.0032727000000000 ] - [ 0.0010323800000000, 0.0002255300000000, 0.0007687800000000 ] - [ -0.0041854400000000, -0.0120848300000000, -0.0143160000000000 ] - [ 0.0002872800000000, -0.0015903400000000, 0.0009397900000000 ] - [ 0.0055350200000000, 0.0032436100000000, 0.0037279000000000 ] - [ 0.0002809100000000, 0.0000893000000000, -0.0004990400000000 ] - [ 0.0004143600000000, -0.0007400900000000, 0.0001008000000000 ] - [ -0.0061686600000000, -0.0149664300000000, 0.0147556400000000 ] - [ -0.0002257700000000, 0.0025189400000000, -0.0017338400000000 ] - [ 0.0007341500000000, 0.0032596000000000, -0.0004694700000000 ] - [ 0.0034754900000000, -0.0047121400000000, -0.0023545600000000 ] - [ 0.0008817300000000, -0.0012713700000000, 0.0007553000000000 ]- atom: 49 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.0007415800000000, -0.0001931800000000, -0.0010153200000000 ] - [ -0.0043390700000000, 0.0000307200000000, 0.0011546000000000 ] - [ 0.0003025900000000, -0.0022419000000000, -0.0019842100000000 ] - [ 0.0000131600000000, -0.0001320200000000, 0.0052843200000000 ] - [ 0.0015173900000000, 0.0011679200000000, 0.0007727800000000 ] - [ 0.0043025400000000, 0.0000932300000000, -0.0017901000000000 ] - [ -0.0023898200000000, 0.0037741400000000, 0.0001184700000000 ] - [ -0.0006714700000000, 0.0002395200000000, 0.0003005900000000 ] - [ 0.0045898200000000, -0.0707127800000000, 0.0017487000000000 ] - [ 0.0001877600000000, -0.0002166700000000, 0.0002009100000000 ] - [ 0.0018723600000000, 0.0023975200000000, -0.0000162100000000 ] - [ 0.0003609100000000, -0.0001540900000000, 0.0003704400000000 ] - [ -0.0000017300000000, 0.0001489200000000, -0.0001929300000000 ] - [ -0.0005138600000000, -0.0008123500000000, 0.0005043400000000 ] - [ 0.0011585400000000, -0.0030330600000000, -0.0007149100000000 ] - [ 0.0034832800000000, -0.0043736100000000, 0.0030430400000000 ] - [ 0.0009076100000000, 0.0010868100000000, 0.0001246100000000 ] - [ 0.0020227900000000, 0.0015070500000000, 0.0004965600000000 ] - [ -0.0066509600000000, -0.0007738700000000, -0.0005952600000000 ] - [ -0.0003681700000000, -0.0004029100000000, -0.0000019600000000 ] - [ 0.1966440700000000, -0.1600878000000000, -0.0476298900000000 ] - [ 0.0003072800000000, -0.0003557200000000, -0.0003168700000000 ] - [ 0.0062647300000000, -0.0027921700000000, -0.0003705100000000 ] - [ 0.0006910300000000, -0.0000709400000000, -0.0000151100000000 ] - [ -0.0008642500000000, -0.0013355200000000, -0.0001288000000000 ] - [ -0.0053625200000000, -0.0039525900000000, -0.0026613800000000 ] - [ -0.0013956900000000, 0.0009512800000000, -0.0024242800000000 ] - [ 0.0002158600000000, 0.0033633700000000, 0.0057741700000000 ] - [ 0.0005752300000000, 0.0009302400000000, 0.0004727300000000 ] - [ 0.0025635700000000, 0.0043787200000000, -0.0034375800000000 ] - [ -0.0050259000000000, 0.0041247200000000, 0.0008729400000000 ] - [ -0.0003994900000000, 0.0008230600000000, 0.0000119900000000 ] - [ 0.0585811100000000, -0.1699853800000000, 0.1130973600000000 ] - [ 0.0008038200000000, -0.0005447000000000, 0.0004971200000000 ] - [ -0.0004713700000000, 0.0006597700000000, -0.0001976300000000 ] - [ -0.0005170000000000, -0.0004475500000000, -0.0000127100000000 ] - [ -0.0006504200000000, -0.0023659900000000, -0.0004518300000000 ] - [ -0.0012602400000000, -0.0015622800000000, -0.0001720200000000 ] - [ -0.0001223800000000, 0.0033390100000000, -0.0082399000000000 ] - [ 0.0004683800000000, 0.0012030800000000, 0.0029481500000000 ] - [ 0.0020979900000000, 0.0021424400000000, 0.0023901800000000 ] - [ 0.0012393900000000, 0.0008721100000000, -0.0007164300000000 ] - [ -0.0046228000000000, 0.0034476200000000, -0.0033682100000000 ] - [ -0.0003767800000000, 0.0010290200000000, 0.0003274900000000 ] - [ 0.0175838100000000, -0.0824101900000000, -0.0655157800000000 ] - [ 0.0016674900000000, -0.0013986800000000, -0.0020720600000000 ] - [ -0.0011023600000000, -0.0003854500000000, -0.0003538900000000 ] - [ -0.0006267000000000, -0.0004114800000000, -0.0000991800000000 ] - [ -0.2971061000000000, 0.5068386100000000, -0.0029785000000000 ] - [ 0.0000231600000000, 0.0015556800000000, 0.0009354300000000 ] - [ 0.0085152000000000, -0.0036576400000000, 0.0006791600000000 ] - [ 0.0005292500000000, 0.0000951700000000, -0.0000783500000000 ] - [ -0.0010965000000000, -0.0012086700000000, -0.0018698400000000 ] - [ -0.0045490400000000, -0.0020697300000000, 0.0030770900000000 ] - [ -0.0000537200000000, 0.0042282300000000, 0.0084797800000000 ] - [ -0.0053333200000000, -0.0007782500000000, -0.0102380100000000 ] - [ 0.0017416400000000, 0.0002719700000000, -0.0000871200000000 ] - [ 0.0050356800000000, 0.0023488800000000, 0.0017874400000000 ] - [ -0.0010905200000000, -0.0043200400000000, 0.0003723300000000 ] - [ -0.0003517000000000, -0.0003347700000000, 0.0001682100000000 ] - [ 0.0010881200000000, -0.0037653900000000, -0.0001309000000000 ] - [ 0.0033046600000000, -0.0041579700000000, -0.0030541200000000 ] - [ 0.0091490300000000, -0.0291549900000000, 0.0056092200000000 ] - [ 0.0020460700000000, -0.0004911200000000, 0.0011513600000000 ] - [ -0.0090842700000000, -0.0297201800000000, -0.0042771200000000 ] - [ -0.0010312200000000, -0.0016945400000000, 0.0015479800000000 ] - [ 0.0183392700000000, 0.0056247800000000, -0.0004361000000000 ] - [ -0.0004215300000000, 0.0016499500000000, 0.0015131800000000 ] - [ 0.0009254000000000, 0.0000002100000000, -0.0090090100000000 ] - [ -0.0000355000000000, 0.0028342600000000, 0.0150567100000000 ] - [ -0.0038329900000000, -0.0023740600000000, 0.0036605000000000 ] - [ -0.0010360900000000, -0.0002272200000000, -0.0003687600000000 ] - [ 0.0041981400000000, 0.0121462500000000, 0.0139371400000000 ] - [ -0.0002897500000000, 0.0015959500000000, -0.0013206100000000 ] - [ -0.0055598100000000, -0.0032185800000000, -0.0044116000000000 ] - [ -0.0002852800000000, -0.0000879600000000, -0.0001595700000000 ] - [ -0.0004129100000000, 0.0007455700000000, 0.0005690800000000 ] - [ 0.0061529000000000, 0.0149809800000000, -0.0140824000000000 ] - [ 0.0019254200000000, 0.0002801600000000, -0.0011484800000000 ] - [ 0.0009875900000000, -0.0004462000000000, -0.0024356700000000 ] - [ -0.0034540700000000, 0.0046773800000000, 0.0022861200000000 ] - [ -0.0008851500000000, 0.0012758500000000, -0.0007610900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000282700000000, -0.0002399200000000, -0.0016660000000000 ] - [ -0.0002690700000000, -0.0001601100000000, -0.0017501300000000 ] - [ -0.0032332700000000, 0.0032478100000000, -0.0040404200000000 ] - [ 0.0016543500000000, -0.0020583700000000, -0.0021852300000000 ] - [ -0.0029630700000000, -0.0043242600000000, -0.0049896300000000 ] - [ 0.0022020800000000, 0.0034447000000000, -0.0034604900000000 ] - [ -0.0000081300000000, 0.0007015900000000, 0.0025761500000000 ] - [ -0.0003053800000000, 0.0000542900000000, -0.0019249200000000 ] - [ -0.0029871500000000, -0.0040289000000000, 0.0603774900000000 ] - [ 0.0003169100000000, 0.0004179000000000, -0.0025529000000000 ] - [ 0.0003982000000000, -0.0003125100000000, 0.0029136100000000 ] - [ 0.0000397000000000, -0.0003974800000000, -0.0019216100000000 ] - [ 0.0005611900000000, 0.0012447100000000, -0.0008409500000000 ] - [ -0.0003221300000000, -0.0009817200000000, -0.0001122800000000 ] - [ 0.0009085100000000, 0.0043561900000000, -0.0046355900000000 ] - [ 0.0002421800000000, -0.0066632900000000, -0.0050163100000000 ] - [ -0.0008572200000000, -0.0015464200000000, -0.0005958100000000 ] - [ 0.0006858600000000, 0.0010592200000000, 0.0004124900000000 ] - [ 0.0011239200000000, -0.0007517300000000, 0.0032775300000000 ] - [ -0.0005371100000000, 0.0001856200000000, -0.0022051100000000 ] - [ -0.0439237700000000, 0.0268055300000000, 0.0734164600000000 ] - [ 0.0002603900000000, 0.0003417700000000, -0.0029888500000000 ] - [ 0.0014586600000000, 0.0005813900000000, 0.0070657200000000 ] - [ 0.0000223000000000, -0.0005669000000000, -0.0024394500000000 ] - [ 0.0020931700000000, -0.0004328600000000, -0.0023376000000000 ] - [ -0.0049818800000000, -0.0026607700000000, -0.0021377300000000 ] - [ -0.0014624800000000, 0.0027786600000000, -0.0033487500000000 ] - [ 0.0004464700000000, -0.0027096800000000, 0.0005548900000000 ] - [ 0.0014388900000000, -0.0010699500000000, -0.0020769700000000 ] - [ 0.0020869800000000, 0.0039895600000000, -0.0014607100000000 ] - [ 0.0007731300000000, 0.0006694100000000, 0.0027608200000000 ] - [ -0.0006109700000000, 0.0005761200000000, -0.0028175800000000 ] - [ 0.0276853500000000, -0.1134142000000000, 0.1768779700000000 ] - [ 0.0001063300000000, 0.0006264900000000, -0.0058420100000000 ] - [ -0.0015356600000000, -0.0000548700000000, 0.0031451900000000 ] - [ -0.0002166800000000, -0.0006591400000000, -0.0027217000000000 ] - [ 0.0033419600000000, -0.0000631400000000, 0.0014216600000000 ] - [ -0.0005853700000000, -0.0011221200000000, -0.0025260600000000 ] - [ -0.0010745200000000, 0.0041854000000000, 0.0009654200000000 ] - [ 0.0002276900000000, -0.0017751400000000, -0.0034882300000000 ] - [ 0.0008867400000000, -0.0029580400000000, 0.0023573600000000 ] - [ 0.0004862200000000, 0.0012792800000000, -0.0023729700000000 ] - [ -0.0000514500000000, 0.0008173700000000, 0.0046119200000000 ] - [ 0.0008166100000000, 0.0009740600000000, -0.0032836200000000 ] - [ 0.0420014100000000, 0.1011365100000000, 0.2738021700000000 ] - [ 0.0009577200000000, -0.0011964900000000, -0.0061585100000000 ] - [ -0.0004147200000000, -0.0017003700000000, 0.0039422600000000 ] - [ -0.0011339400000000, 0.0000771200000000, -0.0031840500000000 ] - [ -0.0246255500000000, -0.0117376800000000, -0.5916323800000000 ] - [ 0.0006640600000000, -0.0004023500000000, 0.0078155600000000 ] - [ -0.0013557800000000, 0.0009406200000000, -0.0057153300000000 ] - [ -0.0001615000000000, 0.0000027800000000, 0.0047120600000000 ] - [ -0.0001622700000000, 0.0083531000000000, 0.0019664500000000 ] - [ -0.0020418500000000, -0.0045878400000000, 0.0033116600000000 ] - [ 0.0022922400000000, -0.0087298300000000, 0.0062620700000000 ] - [ -0.0058869700000000, 0.0080402800000000, 0.0051212500000000 ] - [ -0.0011047300000000, -0.0012494500000000, 0.0019914500000000 ] - [ 0.0021245900000000, 0.0025951700000000, 0.0032987000000000 ] - [ -0.0004642900000000, 0.0004311000000000, -0.0057125800000000 ] - [ 0.0003239900000000, -0.0000171600000000, 0.0047111800000000 ] - [ 0.0014630700000000, -0.0015078900000000, -0.0009004800000000 ] - [ 0.0008408500000000, -0.0019302100000000, -0.0004732900000000 ] - [ 0.0024360100000000, 0.0048339100000000, -0.0070568500000000 ] - [ 0.0017812200000000, -0.0007586900000000, 0.0057678400000000 ] - [ -0.0051207400000000, -0.0023815700000000, -0.0213073000000000 ] - [ -0.0013613400000000, -0.0010221500000000, 0.0055328300000000 ] - [ 0.0024666900000000, 0.0030180300000000, -0.0099700000000000 ] - [ -0.0005398100000000, 0.0018154100000000, 0.0054805200000000 ] - [ -0.0112708700000000, 0.0055680500000000, 0.0227372300000000 ] - [ 0.0021278000000000, -0.0037118800000000, 0.0195551500000000 ] - [ -0.0050503500000000, -0.0043309800000000, -0.0025055300000000 ] - [ 0.0010022100000000, 0.0006813900000000, 0.0038961900000000 ] - [ 0.0234189600000000, -0.0037737900000000, -0.0034805700000000 ] - [ -0.0006842500000000, 0.0000538400000000, 0.0036357400000000 ] - [ 0.0044538300000000, 0.0042874400000000, -0.0042723500000000 ] - [ -0.0010502800000000, -0.0006088300000000, 0.0039568400000000 ] - [ 0.0014853800000000, -0.0000904700000000, 0.0057087200000000 ] - [ -0.0162419500000000, -0.0008801600000000, 0.0034816900000000 ] - [ 0.0009434000000000, 0.0005315900000000, -0.0002391000000000 ] - [ 0.0012487700000000, 0.0016389000000000, -0.0009576400000000 ] - [ 0.0028182000000000, -0.0035111300000000, 0.0050421800000000 ] - [ -0.0004893700000000, 0.0007380900000000, -0.0031588500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009911600000000, 0.0000615800000000, 0.0012543900000000 ] - [ 0.0012236300000000, -0.0000140300000000, 0.0013249100000000 ] - [ 0.0025896500000000, -0.0039787500000000, 0.0036133400000000 ] - [ -0.0023135500000000, 0.0013318600000000, 0.0017733800000000 ] - [ 0.0026547500000000, 0.0052409900000000, 0.0046087600000000 ] - [ -0.0025422200000000, -0.0025546500000000, 0.0030445900000000 ] - [ -0.0009545500000000, -0.0005223600000000, -0.0021586600000000 ] - [ -0.0006465500000000, 0.0001218900000000, 0.0023478800000000 ] - [ 0.0049978800000000, 0.0059183900000000, -0.0600084700000000 ] - [ 0.0003120500000000, 0.0003186600000000, 0.0029773400000000 ] - [ -0.0000633500000000, -0.0006110700000000, -0.0024944600000000 ] - [ 0.0002938300000000, -0.0005132500000000, 0.0023442000000000 ] - [ -0.0001257000000000, -0.0006862600000000, 0.0010381500000000 ] - [ 0.0007598100000000, 0.0015420900000000, 0.0002943600000000 ] - [ -0.0006416200000000, -0.0049935200000000, 0.0048071300000000 ] - [ 0.0000179400000000, 0.0060989700000000, 0.0052857400000000 ] - [ 0.0001674900000000, 0.0016524400000000, 0.0007980600000000 ] - [ -0.0013762000000000, -0.0009646700000000, -0.0002329400000000 ] - [ -0.0015512900000000, 0.0001951900000000, -0.0034779000000000 ] - [ 0.0001052800000000, -0.0007391600000000, 0.0020168200000000 ] - [ 0.0433537700000000, -0.0258363500000000, -0.0728829200000000 ] - [ -0.0005287800000000, 0.0003098300000000, 0.0028011900000000 ] - [ -0.0007574400000000, -0.0006872100000000, -0.0072698600000000 ] - [ 0.0006808100000000, 0.0004715200000000, 0.0022522300000000 ] - [ -0.0015300800000000, -0.0008135800000000, 0.0024584200000000 ] - [ 0.0055693400000000, 0.0014153800000000, 0.0022405700000000 ] - [ 0.0000945900000000, -0.0026323200000000, 0.0034576000000000 ] - [ -0.0018271300000000, 0.0028781500000000, -0.0004709700000000 ] - [ -0.0006467600000000, 0.0021826100000000, 0.0022070100000000 ] - [ -0.0012654100000000, -0.0028744200000000, 0.0015345000000000 ] - [ -0.0013307000000000, 0.0005721500000000, -0.0028912000000000 ] - [ 0.0000469000000000, 0.0006692500000000, 0.0027082900000000 ] - [ -0.0279986500000000, 0.1209244000000000, -0.1822285000000000 ] - [ 0.0012578300000000, -0.0007671800000000, 0.0057395000000000 ] - [ 0.0007426400000000, -0.0010515800000000, -0.0032768700000000 ] - [ -0.0005788000000000, -0.0004479900000000, 0.0026123100000000 ] - [ -0.0033885200000000, -0.0015405100000000, -0.0006106800000000 ] - [ 0.0005267300000000, -0.0004849500000000, 0.0033302400000000 ] - [ -0.0002893200000000, -0.0032894000000000, -0.0001559400000000 ] - [ -0.0016085100000000, 0.0026686200000000, 0.0043182900000000 ] - [ 0.0005484700000000, 0.0037190900000000, -0.0015271500000000 ] - [ 0.0009437500000000, -0.0005336700000000, 0.0031652800000000 ] - [ 0.0001242200000000, 0.0007791400000000, -0.0054008000000000 ] - [ -0.0007514900000000, 0.0006319700000000, 0.0024814700000000 ] - [ -0.0369195500000000, -0.0933961400000000, -0.2595714800000000 ] - [ 0.0003990400000000, 0.0003302800000000, 0.0053706200000000 ] - [ -0.0010061100000000, 0.0009545400000000, -0.0047351400000000 ] - [ -0.0002915800000000, -0.0008250100000000, 0.0023849800000000 ] - [ 0.0213031400000000, -0.0064811500000000, 0.5818710200000000 ] - [ -0.0006037900000000, 0.0000723400000000, -0.0070226100000000 ] - [ 0.0016035000000000, -0.0007082900000000, 0.0065157800000000 ] - [ 0.0004137000000000, 0.0002280700000000, -0.0039111500000000 ] - [ 0.0004794900000000, -0.0084837000000000, -0.0028111900000000 ] - [ 0.0023440200000000, 0.0045071100000000, -0.0040850600000000 ] - [ -0.0023287200000000, 0.0090281500000000, -0.0070360800000000 ] - [ 0.0059419300000000, -0.0078186800000000, -0.0059492300000000 ] - [ 0.0008376200000000, 0.0010232400000000, -0.0027885800000000 ] - [ -0.0023925500000000, -0.0028319000000000, -0.0040981400000000 ] - [ 0.0001217200000000, -0.0003142400000000, 0.0065170500000000 ] - [ -0.0006549500000000, 0.0001260400000000, -0.0039122800000000 ] - [ 0.0001246100000000, -0.0014020000000000, -0.0020091900000000 ] - [ 0.0007481000000000, -0.0009832200000000, -0.0023994000000000 ] - [ 0.0008519300000000, -0.0048945600000000, 0.0099487700000000 ] - [ 0.0015268200000000, 0.0006656300000000, -0.0028810500000000 ] - [ 0.0033765300000000, -0.0004672500000000, 0.0241824600000000 ] - [ -0.0003662200000000, -0.0017988200000000, -0.0026457800000000 ] - [ -0.0039858800000000, -0.0001264700000000, 0.0128706200000000 ] - [ -0.0010394000000000, 0.0010879500000000, -0.0025926900000000 ] - [ 0.0079657300000000, -0.0053900500000000, -0.0255446300000000 ] - [ -0.0054802100000000, 0.0039043700000000, -0.0225568400000000 ] - [ 0.0050086700000000, 0.0042809900000000, 0.0028757800000000 ] - [ -0.0010272900000000, -0.0006965600000000, -0.0035154500000000 ] - [ -0.0233109300000000, 0.0038102000000000, 0.0030549100000000 ] - [ 0.0006944800000000, -0.0000449800000000, -0.0040395800000000 ] - [ -0.0044927400000000, -0.0043297900000000, 0.0036597100000000 ] - [ 0.0010371000000000, 0.0006002400000000, -0.0046362700000000 ] - [ -0.0014790400000000, 0.0001038900000000, -0.0050430300000000 ] - [ 0.0163668400000000, 0.0009045800000000, -0.0027632700000000 ] - [ 0.0007811300000000, 0.0022789100000000, -0.0026657100000000 ] - [ 0.0004791200000000, 0.0011768300000000, -0.0019213800000000 ] - [ -0.0028026400000000, 0.0034847700000000, -0.0050253200000000 ] - [ 0.0004904300000000, -0.0007426400000000, 0.0031602100000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0045827800000000, -0.0045975700000000, 0.0005884600000000 ] - [ 0.0005414600000000, -0.0001180200000000, -0.0004097400000000 ] - [ -0.0028002000000000, 0.0046236200000000, -0.0001880400000000 ] - [ -0.0002748800000000, -0.0002455600000000, -0.0003739700000000 ] - [ -0.0029019300000000, 0.0080661800000000, -0.0002734500000000 ] - [ -0.0001852800000000, 0.0006806700000000, -0.0004084400000000 ] - [ 0.0017036300000000, -0.0011258200000000, 0.0015091700000000 ] - [ 0.0018304300000000, -0.0004493700000000, -0.0014739100000000 ] - [ -0.0007016000000000, -0.0000723100000000, 0.0004638000000000 ] - [ -0.0006605100000000, 0.0003147000000000, -0.0002546700000000 ] - [ -0.0011849200000000, -0.0005091200000000, 0.0006221500000000 ] - [ -0.0010789300000000, -0.0003615800000000, -0.0000132500000000 ] - [ 0.0170832100000000, 0.0040923700000000, 0.0031002100000000 ] - [ 0.0003001400000000, 0.0001641800000000, 0.0000079200000000 ] - [ -0.0078461200000000, 0.0021930700000000, 0.0005205100000000 ] - [ -0.0000900300000000, -0.0002662600000000, 0.0000234800000000 ] - [ -0.0074407400000000, 0.0001595400000000, -0.0006548900000000 ] - [ -0.0005321600000000, 0.0000622000000000, -0.0000542600000000 ] - [ 0.0005306700000000, 0.0002810700000000, -0.0009275400000000 ] - [ 0.0011606800000000, 0.0000888200000000, -0.0005561700000000 ] - [ -0.0003907800000000, 0.0008908200000000, -0.0006138700000000 ] - [ -0.0009598800000000, 0.0017374200000000, 0.0009690500000000 ] - [ -0.0001092700000000, 0.0004402200000000, 0.0004190300000000 ] - [ -0.0007684400000000, 0.0006212400000000, -0.0005617400000000 ] - [ -0.0023907300000000, -0.0064709000000000, -0.0011127200000000 ] - [ 0.0001897500000000, -0.0007848400000000, -0.0002818000000000 ] - [ -0.0111298800000000, 0.0006422600000000, 0.0028181700000000 ] - [ -0.0008570400000000, 0.0001434500000000, -0.0004371000000000 ] - [ 0.0087805000000000, -0.0029470500000000, 0.0034110300000000 ] - [ 0.0005599900000000, 0.0005931300000000, 0.0000027900000000 ] - [ 0.0006824300000000, 0.0009029600000000, -0.0009103300000000 ] - [ 0.0057660200000000, 0.0004049300000000, -0.0022285800000000 ] - [ 0.0009346500000000, -0.0001082200000000, -0.0005235700000000 ] - [ 0.0004469900000000, 0.0015250200000000, -0.0006811900000000 ] - [ -0.0011103200000000, -0.0005057600000000, 0.0000392800000000 ] - [ -0.0013820700000000, -0.0014212200000000, 0.0004474000000000 ] - [ -0.0026956000000000, -0.0060051000000000, 0.0052105200000000 ] - [ -0.0000492900000000, -0.0009207500000000, -0.0000372900000000 ] - [ -0.0063438900000000, -0.0001594200000000, -0.0028223700000000 ] - [ -0.0009939500000000, 0.0004643200000000, 0.0005844900000000 ] - [ -0.0041472600000000, 0.0071424900000000, 0.0059406300000000 ] - [ 0.0005475700000000, 0.0004252300000000, -0.0003554600000000 ] - [ 0.0052123100000000, 0.0001836400000000, -0.0001212100000000 ] - [ 0.0007845000000000, 0.0012447700000000, -0.0001780800000000 ] - [ 0.0010484200000000, 0.0000233600000000, -0.0005687000000000 ] - [ 0.0003400100000000, -0.0000110100000000, -0.0005118900000000 ] - [ -0.0016533900000000, -0.0004571300000000, -0.0000839900000000 ] - [ -0.0010062900000000, -0.0003653900000000, -0.0006259900000000 ] - [ 0.0011715200000000, 0.0001593400000000, 0.0010669000000000 ] - [ 0.0023220700000000, -0.0017421300000000, 0.0004537800000000 ] - [ -0.0044904800000000, 0.0012966900000000, 0.0005137600000000 ] - [ -0.0049399400000000, -0.0007199700000000, 0.0017724200000000 ] - [ 0.0206865300000000, -0.0173525400000000, 0.0009198700000000 ] - [ 0.0003251400000000, -0.0003700800000000, 0.0001831400000000 ] - [ 0.0252530500000000, -0.0072629800000000, 0.0028161100000000 ] - [ 0.0000719200000000, -0.0001960000000000, -0.0001510700000000 ] - [ 0.0030512200000000, 0.0228494200000000, -0.0050198700000000 ] - [ -0.0001940100000000, 0.0001433500000000, 0.0001518800000000 ] - [ 0.0013486500000000, -0.0003338700000000, -0.0003985400000000 ] - [ 0.0015005900000000, 0.0001648500000000, 0.0004177600000000 ] - [ -0.0593605300000000, -0.0049838100000000, -0.0137852800000000 ] - [ 0.0004788900000000, -0.0013967300000000, -0.0010521500000000 ] - [ 0.0026335300000000, -0.0003118700000000, 0.0052343300000000 ] - [ 0.0022506500000000, 0.0000064000000000, -0.0035562800000000 ] - [ -0.0038558800000000, -0.0034243800000000, -0.0017953700000000 ] - [ -0.0018042500000000, -0.0023335200000000, 0.0056905800000000 ] - [ 0.0001013300000000, 0.0030796800000000, 0.0008736600000000 ] - [ -0.0007965100000000, 0.0022988100000000, 0.0025603000000000 ] - [ -0.0017453000000000, -0.0019415400000000, -0.0032077800000000 ] - [ -0.0016923000000000, 0.0000356400000000, -0.0010474600000000 ] - [ 0.0094552500000000, 0.0018823400000000, -0.0038594900000000 ] - [ 0.0005471400000000, 0.0000632000000000, 0.0007969700000000 ] - [ -0.0017483300000000, -0.0047077000000000, 0.0006865200000000 ] - [ -0.0002323100000000, -0.0003289500000000, 0.0000103800000000 ] - [ 0.0004706800000000, 0.0002054700000000, -0.0006557100000000 ] - [ 0.0088314200000000, 0.0006979300000000, 0.0036284300000000 ] - [ -0.0021239200000000, -0.0052209000000000, -0.0012876600000000 ] - [ -0.0001142500000000, -0.0003716500000000, 0.0006591400000000 ] - [ 0.0065383100000000, 0.0067170800000000, -0.0010975500000000 ] - [ 0.0010439300000000, 0.0015473500000000, -0.0011373300000000 ] - [ 0.0033385900000000, 0.0019229900000000, 0.0012348900000000 ] - [ 0.0003368600000000, -0.0002811800000000, -0.0000531600000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036033100000000, 0.0044190500000000, -0.0009962000000000 ] - [ 0.0004024200000000, -0.0000501600000000, -0.0000100100000000 ] - [ 0.0019749000000000, -0.0052562500000000, -0.0002334600000000 ] - [ -0.0003461300000000, -0.0004873800000000, -0.0000449500000000 ] - [ 0.0025714000000000, -0.0071529700000000, -0.0001570700000000 ] - [ -0.0001462800000000, 0.0002286100000000, -0.0000096600000000 ] - [ -0.0026114100000000, 0.0012842100000000, -0.0010873000000000 ] - [ -0.0027419400000000, 0.0006181300000000, 0.0018831900000000 ] - [ 0.0013194500000000, 0.0007974100000000, -0.0000369500000000 ] - [ 0.0012753800000000, 0.0004104200000000, 0.0006639300000000 ] - [ 0.0015141600000000, -0.0003858200000000, -0.0001940400000000 ] - [ 0.0014124300000000, -0.0005376900000000, 0.0004182800000000 ] - [ -0.0157428900000000, -0.0028633700000000, -0.0027297300000000 ] - [ 0.0001358100000000, 0.0004070000000000, 0.0001807600000000 ] - [ 0.0081362600000000, -0.0028933800000000, -0.0003282000000000 ] - [ 0.0003724300000000, -0.0004007300000000, 0.0001649600000000 ] - [ 0.0067339100000000, -0.0000421600000000, 0.0008409700000000 ] - [ -0.0001837600000000, 0.0000272400000000, 0.0002442300000000 ] - [ -0.0009519100000000, -0.0008366600000000, 0.0007163700000000 ] - [ -0.0015812700000000, -0.0006377000000000, 0.0003698200000000 ] - [ 0.0001004000000000, -0.0002243000000000, 0.0004276500000000 ] - [ 0.0006741000000000, -0.0010757200000000, -0.0011672900000000 ] - [ 0.0008247900000000, -0.0005236800000000, -0.0006054400000000 ] - [ 0.0014909000000000, -0.0007083500000000, 0.0003688100000000 ] - [ 0.0029337700000000, 0.0052109100000000, 0.0012165200000000 ] - [ 0.0003612400000000, -0.0004702200000000, 0.0003774400000000 ] - [ 0.0098202400000000, -0.0004952900000000, -0.0027658300000000 ] - [ -0.0005122800000000, 0.0000087800000000, 0.0005311200000000 ] - [ -0.0076303300000000, 0.0037088100000000, -0.0031155300000000 ] - [ 0.0002536900000000, 0.0005098900000000, 0.0000965400000000 ] - [ -0.0012319700000000, 0.0003398100000000, 0.0007750100000000 ] - [ -0.0062744800000000, 0.0008478700000000, 0.0021163200000000 ] - [ 0.0004346300000000, -0.0000460000000000, 0.0004285400000000 ] - [ 0.0009197100000000, -0.0016777800000000, 0.0005792800000000 ] - [ 0.0002892000000000, -0.0005933100000000, -0.0001379600000000 ] - [ 0.0005720800000000, 0.0003261500000000, -0.0005558600000000 ] - [ 0.0026220700000000, 0.0043628100000000, -0.0043902600000000 ] - [ -0.0000139400000000, -0.0006829500000000, 0.0008327600000000 ] - [ 0.0050299000000000, 0.0010080000000000, 0.0036546300000000 ] - [ -0.0003681200000000, 0.0003901600000000, 0.0002021100000000 ] - [ 0.0056593400000000, -0.0063820800000000, -0.0051161700000000 ] - [ 0.0008755500000000, 0.0003265800000000, 0.0011464900000000 ] - [ -0.0051273500000000, 0.0013792800000000, -0.0006243000000000 ] - [ -0.0007158400000000, 0.0003680200000000, -0.0005953000000000 ] - [ 0.0003135300000000, -0.0008830100000000, -0.0002194700000000 ] - [ 0.0010202800000000, -0.0008496700000000, -0.0002891600000000 ] - [ 0.0002229900000000, -0.0002873800000000, -0.0007016300000000 ] - [ -0.0004161600000000, -0.0003818700000000, -0.0001735700000000 ] - [ -0.0011043000000000, -0.0004849700000000, -0.0002738600000000 ] - [ -0.0022591400000000, 0.0014197900000000, 0.0003598100000000 ] - [ 0.0046600600000000, -0.0010736600000000, 0.0003841900000000 ] - [ 0.0051191000000000, 0.0009073200000000, -0.0010219100000000 ] - [ -0.0202587500000000, 0.0170243000000000, -0.0016703600000000 ] - [ 0.0000035500000000, 0.0002547700000000, -0.0009845700000000 ] - [ -0.0255731500000000, 0.0077931400000000, -0.0036353800000000 ] - [ -0.0001280500000000, 0.0005312600000000, -0.0006512900000000 ] - [ -0.0032842400000000, -0.0229446200000000, 0.0041980700000000 ] - [ -0.0000611700000000, -0.0003711700000000, -0.0009522200000000 ] - [ -0.0016684300000000, 0.0004340500000000, 0.0011939000000000 ] - [ -0.0018371800000000, -0.0000627000000000, 0.0004026000000000 ] - [ 0.0597332300000000, 0.0017626100000000, 0.0105052300000000 ] - [ 0.0010988300000000, -0.0015000300000000, -0.0018399400000000 ] - [ 0.0006988100000000, 0.0002184200000000, -0.0023646100000000 ] - [ 0.0010798100000000, -0.0000913400000000, 0.0064900500000000 ] - [ 0.0021055800000000, 0.0006045200000000, 0.0046850900000000 ] - [ 0.0000629000000000, -0.0004819200000000, -0.0027950100000000 ] - [ -0.0016795300000000, -0.0001692500000000, 0.0020226900000000 ] - [ -0.0007833200000000, 0.0006004200000000, 0.0003445400000000 ] - [ -0.0015659900000000, 0.0020589000000000, 0.0003022300000000 ] - [ -0.0016119400000000, 0.0000530100000000, -0.0018474600000000 ] - [ -0.0094195400000000, -0.0018699700000000, 0.0042024200000000 ] - [ -0.0005522500000000, -0.0000646100000000, -0.0003945400000000 ] - [ 0.0017756900000000, 0.0046885100000000, -0.0010969400000000 ] - [ 0.0002390200000000, 0.0003258500000000, -0.0004024600000000 ] - [ -0.0004775900000000, -0.0002051500000000, -0.0000218300000000 ] - [ -0.0088092500000000, -0.0006889900000000, -0.0042541000000000 ] - [ 0.0021484800000000, 0.0052076800000000, 0.0019694900000000 ] - [ 0.0001234900000000, 0.0003672100000000, 0.0000195400000000 ] - [ -0.0048263500000000, -0.0039481000000000, -0.0018204900000000 ] - [ 0.0006844100000000, 0.0012764000000000, -0.0017557100000000 ] - [ -0.0033610900000000, -0.0020039500000000, -0.0012994700000000 ] - [ -0.0003392600000000, 0.0002790300000000, 0.0000519000000000 ]- atom: 61 displacement: [ -0.0050000000118297, 0.0086602540310145, 0.0000000000000000 ] forces: - [ -0.0042596900000000, -0.0048667800000000, -0.0002662400000000 ] - [ 0.0003434200000000, -0.0002539200000000, -0.0002094800000000 ] - [ 0.0073010200000000, 0.0001318200000000, -0.0002050700000000 ] - [ -0.0001210600000000, -0.0003617200000000, -0.0002075900000000 ] - [ 0.0045249000000000, -0.0094603800000000, -0.0007060800000000 ] - [ -0.0000495200000000, 0.0001674600000000, -0.0002206200000000 ] - [ -0.0039938000000000, 0.0022471700000000, 0.0009990000000000 ] - [ -0.0025852500000000, 0.0015190600000000, 0.0005348700000000 ] - [ 0.0005564700000000, 0.0000620900000000, 0.0002783400000000 ] - [ 0.0005238600000000, -0.0002344200000000, 0.0002883800000000 ] - [ 0.0009530600000000, 0.0001380800000000, -0.0001011900000000 ] - [ 0.0009231300000000, -0.0001158800000000, 0.0003066700000000 ] - [ -0.0030143700000000, 0.0048178200000000, -0.0002116500000000 ] - [ 0.0000265500000000, 0.0002736200000000, 0.0001405200000000 ] - [ 0.0063448400000000, -0.0006544700000000, -0.0006128500000000 ] - [ 0.0002392600000000, -0.0004080400000000, 0.0000617600000000 ] - [ 0.0082370500000000, 0.0018227400000000, 0.0004959900000000 ] - [ -0.0001919200000000, 0.0001476900000000, 0.0000978600000000 ] - [ -0.0014604000000000, -0.0023034100000000, 0.0023519600000000 ] - [ -0.0009183600000000, -0.0002840600000000, -0.0016058600000000 ] - [ 0.0010312400000000, -0.0003971400000000, 0.0005026200000000 ] - [ 0.0013798700000000, -0.0009373300000000, -0.0014186500000000 ] - [ 0.0009358800000000, -0.0010560700000000, -0.0006270800000000 ] - [ 0.0017577900000000, -0.0014459700000000, 0.0002980200000000 ] - [ -0.0017292800000000, -0.0013597800000000, -0.0007016500000000 ] - [ 0.0000889500000000, -0.0008846600000000, -0.0001707100000000 ] - [ 0.0040334900000000, 0.0049992600000000, -0.0022913800000000 ] - [ -0.0005426000000000, 0.0003058700000000, 0.0000049900000000 ] - [ -0.0045677200000000, 0.0093904800000000, -0.0053531000000000 ] - [ 0.0004213400000000, 0.0007665700000000, -0.0003969900000000 ] - [ -0.0002080400000000, 0.0022557600000000, 0.0036235300000000 ] - [ -0.0033552100000000, 0.0062096000000000, 0.0022786000000000 ] - [ 0.0010376700000000, -0.0012916400000000, -0.0000641700000000 ] - [ 0.0008947700000000, -0.0028289800000000, 0.0013171300000000 ] - [ -0.0008007900000000, -0.0008154000000000, -0.0005520000000000 ] - [ 0.0001205100000000, -0.0006944600000000, -0.0002622800000000 ] - [ -0.0017347000000000, -0.0012550600000000, 0.0012477100000000 ] - [ -0.0001411100000000, -0.0008373700000000, 0.0002673300000000 ] - [ 0.0035070000000000, 0.0039251600000000, 0.0033641500000000 ] - [ -0.0005026200000000, 0.0005223000000000, 0.0000705400000000 ] - [ 0.0089091700000000, -0.0029333600000000, -0.0062903600000000 ] - [ 0.0009379000000000, 0.0006007200000000, 0.0009390700000000 ] - [ -0.0038416100000000, 0.0092119800000000, -0.0068042000000000 ] - [ -0.0000540000000000, 0.0006559200000000, -0.0013986400000000 ] - [ 0.0015959600000000, -0.0024267700000000, -0.0002732000000000 ] - [ 0.0010521200000000, -0.0012358700000000, -0.0003464900000000 ] - [ -0.0012698000000000, -0.0016785600000000, -0.0002511400000000 ] - [ -0.0004501800000000, -0.0005114800000000, -0.0002655000000000 ] - [ -0.0011585000000000, 0.0016410500000000, 0.0000131900000000 ] - [ -0.0019393600000000, 0.0028526200000000, -0.0000220300000000 ] - [ 0.0063518400000000, -0.0005309800000000, -0.0091878800000000 ] - [ 0.0033995000000000, 0.0000277900000000, 0.0041759300000000 ] - [ -0.0284251200000000, 0.0176837200000000, 0.0025604300000000 ] - [ -0.0001631600000000, 0.0003178600000000, -0.0004893800000000 ] - [ -0.0243580100000000, -0.0069498100000000, -0.0006393500000000 ] - [ -0.0002545200000000, 0.0000454000000000, -0.0002115900000000 ] - [ 0.0108398000000000, 0.0020941800000000, 0.0004011000000000 ] - [ 0.0002197800000000, 0.0001445000000000, -0.0002758400000000 ] - [ -0.0005918500000000, 0.0000760500000000, 0.0011098400000000 ] - [ -0.0016986500000000, -0.0001248700000000, 0.0000151700000000 ] - [ 0.0274231400000000, -0.0532420800000000, 0.0113697200000000 ] - [ 0.0009873800000000, -0.0019789300000000, -0.0016737600000000 ] - [ 0.0006154700000000, -0.0031755100000000, -0.0004727000000000 ] - [ 0.0010866000000000, -0.0011759800000000, 0.0039560400000000 ] - [ -0.0007926300000000, -0.0002507200000000, 0.0065366700000000 ] - [ -0.0008737500000000, -0.0007343700000000, -0.0052865800000000 ] - [ 0.0001734900000000, 0.0036655400000000, 0.0017085800000000 ] - [ -0.0000518900000000, 0.0020691400000000, 0.0016700700000000 ] - [ -0.0012436900000000, 0.0083866000000000, -0.0011268900000000 ] - [ -0.0016258200000000, 0.0002675500000000, -0.0012725600000000 ] - [ -0.0035243300000000, -0.0045884900000000, 0.0008396000000000 ] - [ -0.0001139800000000, -0.0002576200000000, 0.0001984500000000 ] - [ -0.0020878100000000, 0.0090480500000000, -0.0043109400000000 ] - [ -0.0002298400000000, 0.0006930600000000, 0.0001603500000000 ] - [ 0.0001737300000000, -0.0003465700000000, -0.0002928000000000 ] - [ -0.0031767500000000, -0.0038751600000000, -0.0009708000000000 ] - [ -0.0024071500000000, 0.0097954500000000, 0.0054477500000000 ] - [ -0.0003479200000000, 0.0008945800000000, -0.0000381600000000 ] - [ 0.0005461900000000, 0.0011217600000000, -0.0026459900000000 ] - [ 0.0008776900000000, 0.0013734800000000, -0.0011802400000000 ] - [ 0.0008753800000000, 0.0061599800000000, 0.0020720500000000 ] - [ -0.0003904400000000, 0.0002345400000000, 0.0002076500000000 ]- atom: 61 displacement: [ 0.0050000000118297, -0.0086602540310145, 0.0000000000000000 ] forces: - [ 0.0051261800000000, 0.0046692700000000, -0.0001488500000000 ] - [ 0.0006037000000000, 0.0000819200000000, -0.0002058200000000 ] - [ -0.0081861800000000, -0.0005683100000000, -0.0002265400000000 ] - [ -0.0005032700000000, -0.0003703500000000, -0.0002057200000000 ] - [ -0.0048731100000000, 0.0103827200000000, 0.0002874200000000 ] - [ -0.0002806400000000, 0.0007448900000000, -0.0001938200000000 ] - [ 0.0030586100000000, -0.0020839700000000, -0.0005862000000000 ] - [ 0.0016652200000000, -0.0013511800000000, -0.0001108000000000 ] - [ 0.0000697100000000, 0.0006707100000000, 0.0001406300000000 ] - [ 0.0001061500000000, 0.0009738900000000, 0.0001238100000000 ] - [ -0.0006268800000000, -0.0010479100000000, 0.0005229400000000 ] - [ -0.0005952000000000, -0.0008006700000000, 0.0001042100000000 ] - [ 0.0034069000000000, -0.0042693100000000, 0.0003977500000000 ] - [ 0.0004092300000000, 0.0002838500000000, 0.0000563800000000 ] - [ -0.0060532600000000, 0.0000020600000000, 0.0008031900000000 ] - [ 0.0000260400000000, -0.0002490900000000, 0.0001360400000000 ] - [ -0.0089826300000000, -0.0017326500000000, -0.0003069900000000 ] - [ -0.0005121000000000, -0.0000514600000000, 0.0000994400000000 ] - [ 0.0010350800000000, 0.0017688100000000, -0.0025649400000000 ] - [ 0.0004834600000000, -0.0002419800000000, 0.0014057200000000 ] - [ -0.0013000500000000, 0.0010570200000000, -0.0006934600000000 ] - [ -0.0016447200000000, 0.0016028100000000, 0.0012091700000000 ] - [ -0.0002351300000000, 0.0009616600000000, 0.0004380100000000 ] - [ -0.0010601600000000, 0.0013428000000000, -0.0005058900000000 ] - [ 0.0022895300000000, 0.0001473000000000, 0.0008180900000000 ] - [ 0.0004723100000000, -0.0003648900000000, 0.0002849700000000 ] - [ -0.0054185000000000, -0.0048039700000000, 0.0023797100000000 ] - [ -0.0008274700000000, -0.0001680000000000, 0.0001097000000000 ] - [ 0.0060705500000000, -0.0089847200000000, 0.0059286100000000 ] - [ 0.0003839500000000, 0.0003416800000000, 0.0005148400000000 ] - [ -0.0003531500000000, -0.0010179400000000, -0.0037587700000000 ] - [ 0.0028162600000000, -0.0049641400000000, -0.0023338000000000 ] - [ 0.0003338900000000, 0.0011534700000000, -0.0000454800000000 ] - [ 0.0004766200000000, 0.0027027900000000, -0.0014448800000000 ] - [ -0.0000098400000000, -0.0002917400000000, 0.0004413900000000 ] - [ -0.0009295100000000, -0.0004173500000000, 0.0001389500000000 ] - [ 0.0016683000000000, -0.0003278100000000, -0.0004570800000000 ] - [ 0.0000746600000000, -0.0007712900000000, 0.0005390800000000 ] - [ -0.0048493700000000, -0.0030416200000000, -0.0025486600000000 ] - [ -0.0008627500000000, 0.0003421000000000, 0.0007378900000000 ] - [ -0.0074700700000000, 0.0036170700000000, 0.0071640800000000 ] - [ 0.0004914100000000, 0.0001465900000000, -0.0001368300000000 ] - [ 0.0039268200000000, -0.0075247700000000, 0.0056851900000000 ] - [ 0.0001246300000000, 0.0009693300000000, 0.0006278100000000 ] - [ -0.0002239200000000, 0.0015671500000000, -0.0005181900000000 ] - [ 0.0003124100000000, 0.0003717500000000, -0.0004651000000000 ] - [ -0.0001658400000000, 0.0009269900000000, -0.0005429900000000 ] - [ -0.0009814400000000, -0.0002385800000000, -0.0005439500000000 ] - [ 0.0012178400000000, -0.0019785700000000, 0.0007705100000000 ] - [ 0.0020017200000000, -0.0031961700000000, 0.0008394600000000 ] - [ -0.0061491200000000, 0.0007662700000000, 0.0100439400000000 ] - [ -0.0032002200000000, 0.0001339700000000, -0.0034356600000000 ] - [ 0.0290885300000000, -0.0179706600000000, -0.0033416000000000 ] - [ 0.0004956700000000, -0.0004294900000000, -0.0003101500000000 ] - [ 0.0241068900000000, 0.0072201300000000, -0.0001312200000000 ] - [ 0.0001914100000000, 0.0002879600000000, -0.0005889700000000 ] - [ -0.0109988400000000, -0.0024930800000000, -0.0011794900000000 ] - [ -0.0004701600000000, -0.0003758800000000, -0.0005252800000000 ] - [ 0.0002690300000000, 0.0000351400000000, -0.0003262400000000 ] - [ 0.0013791100000000, 0.0002426200000000, 0.0007956400000000 ] - [ -0.0262895500000000, 0.0510119700000000, -0.0144673700000000 ] - [ 0.0005904100000000, -0.0009190800000000, -0.0012213100000000 ] - [ 0.0027086800000000, 0.0030882200000000, 0.0033619600000000 ] - [ 0.0022455600000000, 0.0010861200000000, -0.0010700500000000 ] - [ -0.0009494100000000, -0.0025770000000000, -0.0036753100000000 ] - [ -0.0008602600000000, -0.0020807400000000, 0.0082192600000000 ] - [ -0.0017517500000000, -0.0007689000000000, 0.0011857200000000 ] - [ -0.0015311200000000, 0.0008278600000000, 0.0012231000000000 ] - [ -0.0020864200000000, -0.0083552400000000, -0.0017749800000000 ] - [ -0.0016813500000000, -0.0001805600000000, -0.0016206700000000 ] - [ 0.0034994100000000, 0.0046192300000000, -0.0004359800000000 ] - [ 0.0001070300000000, 0.0002561300000000, 0.0001994600000000 ] - [ 0.0020890800000000, -0.0090145400000000, 0.0038500000000000 ] - [ 0.0002373100000000, -0.0006992600000000, -0.0005559400000000 ] - [ -0.0001797000000000, 0.0003478200000000, -0.0003892200000000 ] - [ 0.0031529800000000, 0.0039008100000000, 0.0002893600000000 ] - [ 0.0024024700000000, -0.0097351500000000, -0.0046972900000000 ] - [ 0.0003560000000000, -0.0008993200000000, 0.0007160000000000 ] - [ 0.0012085700000000, 0.0017126400000000, -0.0002430200000000 ] - [ 0.0008512700000000, 0.0014527100000000, -0.0017118600000000 ] - [ -0.0009290300000000, -0.0062222200000000, -0.0021350400000000 ] - [ 0.0003915100000000, -0.0002386500000000, -0.0002080700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006271700000000, -0.0007741900000000, 0.0036479400000000 ] - [ 0.0005756100000000, -0.0001940300000000, -0.0022627300000000 ] - [ -0.0010313400000000, -0.0001495300000000, 0.0070730700000000 ] - [ -0.0002756400000000, -0.0004747700000000, -0.0023420100000000 ] - [ -0.0019121100000000, 0.0019624400000000, 0.0051722200000000 ] - [ -0.0001996800000000, 0.0006288700000000, -0.0019713500000000 ] - [ 0.0050888700000000, -0.0007011400000000, -0.0042874300000000 ] - [ -0.0069767700000000, -0.0009184700000000, -0.0034916700000000 ] - [ 0.0002096200000000, 0.0003898600000000, -0.0000787600000000 ] - [ 0.0004866700000000, 0.0001400500000000, -0.0000484500000000 ] - [ 0.0003800600000000, -0.0004424500000000, -0.0002732200000000 ] - [ -0.0000260200000000, 0.0000366700000000, -0.0000256800000000 ] - [ 0.0010831200000000, -0.0010963000000000, 0.0076992200000000 ] - [ 0.0001412100000000, 0.0006274400000000, -0.0021559400000000 ] - [ -0.0004542000000000, -0.0014604500000000, 0.0026929000000000 ] - [ 0.0004913500000000, -0.0002593900000000, -0.0015995800000000 ] - [ -0.0021131400000000, 0.0006053900000000, 0.0049421100000000 ] - [ -0.0004704500000000, -0.0002392000000000, -0.0015839300000000 ] - [ 0.0012725000000000, 0.0049514700000000, -0.0055353000000000 ] - [ -0.0023456500000000, -0.0068969900000000, -0.0023802200000000 ] - [ -0.0017049100000000, 0.0014773300000000, -0.0012715500000000 ] - [ 0.0017086500000000, -0.0012024300000000, -0.0003603500000000 ] - [ 0.0006229700000000, -0.0000153000000000, -0.0009647200000000 ] - [ -0.0003511300000000, -0.0000571100000000, -0.0002604800000000 ] - [ 0.0000482100000000, -0.0016930600000000, 0.0027794800000000 ] - [ 0.0003305900000000, -0.0006212700000000, -0.0025432100000000 ] - [ 0.0036125000000000, -0.0013142000000000, 0.0056216300000000 ] - [ -0.0010838600000000, 0.0003752300000000, -0.0027133600000000 ] - [ 0.0000042500000000, -0.0014305500000000, 0.0140937900000000 ] - [ 0.0008752300000000, 0.0002349300000000, -0.0028764700000000 ] - [ -0.0010054200000000, -0.0010542300000000, -0.0081149100000000 ] - [ -0.0027829400000000, -0.0001584000000000, 0.0090736800000000 ] - [ 0.0004118800000000, 0.0000306100000000, -0.0016426800000000 ] - [ 0.0011342100000000, 0.0005213000000000, 0.0006488400000000 ] - [ -0.0004152100000000, -0.0003121400000000, -0.0016081100000000 ] - [ -0.0004730000000000, -0.0005473700000000, 0.0009123200000000 ] - [ -0.0008475100000000, -0.0031166000000000, 0.0053334000000000 ] - [ 0.0002482900000000, -0.0007192400000000, -0.0021329300000000 ] - [ -0.0024115200000000, 0.0014048000000000, 0.0047850600000000 ] - [ -0.0004987400000000, -0.0001310100000000, -0.0024588500000000 ] - [ 0.0061141200000000, -0.0048813700000000, 0.0086793600000000 ] - [ 0.0000995300000000, 0.0010166600000000, -0.0025852500000000 ] - [ 0.0019427800000000, -0.0064990100000000, 0.0152957600000000 ] - [ 0.0002802500000000, -0.0008844600000000, -0.0088086000000000 ] - [ 0.0007433800000000, -0.0009524700000000, 0.0002672500000000 ] - [ 0.0009476400000000, -0.0007283800000000, -0.0017883500000000 ] - [ -0.0014593800000000, -0.0000454400000000, 0.0000747000000000 ] - [ -0.0009144200000000, -0.0006267900000000, -0.0015021600000000 ] - [ 0.0012730400000000, -0.0009535300000000, 0.0009713900000000 ] - [ -0.0013159700000000, 0.0009180600000000, 0.0013630200000000 ] - [ -0.0083415300000000, -0.0036836600000000, 0.0244370800000000 ] - [ 0.0110404900000000, 0.0129468800000000, 0.0215808000000000 ] - [ 0.0058237500000000, 0.0004331000000000, -0.0231357000000000 ] - [ 0.0000734200000000, -0.0004206600000000, 0.0036860500000000 ] - [ 0.0004880300000000, 0.0026136100000000, -0.0118199200000000 ] - [ 0.0001989900000000, 0.0002304700000000, 0.0036326700000000 ] - [ 0.0000325600000000, 0.0045499700000000, -0.0088945700000000 ] - [ -0.0004772200000000, -0.0002587700000000, 0.0039208100000000 ] - [ -0.0004555900000000, -0.0001470600000000, 0.0016302000000000 ] - [ 0.0008166600000000, -0.0001286600000000, 0.0008799000000000 ] - [ -0.0112395500000000, 0.0061376500000000, -0.0748466600000000 ] - [ 0.0011786400000000, -0.0014850000000000, 0.0040272700000000 ] - [ 0.0067356500000000, 0.0007374100000000, 0.0054684000000000 ] - [ -0.0051339800000000, -0.0010511700000000, 0.0060059500000000 ] - [ -0.0027414600000000, 0.0018749000000000, 0.0054742500000000 ] - [ 0.0016590800000000, -0.0057806600000000, 0.0059950800000000 ] - [ -0.0013535500000000, 0.0014259700000000, 0.0031503600000000 ] - [ 0.0003282100000000, 0.0023509200000000, 0.0015027200000000 ] - [ -0.0028485300000000, 0.0003277500000000, -0.0065209000000000 ] - [ -0.0013821300000000, -0.0004637300000000, 0.0013252300000000 ] - [ -0.0033680600000000, -0.0010576100000000, -0.0027773700000000 ] - [ 0.0011529600000000, 0.0000360900000000, 0.0029883800000000 ] - [ 0.0026921300000000, -0.0058968400000000, -0.0031768700000000 ] - [ -0.0009068100000000, 0.0014631900000000, 0.0026260200000000 ] - [ -0.0012128100000000, -0.0000472500000000, 0.0030784400000000 ] - [ 0.0038461800000000, 0.0009741000000000, -0.0022891600000000 ] - [ -0.0021935900000000, 0.0049797600000000, -0.0032409600000000 ] - [ 0.0008584200000000, -0.0009746500000000, 0.0041575900000000 ] - [ 0.0022989300000000, 0.0002117100000000, -0.0065210900000000 ] - [ 0.0002899100000000, 0.0015387500000000, 0.0013257300000000 ] - [ 0.0021381300000000, 0.0040427600000000, 0.0077220200000000 ] - [ 0.0003179800000000, 0.0007509200000000, -0.0028506800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003226600000000, 0.0006386000000000, -0.0040767600000000 ] - [ 0.0003773600000000, 0.0000197200000000, 0.0018368100000000 ] - [ 0.0003774400000000, -0.0005670000000000, -0.0075098800000000 ] - [ -0.0003428200000000, -0.0002639900000000, 0.0019172500000000 ] - [ 0.0015862000000000, -0.0010673100000000, -0.0056038400000000 ] - [ -0.0001343600000000, 0.0002881000000000, 0.0015469100000000 ] - [ -0.0060874000000000, 0.0008736000000000, 0.0047436500000000 ] - [ 0.0059654000000000, 0.0010809700000000, 0.0038909900000000 ] - [ 0.0004137100000000, 0.0003462700000000, 0.0004913100000000 ] - [ 0.0001370200000000, 0.0005988000000000, 0.0004823000000000 ] - [ -0.0000479300000000, -0.0004657400000000, 0.0006857400000000 ] - [ 0.0003595300000000, -0.0009493100000000, 0.0004595100000000 ] - [ -0.0006757000000000, 0.0016718400000000, -0.0075196700000000 ] - [ 0.0002860200000000, -0.0000688200000000, 0.0023415300000000 ] - [ 0.0007120500000000, 0.0008017000000000, -0.0025044600000000 ] - [ -0.0002171200000000, -0.0003987200000000, 0.0017843900000000 ] - [ 0.0014240200000000, -0.0005156100000000, -0.0047605400000000 ] - [ -0.0002381400000000, 0.0003285400000000, 0.0017672700000000 ] - [ -0.0016949700000000, -0.0055359300000000, 0.0053605500000000 ] - [ 0.0018987900000000, 0.0062722500000000, 0.0021799800000000 ] - [ 0.0014396500000000, -0.0008269600000000, 0.0010819400000000 ] - [ -0.0019689000000000, 0.0018460600000000, 0.0001827600000000 ] - [ 0.0000842200000000, -0.0000762800000000, 0.0007709300000000 ] - [ 0.0010623200000000, -0.0000320000000000, 0.0000872900000000 ] - [ 0.0005167000000000, 0.0004856200000000, -0.0026646300000000 ] - [ 0.0002222800000000, -0.0006226700000000, 0.0026350100000000 ] - [ -0.0049907700000000, 0.0014499100000000, -0.0054749700000000 ] - [ -0.0002698100000000, -0.0002357600000000, 0.0028089100000000 ] - [ 0.0009869500000000, 0.0023429800000000, -0.0138852300000000 ] - [ -0.0000778000000000, 0.0008693400000000, 0.0029735900000000 ] - [ 0.0004597000000000, 0.0022919100000000, 0.0080358900000000 ] - [ 0.0020921900000000, 0.0015921800000000, -0.0079820900000000 ] - [ 0.0009490000000000, -0.0001742100000000, 0.0015363800000000 ] - [ 0.0002238000000000, -0.0006651400000000, -0.0007290400000000 ] - [ -0.0003855600000000, -0.0007881900000000, 0.0014979600000000 ] - [ -0.0003255500000000, -0.0005551200000000, -0.0009978600000000 ] - [ 0.0007845800000000, 0.0015359000000000, -0.0045683200000000 ] - [ -0.0003181600000000, -0.0008788300000000, 0.0029274300000000 ] - [ 0.0010620800000000, -0.0005563800000000, -0.0040115200000000 ] - [ -0.0008514500000000, 0.0009871400000000, 0.0032495200000000 ] - [ -0.0046470000000000, 0.0055894900000000, -0.0079764100000000 ] - [ 0.0013175900000000, -0.0002700000000000, 0.0033780000000000 ] - [ -0.0020097000000000, 0.0087521900000000, -0.0173387900000000 ] - [ -0.0002046700000000, 0.0024806900000000, 0.0080080400000000 ] - [ 0.0006082200000000, 0.0000902800000000, -0.0010827400000000 ] - [ 0.0004068200000000, -0.0001281000000000, 0.0010013100000000 ] - [ 0.0000377300000000, -0.0006982500000000, -0.0008813800000000 ] - [ -0.0005011500000000, -0.0001212900000000, 0.0007152800000000 ] - [ -0.0012222300000000, 0.0006326300000000, -0.0001425000000000 ] - [ 0.0013631400000000, -0.0012437900000000, -0.0005666100000000 ] - [ 0.0086112000000000, 0.0040029600000000, -0.0238490000000000 ] - [ -0.0107258400000000, -0.0126136200000000, -0.0205367300000000 ] - [ -0.0055987400000000, -0.0004718900000000, 0.0223584100000000 ] - [ 0.0002611900000000, 0.0002996000000000, -0.0044899700000000 ] - [ -0.0004390900000000, -0.0022593600000000, 0.0110264800000000 ] - [ -0.0002610700000000, 0.0001019300000000, -0.0044368700000000 ] - [ -0.0003240200000000, -0.0048889200000000, 0.0081166600000000 ] - [ 0.0002291100000000, 0.0000406800000000, -0.0047244800000000 ] - [ 0.0001274900000000, 0.0002643700000000, -0.0008012400000000 ] - [ -0.0011513000000000, 0.0002510700000000, -0.0000880500000000 ] - [ 0.0130497200000000, -0.0096747000000000, 0.0720598900000000 ] - [ 0.0003927600000000, -0.0014188000000000, -0.0069236200000000 ] - [ -0.0034746000000000, -0.0008478900000000, -0.0025820900000000 ] - [ 0.0083758900000000, 0.0009517800000000, -0.0030886700000000 ] - [ 0.0010239400000000, -0.0047304100000000, -0.0025758900000000 ] - [ -0.0033601100000000, 0.0029191700000000, -0.0030982200000000 ] - [ -0.0002081000000000, 0.0014877100000000, -0.0002368500000000 ] - [ -0.0018908500000000, 0.0005569400000000, 0.0013800900000000 ] - [ -0.0004488800000000, -0.0002254300000000, 0.0036220400000000 ] - [ -0.0019167600000000, 0.0005559300000000, -0.0042206100000000 ] - [ 0.0033726600000000, 0.0010519300000000, 0.0032088300000000 ] - [ -0.0011443000000000, -0.0000395000000000, -0.0025953400000000 ] - [ -0.0027063000000000, 0.0059255700000000, 0.0028251500000000 ] - [ 0.0009005200000000, -0.0014508100000000, -0.0030150300000000 ] - [ 0.0012220100000000, 0.0000442700000000, -0.0037422200000000 ] - [ -0.0038382900000000, -0.0009728300000000, 0.0015729600000000 ] - [ 0.0021814800000000, -0.0049593200000000, 0.0038478600000000 ] - [ -0.0008603800000000, 0.0009829200000000, -0.0034886100000000 ] - [ -0.0005623400000000, 0.0026172800000000, 0.0036226100000000 ] - [ 0.0014377700000000, 0.0012814400000000, -0.0042204800000000 ] - [ -0.0022248000000000, -0.0041990400000000, -0.0078697500000000 ] - [ -0.0003159800000000, -0.0007443200000000, 0.0028415500000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030367200000000, 0.0031972500000000, 0.0002567800000000 ] - [ 0.0003848200000000, 0.0002990800000000, -0.0002884800000000 ] - [ -0.0076071100000000, -0.0050627500000000, -0.0030235900000000 ] - [ -0.0008711500000000, -0.0005788500000000, -0.0001319100000000 ] - [ 0.0013449100000000, -0.0035354000000000, 0.0021344200000000 ] - [ 0.0000305700000000, 0.0001368500000000, -0.0001961400000000 ] - [ 0.0020588800000000, 0.0012159000000000, 0.0003433700000000 ] - [ -0.0003704800000000, -0.0000557600000000, 0.0007838600000000 ] - [ 0.0052334800000000, -0.0005854900000000, 0.0002876200000000 ] - [ 0.0009046800000000, 0.0002025800000000, -0.0002532000000000 ] - [ 0.0058313400000000, 0.0014447600000000, -0.0002585200000000 ] - [ 0.0005327600000000, -0.0001961500000000, 0.0000884200000000 ] - [ 0.0005398500000000, 0.0048207500000000, 0.0060009600000000 ] - [ 0.0006801600000000, 0.0007700900000000, -0.0007236900000000 ] - [ 0.0018356300000000, -0.0050835600000000, -0.0075846600000000 ] - [ 0.0003104100000000, -0.0002181500000000, 0.0005029400000000 ] - [ 0.0086894400000000, 0.0009888400000000, 0.0019406200000000 ] - [ 0.0003016500000000, 0.0001036200000000, 0.0005167200000000 ] - [ -0.0033171600000000, 0.0040136000000000, -0.0013914000000000 ] - [ -0.0006960600000000, -0.0001399900000000, 0.0004853600000000 ] - [ -0.0025902400000000, -0.0007833100000000, 0.0013063800000000 ] - [ -0.0004006400000000, -0.0002624500000000, -0.0007786200000000 ] - [ 0.0022403600000000, 0.0020848100000000, -0.0002021300000000 ] - [ 0.0006051600000000, -0.0001003600000000, -0.0000051700000000 ] - [ 0.0028072900000000, 0.0027441200000000, 0.0033151000000000 ] - [ 0.0008479400000000, -0.0003081300000000, 0.0001530300000000 ] - [ -0.0032801700000000, 0.0029552400000000, -0.0068652500000000 ] - [ -0.0011537900000000, -0.0000826100000000, 0.0011189400000000 ] - [ 0.0007833100000000, -0.0007389000000000, 0.0037152900000000 ] - [ 0.0008548800000000, -0.0002561600000000, -0.0010872200000000 ] - [ -0.0057462700000000, -0.0003305000000000, -0.0025463200000000 ] - [ -0.0015370300000000, 0.0004787400000000, 0.0004428400000000 ] - [ -0.0000310000000000, -0.0029687900000000, 0.0015435500000000 ] - [ 0.0008537500000000, -0.0010498600000000, -0.0003372800000000 ] - [ -0.0017926000000000, 0.0015921200000000, 0.0008224400000000 ] - [ -0.0002193900000000, 0.0001104000000000, -0.0002911000000000 ] - [ 0.0054935600000000, 0.0010003600000000, 0.0005942600000000 ] - [ 0.0002402200000000, -0.0005949000000000, 0.0003196500000000 ] - [ 0.0041333400000000, -0.0009104300000000, -0.0027628500000000 ] - [ -0.0006081400000000, 0.0004310500000000, 0.0005332300000000 ] - [ 0.0081516100000000, -0.0006177500000000, 0.0034935500000000 ] - [ 0.0010754800000000, 0.0003074000000000, 0.0003630000000000 ] - [ -0.0066918200000000, 0.0020257600000000, -0.0001616700000000 ] - [ -0.0003212200000000, 0.0007747500000000, -0.0002257900000000 ] - [ -0.0009606700000000, -0.0036302000000000, -0.0001600100000000 ] - [ 0.0006927200000000, -0.0006843700000000, -0.0006084000000000 ] - [ -0.0010830100000000, 0.0030479800000000, -0.0008664600000000 ] - [ -0.0006991200000000, -0.0002022400000000, -0.0003826100000000 ] - [ 0.0060906700000000, 0.0077683000000000, -0.0046563000000000 ] - [ -0.0004121000000000, 0.0007728200000000, 0.0014146400000000 ] - [ 0.0187124400000000, -0.0060250100000000, 0.0065739300000000 ] - [ 0.0009728200000000, 0.0004549800000000, -0.0007033700000000 ] - [ -0.0081845100000000, 0.0092145100000000, -0.0153679600000000 ] - [ -0.0013544200000000, 0.0003059900000000, -0.0000106200000000 ] - [ 0.0206077600000000, 0.0072347600000000, 0.0231074700000000 ] - [ 0.0004271700000000, 0.0007705200000000, -0.0010879100000000 ] - [ 0.0040503500000000, -0.0170109300000000, -0.0088099000000000 ] - [ -0.0004414500000000, -0.0013577600000000, -0.0000962500000000 ] - [ -0.0000100000000000, -0.0098692500000000, -0.0008203900000000 ] - [ -0.0004905800000000, -0.0004258000000000, 0.0004850800000000 ] - [ 0.0102097500000000, -0.0000690100000000, -0.0047890700000000 ] - [ 0.0013410700000000, -0.0012615600000000, -0.0002991300000000 ] - [ 0.0105414900000000, -0.0014941000000000, -0.0050578000000000 ] - [ 0.0023721500000000, -0.0002673500000000, 0.0031649500000000 ] - [ 0.0009674100000000, 0.0053454500000000, 0.0052107600000000 ] - [ -0.0007770300000000, -0.0009019200000000, 0.0006340700000000 ] - [ -0.0025449700000000, -0.0019825400000000, 0.0041507100000000 ] - [ -0.0010266100000000, 0.0010454900000000, 0.0005403400000000 ] - [ -0.0038902800000000, 0.0049034200000000, -0.0006750300000000 ] - [ -0.0018206500000000, 0.0003922900000000, -0.0019856600000000 ] - [ -0.0627714700000000, 0.0001437000000000, 0.0002296000000000 ] - [ -0.0006546400000000, -0.0000015200000000, 0.0002012600000000 ] - [ 0.0034692000000000, 0.0000161600000000, -0.0001991500000000 ] - [ 0.0004122900000000, 0.0000020000000000, -0.0002013500000000 ] - [ -0.0071592600000000, -0.0000894000000000, -0.0003075100000000 ] - [ -0.0067946200000000, -0.0002133800000000, -0.0003705200000000 ] - [ 0.0018476900000000, 0.0012738600000000, 0.0003440400000000 ] - [ 0.0016053200000000, -0.0007472300000000, 0.0003393400000000 ] - [ 0.0014552300000000, -0.0055853500000000, 0.0011641200000000 ] - [ 0.0009152400000000, 0.0010629800000000, -0.0020509400000000 ] - [ -0.0019339700000000, 0.0007853700000000, -0.0000008800000000 ] - [ -0.0001758900000000, 0.0000405400000000, -0.0000004000000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039595100000000, -0.0033721300000000, -0.0006679700000000 ] - [ 0.0005655400000000, -0.0004748300000000, -0.0001291000000000 ] - [ 0.0069676100000000, 0.0043070900000000, 0.0025741100000000 ] - [ 0.0002487500000000, -0.0001590000000000, -0.0002849300000000 ] - [ -0.0016815800000000, 0.0044287600000000, -0.0025578900000000 ] - [ -0.0003623300000000, 0.0007782100000000, -0.0002209700000000 ] - [ -0.0033964500000000, -0.0010458000000000, -0.0002853100000000 ] - [ -0.0005882300000000, 0.0002307300000000, -0.0003642900000000 ] - [ -0.0045307700000000, 0.0013965300000000, 0.0000585400000000 ] - [ -0.0002760000000000, 0.0005374000000000, 0.0006712000000000 ] - [ -0.0054426100000000, -0.0024336600000000, 0.0006136000000000 ] - [ -0.0001969800000000, -0.0007210100000000, 0.0003318200000000 ] - [ -0.0002518100000000, -0.0042327500000000, -0.0057219600000000 ] - [ -0.0002530700000000, -0.0002119500000000, 0.0009160100000000 ] - [ -0.0014123700000000, 0.0044018600000000, 0.0077759900000000 ] - [ -0.0000362500000000, -0.0004406100000000, -0.0003142900000000 ] - [ -0.0093984200000000, -0.0009454600000000, -0.0017192600000000 ] - [ -0.0010103500000000, -0.0000133800000000, -0.0003284500000000 ] - [ 0.0028848700000000, -0.0045915500000000, 0.0012124900000000 ] - [ 0.0002614200000000, -0.0004211300000000, -0.0006760000000000 ] - [ 0.0023463200000000, 0.0014248700000000, -0.0014855600000000 ] - [ 0.0001307100000000, 0.0009183500000000, 0.0005847200000000 ] - [ -0.0015387900000000, -0.0021863300000000, 0.0000097800000000 ] - [ 0.0001026500000000, 0.0000045400000000, -0.0001840000000000 ] - [ -0.0022476600000000, -0.0039946300000000, -0.0031882000000000 ] - [ -0.0002918800000000, -0.0009387000000000, -0.0000449400000000 ] - [ 0.0019053400000000, -0.0028123300000000, 0.0069218600000000 ] - [ -0.0002051000000000, 0.0002182400000000, -0.0010035800000000 ] - [ -0.0000041800000000, 0.0018547500000000, -0.0035990700000000 ] - [ -0.0000572600000000, 0.0013657700000000, 0.0012005900000000 ] - [ 0.0051634300000000, 0.0015780800000000, 0.0024499600000000 ] - [ 0.0009729600000000, 0.0007652600000000, -0.0005596500000000 ] - [ 0.0014119400000000, 0.0028543900000000, -0.0016552700000000 ] - [ 0.0005091900000000, 0.0009118100000000, 0.0002277400000000 ] - [ 0.0010056200000000, -0.0027188900000000, -0.0009428700000000 ] - [ -0.0005747500000000, -0.0012168600000000, 0.0001792500000000 ] - [ -0.0056476900000000, -0.0024843700000000, 0.0002654000000000 ] - [ -0.0003117200000000, -0.0010103300000000, 0.0004875100000000 ] - [ -0.0045398100000000, 0.0016425100000000, 0.0036804400000000 ] - [ -0.0007480300000000, 0.0004306300000000, 0.0002699200000000 ] - [ -0.0069945200000000, 0.0010485000000000, -0.0026427100000000 ] - [ 0.0003495000000000, 0.0004391200000000, 0.0004413800000000 ] - [ 0.0067972800000000, -0.0004330100000000, -0.0006152100000000 ] - [ 0.0003904300000000, 0.0008282300000000, -0.0005822000000000 ] - [ 0.0023311200000000, 0.0027603300000000, -0.0006275100000000 ] - [ 0.0006663500000000, -0.0001779600000000, -0.0001955400000000 ] - [ -0.0003356400000000, -0.0037999100000000, 0.0000723600000000 ] - [ -0.0007254400000000, -0.0005446700000000, -0.0004198700000000 ] - [ -0.0061098800000000, -0.0080992700000000, 0.0054086500000000 ] - [ 0.0004714400000000, -0.0011007400000000, -0.0006077400000000 ] - [ -0.0185117800000000, 0.0062663900000000, -0.0059079700000000 ] - [ -0.0007150500000000, -0.0002215500000000, 0.0015115400000000 ] - [ 0.0086062500000000, -0.0092951300000000, 0.0145573200000000 ] - [ 0.0016924100000000, -0.0004182200000000, -0.0007929500000000 ] - [ -0.0204823500000000, -0.0068090700000000, -0.0236314800000000 ] - [ -0.0004971100000000, -0.0004338300000000, 0.0002840800000000 ] - [ -0.0042406600000000, 0.0168506500000000, 0.0079790900000000 ] - [ 0.0001948200000000, 0.0011302500000000, -0.0007074500000000 ] - [ -0.0003265300000000, 0.0100255200000000, 0.0016155300000000 ] - [ 0.0001565400000000, 0.0005416500000000, 0.0003135600000000 ] - [ -0.0086700000000000, -0.0028537600000000, 0.0019462300000000 ] - [ 0.0002366000000000, -0.0016400500000000, -0.0026016700000000 ] - [ -0.0071929900000000, 0.0013777000000000, 0.0078852800000000 ] - [ 0.0009296000000000, 0.0001765200000000, -0.0002571300000000 ] - [ -0.0026889500000000, -0.0081916900000000, -0.0023232500000000 ] - [ -0.0009495300000000, -0.0019225700000000, 0.0022600500000000 ] - [ 0.0009837600000000, 0.0048735500000000, -0.0012413700000000 ] - [ -0.0005510600000000, 0.0018555400000000, 0.0023532800000000 ] - [ 0.0005747400000000, -0.0048141500000000, -0.0022233000000000 ] - [ -0.0014825500000000, -0.0003040900000000, -0.0009084100000000 ] - [ 0.0622019500000000, 0.0001402200000000, 0.0002316200000000 ] - [ 0.0006530600000000, -0.0000018300000000, 0.0001958400000000 ] - [ -0.0034639300000000, 0.0000162200000000, -0.0001932100000000 ] - [ -0.0004104000000000, 0.0000017000000000, -0.0001952000000000 ] - [ 0.0071685800000000, 0.0000910400000000, -0.0002975000000000 ] - [ 0.0067853300000000, 0.0002000300000000, -0.0003602000000000 ] - [ -0.0018401100000000, -0.0012610900000000, 0.0003321800000000 ] - [ -0.0016046600000000, 0.0007551100000000, 0.0003282000000000 ] - [ 0.0002556300000000, 0.0083660600000000, -0.0040388100000000 ] - [ 0.0008110800000000, 0.0017606100000000, -0.0008418200000000 ] - [ 0.0019289300000000, -0.0007670900000000, -0.0000008600000000 ] - [ 0.0001759700000000, -0.0000393700000000, -0.0000001800000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0030005400000000, -0.0034521100000000, 0.0017972200000000 ] - [ 0.0002387900000000, 0.0001844500000000, -0.0017189200000000 ] - [ -0.0044898800000000, -0.0008724900000000, 0.0017972200000000 ] - [ 0.0000403400000000, -0.0002990200000000, -0.0017189200000000 ] - [ 0.0014893400000000, 0.0043246000000000, 0.0017972200000000 ] - [ -0.0002791300000000, 0.0001145700000000, -0.0017189200000000 ] - [ -0.0029230300000000, 0.0011899400000000, 0.0091279300000000 ] - [ 0.0006978000000000, 0.0000467600000000, -0.0022279900000000 ] - [ 0.0024920400000000, 0.0019364400000000, 0.0091279300000000 ] - [ -0.0003084100000000, -0.0006276900000000, -0.0022279900000000 ] - [ 0.0004309900000000, -0.0031263900000000, 0.0091279300000000 ] - [ -0.0003894000000000, 0.0005809300000000, -0.0022279900000000 ] - [ 0.0061361700000000, -0.0060690900000000, 0.0006007300000000 ] - [ -0.0007402100000000, 0.0014238400000000, -0.0025420100000000 ] - [ -0.0083240800000000, -0.0022795300000000, 0.0006007300000000 ] - [ 0.0016031900000000, -0.0000708800000000, -0.0025420100000000 ] - [ 0.0021879000000000, 0.0083486300000000, 0.0006007300000000 ] - [ -0.0008629800000000, -0.0013529600000000, -0.0025420100000000 ] - [ -0.0027926400000000, 0.0025399000000000, 0.0005369200000000 ] - [ 0.0000463300000000, -0.0003579800000000, -0.0016160200000000 ] - [ 0.0035959400000000, 0.0011485500000000, 0.0005369200000000 ] - [ -0.0003331900000000, 0.0001388700000000, -0.0016160200000000 ] - [ -0.0008033000000000, -0.0036884500000000, 0.0005369200000000 ] - [ 0.0002868600000000, 0.0002191100000000, -0.0016160200000000 ] - [ -0.0001787000000000, -0.0041918200000000, 0.0001821100000000 ] - [ -0.0000745900000000, -0.0000296500000000, -0.0019499400000000 ] - [ -0.0035408700000000, 0.0022506700000000, 0.0001821100000000 ] - [ 0.0000116200000000, 0.0000794200000000, -0.0019499400000000 ] - [ 0.0037195700000000, 0.0019411500000000, 0.0001821100000000 ] - [ 0.0000629700000000, -0.0000497700000000, -0.0019499400000000 ] - [ -0.0044325200000000, 0.0001356600000000, -0.0014028200000000 ] - [ 0.0001221300000000, 0.0006996300000000, -0.0017773800000000 ] - [ 0.0023337500000000, 0.0037708400000000, -0.0014028200000000 ] - [ 0.0005448300000000, -0.0004555800000000, -0.0017773800000000 ] - [ 0.0020987700000000, -0.0039065000000000, -0.0014028200000000 ] - [ -0.0006669600000000, -0.0002440500000000, -0.0017773800000000 ] - [ -0.0003619900000000, -0.0040615500000000, 0.0103782900000000 ] - [ 0.0004946500000000, -0.0004298000000000, -0.0022858400000000 ] - [ -0.0033364100000000, 0.0023442700000000, 0.0103782900000000 ] - [ -0.0006195500000000, -0.0002134800000000, -0.0022858400000000 ] - [ 0.0036984000000000, 0.0017172800000000, 0.0103782900000000 ] - [ 0.0001248900000000, 0.0006432900000000, -0.0022858400000000 ] - [ -0.0035800300000000, 0.0012655900000000, 0.0053528400000000 ] - [ 0.0006737300000000, 0.0009190100000000, -0.0028703500000000 ] - [ 0.0028860500000000, 0.0024676000000000, 0.0053528400000000 ] - [ 0.0004590200000000, -0.0010429700000000, -0.0028703500000000 ] - [ 0.0006939800000000, -0.0037332000000000, 0.0053528400000000 ] - [ -0.0011327500000000, 0.0001239600000000, -0.0028703500000000 ] - [ -0.0129655200000000, -0.0116624900000000, -0.0022837400000000 ] - [ 0.0010952600000000, 0.0011047500000000, 0.0041141500000000 ] - [ 0.0165827700000000, -0.0053972300000000, -0.0022837400000000 ] - [ -0.0015043700000000, 0.0003961500000000, 0.0041141500000000 ] - [ -0.0140008400000000, -0.0140150800000000, -0.0037368100000000 ] - [ 0.0012830400000000, 0.0005404700000000, 0.0034250600000000 ] - [ 0.0191378400000000, -0.0051175400000000, -0.0037368100000000 ] - [ -0.0011095800000000, 0.0008409100000000, 0.0034250600000000 ] - [ -0.0051370000000000, 0.0191326200000000, -0.0037368100000000 ] - [ -0.0001734500000000, -0.0013813800000000, 0.0034250600000000 ] - [ -0.0036172500000000, 0.0170597200000000, -0.0022837400000000 ] - [ 0.0004091100000000, -0.0015009000000000, 0.0041141500000000 ] - [ -0.0032467400000000, -0.0030451500000000, -0.0044554300000000 ] - [ 0.0013783000000000, -0.0011078000000000, 0.0013407000000000 ] - [ -0.0024255100000000, 0.0012779400000000, -0.0015333600000000 ] - [ 0.0020071300000000, -0.0004915800000000, 0.0042698100000000 ] - [ 0.0023194800000000, 0.0014615800000000, -0.0015333600000000 ] - [ -0.0014292900000000, -0.0014924300000000, 0.0042698100000000 ] - [ 0.0001060300000000, -0.0027395200000000, -0.0015333600000000 ] - [ -0.0005778400000000, 0.0019840200000000, 0.0042698100000000 ] - [ -0.0010138100000000, 0.0043343300000000, -0.0044554300000000 ] - [ -0.0016485300000000, -0.0006397400000000, 0.0013407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0764499900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056487300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0204322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0174503500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023664400000000 ] - [ 0.0042605500000000, -0.0012891800000000, -0.0044554300000000 ] - [ 0.0002702300000000, 0.0017475400000000, 0.0013407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036934200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020025200000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020888900000000, 0.0032878900000000, -0.0021998500000000 ] - [ 0.0007031900000000, -0.0003490500000000, 0.0013015800000000 ] - [ 0.0038918400000000, 0.0001650800000000, -0.0021998500000000 ] - [ -0.0006538800000000, -0.0004344500000000, 0.0013015800000000 ] - [ -0.0018029600000000, -0.0034529800000000, -0.0021998500000000 ] - [ -0.0000493100000000, 0.0007835000000000, 0.0013015800000000 ] - [ 0.0016029900000000, -0.0010313200000000, -0.0090994000000000 ] - [ -0.0016174100000000, 0.0001101800000000, 0.0026454700000000 ] - [ -0.0016946500000000, -0.0008725700000000, -0.0090994000000000 ] - [ 0.0009041200000000, 0.0013456300000000, 0.0026454700000000 ] - [ 0.0000916500000000, 0.0019038900000000, -0.0090994000000000 ] - [ 0.0007132900000000, -0.0014558100000000, 0.0026454700000000 ] - [ -0.0057867700000000, 0.0066829100000000, -0.0002031400000000 ] - [ 0.0011855700000000, -0.0008587900000000, 0.0027443200000000 ] - [ 0.0086809600000000, 0.0016700300000000, -0.0002031400000000 ] - [ -0.0013365200000000, -0.0005973400000000, 0.0027443200000000 ] - [ -0.0028941900000000, -0.0083529500000000, -0.0002031400000000 ] - [ 0.0001509500000000, 0.0014561300000000, 0.0027443200000000 ] - [ 0.0023666900000000, -0.0031178300000000, -0.0007347400000000 ] - [ -0.0004795300000000, -0.0002180000000000, 0.0014308800000000 ] - [ -0.0038834700000000, -0.0004907000000000, -0.0007347400000000 ] - [ 0.0000509800000000, 0.0005242800000000, 0.0014308800000000 ] - [ 0.0015167700000000, 0.0036085300000000, -0.0007347400000000 ] - [ 0.0004285500000000, -0.0003062900000000, 0.0014308800000000 ] - [ 0.0007332600000000, 0.0029225400000000, -0.0000558800000000 ] - [ 0.0006222500000000, -0.0012395900000000, 0.0020446500000000 ] - [ 0.0021643600000000, -0.0020962900000000, -0.0000558800000000 ] - [ -0.0013846400000000, 0.0000809100000000, 0.0020446500000000 ] - [ -0.0028976200000000, -0.0008262500000000, -0.0000558800000000 ] - [ 0.0007623900000000, 0.0011586800000000, 0.0020446500000000 ] - [ 0.0038754600000000, 0.0011250400000000, 0.0013002800000000 ] - [ -0.0006674700000000, 0.0005618100000000, 0.0016891800000000 ] - [ -0.0009634200000000, -0.0039187700000000, 0.0013002800000000 ] - [ 0.0008202700000000, 0.0002971500000000, 0.0016891800000000 ] - [ -0.0029120400000000, 0.0027937300000000, 0.0013002800000000 ] - [ -0.0001528000000000, -0.0008589500000000, 0.0016891800000000 ] - [ 0.0002927400000000, 0.0024525300000000, -0.0095448400000000 ] - [ -0.0005482900000000, -0.0011757800000000, 0.0030733400000000 ] - [ 0.0019775800000000, -0.0014797900000000, -0.0095448400000000 ] - [ -0.0007441100000000, 0.0010627200000000, 0.0030733400000000 ] - [ -0.0022703200000000, -0.0009727400000000, -0.0095448400000000 ] - [ 0.0012924000000000, 0.0001130600000000, 0.0030733400000000 ] - [ 0.0036466000000000, 0.0003349900000000, -0.0061578800000000 ] - [ -0.0006178800000000, 0.0006823200000000, 0.0020904000000000 ] - [ -0.0015331900000000, -0.0033255500000000, -0.0061578800000000 ] - [ 0.0008998500000000, 0.0001939400000000, 0.0020904000000000 ] - [ -0.0021134100000000, 0.0029905500000000, -0.0061578800000000 ] - [ -0.0002819700000000, -0.0008762600000000, 0.0020904000000000 ] - [ 0.0130766500000000, 0.0113791000000000, 0.0030630900000000 ] - [ -0.0010026100000000, -0.0014256500000000, -0.0033347100000000 ] - [ -0.0163929100000000, 0.0056351600000000, 0.0030630900000000 ] - [ 0.0017359600000000, -0.0001554600000000, -0.0033347100000000 ] - [ 0.0142582900000000, 0.0138740800000000, 0.0028365300000000 ] - [ -0.0009713200000000, -0.0006405800000000, -0.0042139100000000 ] - [ -0.0191444500000000, 0.0054110100000000, 0.0028365300000000 ] - [ 0.0010404200000000, -0.0005209000000000, -0.0042139100000000 ] - [ 0.0048861600000000, -0.0192850900000000, 0.0028365300000000 ] - [ -0.0000691000000000, 0.0011614800000000, -0.0042139100000000 ] - [ 0.0033162600000000, -0.0170142600000000, 0.0030630900000000 ] - [ -0.0007333500000000, 0.0015811100000000, -0.0033347100000000 ] - [ 0.0048256700000000, 0.0001322200000000, 0.0015441500000000 ] - [ 0.0001968500000000, -0.0017990800000000, -0.0042297900000000 ] - [ 0.0057442600000000, -0.0013677800000000, 0.0044560900000000 ] - [ 0.0013000100000000, 0.0004060000000000, -0.0013847600000000 ] - [ -0.0040566600000000, -0.0042907800000000, 0.0044560900000000 ] - [ -0.0002984000000000, -0.0013288400000000, -0.0013847600000000 ] - [ -0.0016876000000000, 0.0056585600000000, 0.0044560900000000 ] - [ -0.0010016100000000, 0.0009228400000000, -0.0013847600000000 ] - [ -0.0022983300000000, -0.0042452700000000, 0.0015441500000000 ] - [ -0.0016564700000000, 0.0007290600000000, -0.0042297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0775606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033598500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028829300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0213974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016807500000000 ] - [ -0.0025273500000000, 0.0041130500000000, 0.0015441500000000 ] - [ 0.0014596200000000, 0.0010700100000000, -0.0042297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020058200000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003781300000000, 0.0003049700000000, -0.0002167300000000 ] - [ -0.0027504100000000, 0.0039843900000000, -0.0010873200000000 ] - [ -0.0010938600000000, -0.0006231300000000, -0.0002872300000000 ] - [ -0.0062050300000000, -0.0035941900000000, 0.0011562000000000 ] - [ -0.0000526700000000, -0.0000549800000000, -0.0001354500000000 ] - [ 0.0015562800000000, -0.0014345500000000, -0.0006937900000000 ] - [ 0.0107723300000000, 0.0014502600000000, -0.0087144100000000 ] - [ -0.0003835100000000, 0.0000069100000000, -0.0001399600000000 ] - [ 0.0070296300000000, 0.0037187800000000, 0.0047965900000000 ] - [ 0.0009212400000000, 0.0002599100000000, 0.0003997200000000 ] - [ 0.0077014600000000, -0.0024540800000000, 0.0050373400000000 ] - [ 0.0005503300000000, -0.0001178900000000, 0.0003809200000000 ] - [ 0.0004544300000000, 0.0004963600000000, 0.0003887200000000 ] - [ 0.0154243100000000, -0.0008086200000000, 0.0085963000000000 ] - [ 0.0003962500000000, -0.0004878000000000, -0.0003007700000000 ] - [ 0.0103862600000000, 0.0050429400000000, -0.0062989700000000 ] - [ 0.0002183800000000, 0.0000781700000000, 0.0001883100000000 ] - [ 0.0067757700000000, -0.0026694000000000, -0.0025340500000000 ] - [ -0.0046309400000000, 0.0044749000000000, 0.0006088100000000 ] - [ -0.0004040400000000, -0.0001487200000000, -0.0003622400000000 ] - [ -0.0035295800000000, -0.0019179100000000, -0.0014910800000000 ] - [ -0.0003182300000000, 0.0001616300000000, 0.0002302400000000 ] - [ 0.0024989200000000, 0.0021107200000000, 0.0005872200000000 ] - [ 0.0004305600000000, -0.0000453000000000, -0.0001388900000000 ] - [ 0.0004562200000000, -0.0004595900000000, 0.0001932300000000 ] - [ 0.0034987800000000, 0.0052693100000000, -0.0002692400000000 ] - [ -0.0008428000000000, 0.0001206400000000, -0.0003581100000000 ] - [ -0.0104700600000000, 0.0028572400000000, 0.0054879300000000 ] - [ 0.0004865700000000, 0.0003544400000000, 0.0003168300000000 ] - [ -0.0001982100000000, -0.0063410700000000, -0.0050141700000000 ] - [ -0.0075130500000000, -0.0000175200000000, -0.0010143600000000 ] - [ -0.0006315100000000, 0.0004537500000000, -0.0002290400000000 ] - [ 0.0001396100000000, -0.0040582400000000, 0.0005974800000000 ] - [ 0.0007718500000000, -0.0002711900000000, 0.0002117900000000 ] - [ -0.0013591400000000, 0.0029300200000000, 0.0002375600000000 ] - [ -0.0004862800000000, -0.0003436000000000, -0.0001292100000000 ] - [ 0.0009217300000000, -0.0003197700000000, 0.0008403200000000 ] - [ 0.0030637200000000, 0.0024699100000000, -0.0039160800000000 ] - [ -0.0010580700000000, 0.0001844400000000, -0.0014197100000000 ] - [ -0.0016134300000000, 0.0026153500000000, 0.0061230100000000 ] - [ 0.0016180200000000, -0.0006877100000000, 0.0017789800000000 ] - [ 0.0027033900000000, -0.0004063100000000, -0.0009896100000000 ] - [ -0.0046207100000000, 0.0015094800000000, 0.0026998900000000 ] - [ -0.0009910600000000, 0.0009505100000000, -0.0013152500000000 ] - [ -0.0002310800000000, -0.0020778200000000, -0.0020714100000000 ] - [ 0.0005029600000000, -0.0010169000000000, 0.0004298500000000 ] - [ -0.0014426800000000, 0.0023705700000000, -0.0018244800000000 ] - [ -0.0006638300000000, 0.0001558700000000, -0.0003141000000000 ] - [ 0.0063614400000000, 0.0099370700000000, 0.0049095400000000 ] - [ -0.0004221800000000, -0.0001002600000000, -0.0006346100000000 ] - [ 0.0221170800000000, -0.0061707500000000, -0.0054848400000000 ] - [ 0.0003295800000000, 0.0002497400000000, 0.0014513600000000 ] - [ -0.0006821600000000, 0.0005188400000000, -0.0012354200000000 ] - [ -0.0096162700000000, 0.0063569500000000, 0.0069671000000000 ] - [ 0.0006650000000000, 0.0010469100000000, 0.0010710400000000 ] - [ 0.0174103200000000, 0.0031836900000000, -0.0168177500000000 ] - [ 0.0000550500000000, -0.0007231500000000, -0.0010688800000000 ] - [ 0.0006594200000000, -0.0190475400000000, 0.0084933400000000 ] - [ -0.0001549900000000, -0.0115255900000000, 0.0019142900000000 ] - [ -0.0002307000000000, -0.0004015600000000, 0.0004080500000000 ] - [ 0.0012598300000000, -0.0009732200000000, -0.0026675400000000 ] - [ 0.0095915200000000, -0.0000172000000000, 0.0023624400000000 ] - [ 0.0113262800000000, -0.0016608700000000, 0.0068900800000000 ] - [ 0.0026002600000000, -0.0002966300000000, 0.0001726100000000 ] - [ 0.0008121600000000, 0.0059832600000000, -0.0017464600000000 ] - [ -0.0006418500000000, -0.0008414600000000, 0.0018715000000000 ] - [ -0.0029068400000000, -0.0025597000000000, -0.0007349400000000 ] - [ -0.0009048700000000, 0.0009749100000000, 0.0023093500000000 ] - [ -0.0020359300000000, 0.0003384400000000, -0.0008874900000000 ] - [ -0.0034337900000000, 0.0054713900000000, -0.0025293600000000 ] - [ -0.0071522400000000, 0.0000868000000000, 0.0001548800000000 ] - [ -0.0067872900000000, 0.0001958600000000, 0.0002231200000000 ] - [ 0.0018429800000000, -0.0012569400000000, -0.0001901400000000 ] - [ 0.0016045500000000, 0.0007571100000000, -0.0001961500000000 ] - [ -0.0740984100000000, -0.0003549400000000, -0.0003206900000000 ] - [ -0.0005159500000000, -0.0000004600000000, -0.0003315300000000 ] - [ 0.0003053300000000, 0.0000011400000000, 0.0003281200000000 ] - [ 0.0038295100000000, 0.0000166700000000, 0.0003261000000000 ] - [ 0.0010646700000000, 0.0010460000000000, -0.0008080400000000 ] - [ 0.0009071400000000, -0.0043514900000000, -0.0042206600000000 ] - [ -0.0006964600000000, -0.0000519900000000, -0.0000033300000000 ] - [ -0.0006291500000000, 0.0001937700000000, 0.0000033400000000 ]- atom: 75 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005773900000000, -0.0004820300000000, -0.0002024400000000 ] - [ 0.0037009800000000, -0.0041654600000000, 0.0006750500000000 ] - [ 0.0004702700000000, -0.0001162200000000, -0.0001323800000000 ] - [ 0.0055949600000000, 0.0028215400000000, -0.0015561200000000 ] - [ -0.0002815000000000, 0.0009745700000000, -0.0002822900000000 ] - [ -0.0019224600000000, 0.0023258200000000, 0.0002765100000000 ] - [ -0.0123793800000000, -0.0012996900000000, 0.0097936700000000 ] - [ -0.0005777100000000, 0.0001695300000000, 0.0005618700000000 ] - [ -0.0063847900000000, -0.0028292600000000, -0.0042459000000000 ] - [ -0.0002938900000000, 0.0004808200000000, 0.0000202900000000 ] - [ -0.0072996300000000, 0.0013345600000000, -0.0044416300000000 ] - [ -0.0002150600000000, -0.0008011200000000, 0.0000375300000000 ] - [ -0.0000278000000000, 0.0000612900000000, -0.0001974600000000 ] - [ -0.0155514900000000, 0.0016535700000000, -0.0090000900000000 ] - [ -0.0001229000000000, -0.0001676000000000, 0.0004939700000000 ] - [ -0.0097343600000000, -0.0054073600000000, 0.0060500200000000 ] - [ -0.0009258500000000, 0.0000122100000000, 0.0000048300000000 ] - [ -0.0075808800000000, 0.0027560100000000, 0.0027332500000000 ] - [ 0.0042237700000000, -0.0050664200000000, -0.0008185500000000 ] - [ -0.0000261900000000, -0.0004121800000000, 0.0001747700000000 ] - [ 0.0032754800000000, 0.0025371200000000, 0.0012756400000000 ] - [ 0.0000485600000000, 0.0004917500000000, -0.0004195100000000 ] - [ -0.0018046800000000, -0.0022312200000000, -0.0007772500000000 ] - [ 0.0002758000000000, -0.0000462000000000, -0.0000515000000000 ] - [ 0.0001038700000000, -0.0007801100000000, -0.0000809000000000 ] - [ -0.0029749100000000, -0.0065217400000000, 0.0003632800000000 ] - [ -0.0005151400000000, 0.0000134700000000, 0.0004688100000000 ] - [ 0.0090401300000000, -0.0027043000000000, -0.0052990700000000 ] - [ 0.0003047500000000, 0.0007525100000000, -0.0002036300000000 ] - [ 0.0009431300000000, 0.0075069900000000, 0.0051700600000000 ] - [ 0.0069726600000000, 0.0012538000000000, 0.0008770300000000 ] - [ 0.0000714000000000, 0.0007881100000000, 0.0001219800000000 ] - [ 0.0012370100000000, 0.0039415100000000, -0.0007202600000000 ] - [ 0.0005867900000000, 0.0001377400000000, -0.0003196200000000 ] - [ 0.0005879900000000, -0.0040519900000000, -0.0003687200000000 ] - [ -0.0003061200000000, -0.0007630900000000, 0.0000181800000000 ] - [ -0.0010012700000000, -0.0012805200000000, -0.0000324900000000 ] - [ -0.0031393200000000, -0.0040868200000000, 0.0047413800000000 ] - [ -0.0002865500000000, 0.0006817800000000, 0.0022263400000000 ] - [ 0.0002758500000000, -0.0017636200000000, -0.0052906500000000 ] - [ -0.0002012000000000, 0.0014333200000000, -0.0009772000000000 ] - [ -0.0013194000000000, 0.0011538100000000, 0.0017810800000000 ] - [ 0.0046784700000000, 0.0001002400000000, -0.0035244700000000 ] - [ 0.0010614300000000, 0.0006494300000000, 0.0005166100000000 ] - [ 0.0016164300000000, 0.0012272000000000, 0.0012722300000000 ] - [ 0.0008521300000000, 0.0001533600000000, -0.0012382000000000 ] - [ 0.0000274000000000, -0.0031543700000000, 0.0010385500000000 ] - [ -0.0007569500000000, -0.0009037400000000, -0.0004923500000000 ] - [ -0.0064259100000000, -0.0102602800000000, -0.0040459300000000 ] - [ 0.0004832000000000, -0.0002324300000000, 0.0014439600000000 ] - [ -0.0219699000000000, 0.0064167200000000, 0.0064467600000000 ] - [ -0.0000698900000000, -0.0000215500000000, -0.0006482100000000 ] - [ 0.0010192300000000, -0.0006351300000000, 0.0004231500000000 ] - [ 0.0101592800000000, -0.0064304300000000, -0.0077824100000000 ] - [ -0.0007317000000000, -0.0007127500000000, -0.0018838000000000 ] - [ -0.0174352200000000, -0.0027030200000000, 0.0157981700000000 ] - [ -0.0003100100000000, 0.0004953700000000, 0.0002538000000000 ] - [ -0.0008927400000000, 0.0189078100000000, -0.0093511100000000 ] - [ -0.0002045900000000, 0.0117642900000000, -0.0010862200000000 ] - [ -0.0001012100000000, 0.0005177300000000, 0.0004035700000000 ] - [ 0.0003166900000000, -0.0019290100000000, -0.0002267100000000 ] - [ -0.0080438700000000, -0.0028948300000000, -0.0053148800000000 ] - [ -0.0079888400000000, 0.0015342200000000, -0.0039112200000000 ] - [ 0.0006988800000000, 0.0002056100000000, 0.0027205700000000 ] - [ -0.0025282300000000, -0.0088461800000000, 0.0046671300000000 ] - [ -0.0010833000000000, -0.0019789800000000, 0.0010289800000000 ] - [ 0.0013592300000000, 0.0054613500000000, 0.0036354000000000 ] - [ -0.0006715400000000, 0.0019258300000000, 0.0005854800000000 ] - [ -0.0012627100000000, -0.0002511200000000, -0.0020176400000000 ] - [ 0.0001316900000000, -0.0053909600000000, -0.0003671800000000 ] - [ 0.0071756800000000, -0.0000943400000000, 0.0001609700000000 ] - [ 0.0067920700000000, -0.0002181200000000, 0.0002288500000000 ] - [ -0.0018451300000000, 0.0012774100000000, -0.0001959700000000 ] - [ -0.0016053800000000, -0.0007454200000000, -0.0002016600000000 ] - [ 0.0749925300000000, -0.0003543600000000, -0.0003352300000000 ] - [ 0.0005138700000000, -0.0000007800000000, -0.0003411300000000 ] - [ -0.0003033200000000, 0.0000009500000000, 0.0003391800000000 ] - [ -0.0038343400000000, 0.0000166100000000, 0.0003369600000000 ] - [ 0.0006585500000000, 0.0017753100000000, -0.0020984500000000 ] - [ 0.0007829800000000, 0.0071531400000000, 0.0013138800000000 ] - [ 0.0006979100000000, 0.0000586700000000, -0.0000028400000000 ] - [ 0.0006287700000000, -0.0001883200000000, 0.0000035900000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011035800000000, -0.0003289400000000, -0.0022298000000000 ] - [ -0.0028980300000000, 0.0039827800000000, 0.0006652900000000 ] - [ -0.0008366600000000, -0.0007912600000000, -0.0022298000000000 ] - [ 0.0048982100000000, 0.0005183800000000, 0.0006652900000000 ] - [ -0.0002669200000000, 0.0011202000000000, -0.0022298000000000 ] - [ -0.0020001800000000, -0.0045011600000000, 0.0006652900000000 ] - [ -0.0050374100000000, -0.0016214600000000, 0.0147034700000000 ] - [ -0.0011759400000000, 0.0001971900000000, -0.0023439200000000 ] - [ 0.0011144800000000, 0.0051732500000000, 0.0147034700000000 ] - [ 0.0007587500000000, 0.0009198000000000, -0.0023439200000000 ] - [ 0.0039229300000000, -0.0035517900000000, 0.0147034700000000 ] - [ 0.0004172000000000, -0.0011169900000000, -0.0023439200000000 ] - [ 0.0005146100000000, 0.0002892500000000, -0.0024123200000000 ] - [ 0.0071941200000000, 0.0005249700000000, 0.0129738000000000 ] - [ -0.0000068100000000, -0.0005902900000000, -0.0024123200000000 ] - [ -0.0031424200000000, -0.0064927800000000, 0.0129738000000000 ] - [ -0.0005078000000000, 0.0003010400000000, -0.0024123200000000 ] - [ -0.0040517000000000, 0.0059678000000000, 0.0129738000000000 ] - [ 0.0031021900000000, -0.0038158300000000, 0.0029524400000000 ] - [ -0.0005711500000000, 0.0001283800000000, -0.0020093200000000 ] - [ -0.0048557000000000, -0.0007786700000000, 0.0029524400000000 ] - [ 0.0003967500000000, 0.0004304500000000, -0.0020093200000000 ] - [ 0.0017535100000000, 0.0045944900000000, 0.0029524400000000 ] - [ 0.0001744000000000, -0.0005588200000000, -0.0020093200000000 ] - [ -0.0000898800000000, -0.0013350600000000, -0.0032638200000000 ] - [ 0.0007418700000000, 0.0052200200000000, 0.0054383900000000 ] - [ -0.0011112600000000, 0.0007453700000000, -0.0032638200000000 ] - [ 0.0041497400000000, -0.0032524900000000, 0.0054383900000000 ] - [ 0.0012011400000000, 0.0005897000000000, -0.0032638200000000 ] - [ -0.0048916000000000, -0.0019675300000000, 0.0054383900000000 ] - [ 0.0043724500000000, 0.0015324200000000, 0.0066177300000000 ] - [ -0.0007008100000000, 0.0002613000000000, -0.0029317900000000 ] - [ -0.0008591100000000, -0.0045528700000000, 0.0066177300000000 ] - [ 0.0005767000000000, 0.0004762700000000, -0.0029317900000000 ] - [ -0.0035133400000000, 0.0030204500000000, 0.0066177300000000 ] - [ 0.0001241100000000, -0.0007375700000000, -0.0029317900000000 ] - [ 0.0013853900000000, -0.0023494300000000, -0.0032689100000000 ] - [ -0.0001452200000000, 0.0030015500000000, -0.0024409000000000 ] - [ -0.0027273600000000, -0.0000250600000000, -0.0032689100000000 ] - [ 0.0026720300000000, -0.0013750100000000, -0.0024409000000000 ] - [ 0.0013419800000000, 0.0023745000000000, -0.0032689100000000 ] - [ -0.0025268100000000, -0.0016265400000000, -0.0024409000000000 ] - [ 0.0034735600000000, 0.0000125400000000, -0.0017144700000000 ] - [ 0.0000395400000000, 0.0009230900000000, -0.0029426800000000 ] - [ -0.0017259200000000, -0.0030144600000000, -0.0017144700000000 ] - [ 0.0007796500000000, -0.0004957900000000, -0.0029426800000000 ] - [ -0.0017476400000000, 0.0030019200000000, -0.0017144700000000 ] - [ -0.0008191900000000, -0.0004273100000000, -0.0029426800000000 ] - [ 0.0144679200000000, 0.0128741800000000, -0.0035692100000000 ] - [ -0.0005227000000000, -0.0006853800000000, 0.0046962700000000 ] - [ -0.0183833300000000, 0.0060925000000000, -0.0035692100000000 ] - [ 0.0008549100000000, -0.0001099800000000, 0.0046962700000000 ] - [ -0.0000708000000000, -0.0011347500000000, 0.0049854300000000 ] - [ 0.0145735500000000, 0.0137481900000000, 0.0027469900000000 ] - [ 0.0010181200000000, 0.0005060600000000, 0.0049854300000000 ] - [ -0.0191930600000000, 0.0057469700000000, 0.0027469900000000 ] - [ -0.0009473200000000, 0.0006286900000000, 0.0049854300000000 ] - [ 0.0046195100000000, -0.0194951600000000, 0.0027469900000000 ] - [ 0.0039154000000000, -0.0189666800000000, -0.0035692100000000 ] - [ -0.0003322100000000, 0.0007953700000000, 0.0046962700000000 ] - [ 0.0004735800000000, -0.0015822700000000, 0.0019631700000000 ] - [ 0.0047322700000000, 0.0000922600000000, -0.0033717300000000 ] - [ 0.0067290600000000, -0.0010903200000000, -0.0021123300000000 ] - [ 0.0012805000000000, -0.0001950000000000, 0.0052726800000000 ] - [ -0.0043087800000000, -0.0052823800000000, -0.0021123300000000 ] - [ -0.0008091200000000, -0.0010114400000000, 0.0052726800000000 ] - [ -0.0024202900000000, 0.0063727000000000, -0.0021123300000000 ] - [ -0.0004713800000000, 0.0012064400000000, 0.0052726800000000 ] - [ -0.0016070800000000, 0.0003810100000000, 0.0019631700000000 ] - [ -0.0022862400000000, -0.0041444000000000, -0.0033717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0212414400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0177606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012232800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1257664000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077446600000000 ] - [ 0.0011335000000000, 0.0012012700000000, 0.0019631700000000 ] - [ -0.0024460400000000, 0.0040521400000000, -0.0033717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014571100000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001446300000000, 0.0001541300000000, 0.0018093700000000 ] - [ 0.0038397900000000, -0.0041422300000000, -0.0010876200000000 ] - [ 0.0002058000000000, 0.0000481900000000, 0.0018093700000000 ] - [ -0.0055071700000000, -0.0012542400000000, -0.0010876200000000 ] - [ -0.0000611700000000, -0.0002023200000000, 0.0018093700000000 ] - [ 0.0016673800000000, 0.0053964700000000, -0.0010876200000000 ] - [ 0.0034853700000000, 0.0017741000000000, -0.0138215000000000 ] - [ 0.0002350700000000, -0.0000277500000000, 0.0027655100000000 ] - [ -0.0002062700000000, -0.0039054700000000, -0.0138215000000000 ] - [ -0.0001415700000000, -0.0001897000000000, 0.0027655100000000 ] - [ -0.0032791000000000, 0.0021313700000000, -0.0138215000000000 ] - [ -0.0000935000000000, 0.0002174500000000, 0.0027655100000000 ] - [ -0.0000766800000000, 0.0002690500000000, 0.0025985300000000 ] - [ -0.0072683100000000, 0.0002650500000000, -0.0131814400000000 ] - [ 0.0002713500000000, -0.0000681200000000, 0.0025985300000000 ] - [ 0.0038637000000000, 0.0061620200000000, -0.0131814400000000 ] - [ -0.0001946600000000, -0.0002009400000000, 0.0025985300000000 ] - [ 0.0034046100000000, -0.0064270700000000, -0.0131814400000000 ] - [ -0.0035273000000000, 0.0032414200000000, -0.0031360800000000 ] - [ 0.0001407800000000, -0.0006938200000000, 0.0018142100000000 ] - [ 0.0045708000000000, 0.0014340200000000, -0.0031360800000000 ] - [ -0.0006712500000000, 0.0002249900000000, 0.0018142100000000 ] - [ -0.0010435000000000, -0.0046754400000000, -0.0031360800000000 ] - [ 0.0005304800000000, 0.0004688300000000, 0.0018142100000000 ] - [ 0.0006481000000000, 0.0000820900000000, 0.0033677800000000 ] - [ -0.0001986300000000, -0.0064512700000000, -0.0053674300000000 ] - [ -0.0002529600000000, -0.0006023100000000, 0.0033677800000000 ] - [ -0.0054876500000000, 0.0033976600000000, -0.0053674300000000 ] - [ -0.0003951400000000, 0.0005202200000000, 0.0033677800000000 ] - [ 0.0056862800000000, 0.0030536200000000, -0.0053674300000000 ] - [ -0.0049166900000000, -0.0002819200000000, -0.0067172600000000 ] - [ 0.0001441500000000, 0.0009876600000000, 0.0028180200000000 ] - [ 0.0022141900000000, 0.0043989400000000, -0.0067172600000000 ] - [ 0.0007832700000000, -0.0006186700000000, 0.0028180200000000 ] - [ 0.0027025000000000, -0.0041170100000000, -0.0067172600000000 ] - [ -0.0009274200000000, -0.0003689900000000, 0.0028180200000000 ] - [ -0.0014457000000000, 0.0007281900000000, 0.0040626700000000 ] - [ 0.0000917500000000, -0.0046228900000000, 0.0032272200000000 ] - [ 0.0013534900000000, 0.0008879200000000, 0.0040626700000000 ] - [ -0.0040494100000000, 0.0022319800000000, 0.0032272200000000 ] - [ 0.0000922200000000, -0.0016161100000000, 0.0040626700000000 ] - [ 0.0039576600000000, 0.0023909000000000, 0.0032272200000000 ] - [ -0.0034204900000000, 0.0016015100000000, 0.0009269500000000 ] - [ 0.0000334100000000, 0.0006841600000000, 0.0021280000000000 ] - [ 0.0030971900000000, 0.0021614700000000, 0.0009269500000000 ] - [ 0.0005757900000000, -0.0003710100000000, 0.0021280000000000 ] - [ 0.0003233000000000, -0.0037629800000000, 0.0009269500000000 ] - [ -0.0006092000000000, -0.0003131500000000, 0.0021280000000000 ] - [ -0.0143832400000000, -0.0131753200000000, 0.0043786200000000 ] - [ 0.0005977000000000, 0.0003569000000000, -0.0038790900000000 ] - [ 0.0186017800000000, -0.0058685900000000, 0.0043786200000000 ] - [ -0.0006079300000000, 0.0003391800000000, -0.0038790900000000 ] - [ 0.0003942600000000, 0.0010128000000000, -0.0057840100000000 ] - [ -0.0142686000000000, -0.0139258400000000, -0.0035114900000000 ] - [ -0.0010742400000000, -0.0001649600000000, -0.0057840100000000 ] - [ 0.0191944300000000, -0.0053940500000000, -0.0035114900000000 ] - [ 0.0006799800000000, -0.0008478400000000, -0.0057840100000000 ] - [ -0.0049258300000000, 0.0193198900000000, -0.0035114900000000 ] - [ -0.0042185400000000, 0.0190439100000000, 0.0043786200000000 ] - [ 0.0000102300000000, -0.0006960700000000, -0.0038790900000000 ] - [ 0.0010994300000000, -0.0013219900000000, -0.0048622500000000 ] - [ -0.0031561400000000, -0.0029985700000000, 0.0004876900000000 ] - [ -0.0034236800000000, 0.0010037300000000, 0.0049781900000000 ] - [ 0.0020266800000000, 0.0001061800000000, -0.0023697500000000 ] - [ 0.0025810900000000, 0.0024631300000000, 0.0049781900000000 ] - [ -0.0009213800000000, -0.0018082500000000, -0.0023697500000000 ] - [ 0.0008425900000000, -0.0034668500000000, 0.0049781900000000 ] - [ -0.0011053000000000, 0.0017020600000000, -0.0023697500000000 ] - [ -0.0016945900000000, -0.0002911400000000, -0.0048622500000000 ] - [ -0.0010187600000000, 0.0042325800000000, 0.0004876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0205681000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0175803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016243100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1248852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084057800000000 ] - [ 0.0005951600000000, 0.0016131300000000, -0.0048622500000000 ] - [ 0.0041749000000000, -0.0012340100000000, 0.0004876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014475600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006939900000000, 0.0013976300000000, -0.0006209800000000 ] - [ 0.0005635300000000, 0.0001433200000000, -0.0000873800000000 ] - [ -0.0013243200000000, -0.0014553900000000, -0.0004394900000000 ] - [ -0.0004738100000000, -0.0006431800000000, -0.0001785800000000 ] - [ 0.0016539100000000, -0.0003882700000000, 0.0004173900000000 ] - [ 0.0002266700000000, 0.0002295600000000, -0.0003740000000000 ] - [ -0.0002774200000000, 0.0015790100000000, -0.0001910100000000 ] - [ -0.0003980300000000, 0.0003172500000000, 0.0003394900000000 ] - [ -0.0006953000000000, -0.0007063400000000, -0.0000111100000000 ] - [ 0.0001560800000000, 0.0001033600000000, 0.0002482800000000 ] - [ 0.0019945200000000, -0.0013110200000000, 0.0008436700000000 ] - [ 0.0005623300000000, -0.0006918500000000, 0.0000535600000000 ] - [ 0.0010196400000000, 0.0019330900000000, -0.0001595900000000 ] - [ 0.0003268300000000, 0.0006363100000000, 0.0000640800000000 ] - [ 0.0011267200000000, -0.0028906200000000, -0.0007892900000000 ] - [ 0.0002579300000000, -0.0006409700000000, 0.0000691400000000 ] - [ 0.0041885700000000, -0.0002538200000000, 0.0012248000000000 ] - [ 0.0003436200000000, 0.0000690400000000, 0.0001429000000000 ] - [ 0.0005951600000000, 0.0013666800000000, -0.0003392100000000 ] - [ -0.0000984600000000, 0.0000730500000000, -0.0001201600000000 ] - [ 0.0008504100000000, -0.0022356900000000, -0.0009749200000000 ] - [ -0.0000181200000000, 0.0000124500000000, -0.0001147100000000 ] - [ 0.0049031500000000, -0.0003470800000000, 0.0010363000000000 ] - [ 0.0010478000000000, -0.0000187100000000, -0.0000393000000000 ] - [ -0.0006232600000000, 0.0004163600000000, -0.0006098700000000 ] - [ 0.0000583700000000, -0.0003485100000000, 0.0008889800000000 ] - [ -0.0004856000000000, -0.0021036000000000, -0.0013420700000000 ] - [ -0.0006189000000000, -0.0003638000000000, 0.0010920900000000 ] - [ 0.0028025200000000, 0.0009261700000000, 0.0021041000000000 ] - [ 0.0009100000000000, 0.0007098600000000, -0.0018307600000000 ] - [ -0.0011870800000000, 0.0016396200000000, -0.0007052800000000 ] - [ -0.0005009200000000, 0.0008805800000000, 0.0007835900000000 ] - [ 0.0008565300000000, -0.0022372400000000, -0.0014397700000000 ] - [ 0.0007305800000000, -0.0004935500000000, 0.0009896200000000 ] - [ 0.0020176600000000, -0.0001791000000000, 0.0019909300000000 ] - [ 0.0001260600000000, -0.0003931000000000, -0.0019223100000000 ] - [ -0.0006206200000000, 0.0026575300000000, -0.0004156000000000 ] - [ -0.0000640600000000, -0.0006626500000000, 0.0005638900000000 ] - [ 0.0030569500000000, -0.0061341300000000, -0.0016548700000000 ] - [ -0.0005925600000000, 0.0002789500000000, 0.0005951500000000 ] - [ 0.0110486700000000, 0.0025672900000000, 0.0032876500000000 ] - [ 0.0009872500000000, 0.0004498800000000, 0.0000500400000000 ] - [ -0.0005627800000000, 0.0042371500000000, -0.0012137200000000 ] - [ 0.0000139600000000, 0.0009315600000000, -0.0002459100000000 ] - [ 0.0044241600000000, -0.0070562700000000, -0.0024713400000000 ] - [ 0.0007533400000000, -0.0005864100000000, -0.0002116500000000 ] - [ 0.0094954100000000, 0.0017892900000000, 0.0024665400000000 ] - [ -0.0004346900000000, -0.0002869400000000, -0.0007509600000000 ] - [ 0.0004036800000000, 0.0040416100000000, 0.0032164700000000 ] - [ -0.0001070600000000, 0.0007723000000000, -0.0000810000000000 ] - [ 0.0002469500000000, -0.0026477000000000, 0.0020249000000000 ] - [ -0.0000982400000000, -0.0005194800000000, 0.0000118000000000 ] - [ -0.0056205300000000, 0.0008945500000000, -0.0048493100000000 ] - [ -0.0013830000000000, 0.0001718000000000, 0.0004832400000000 ] - [ 0.0003317400000000, 0.0043851900000000, 0.0024041000000000 ] - [ -0.0001684300000000, 0.0011063500000000, -0.0008969500000000 ] - [ -0.0000254600000000, -0.0028697200000000, 0.0012212800000000 ] - [ -0.0003523400000000, -0.0007465900000000, -0.0008037700000000 ] - [ -0.0059750000000000, 0.0010048700000000, -0.0040222700000000 ] - [ -0.0017078000000000, 0.0002856500000000, 0.0012888300000000 ] - [ 0.0041300600000000, 0.0015616000000000, 0.0007570700000000 ] - [ 0.0011245900000000, -0.0017071900000000, -0.0011349400000000 ] - [ 0.0065530400000000, -0.0028629100000000, 0.0038878700000000 ] - [ 0.0020491200000000, 0.0001970900000000, 0.0019414100000000 ] - [ 0.0085219500000000, 0.0000131700000000, -0.0033730300000000 ] - [ -0.0009279200000000, -0.0013607700000000, 0.0006475900000000 ] - [ 0.0025686200000000, 0.0043909000000000, 0.0036054300000000 ] - [ -0.0004481700000000, 0.0011942800000000, 0.0017691400000000 ] - [ 0.0032677200000000, -0.0028669500000000, 0.0010676200000000 ] - [ -0.0012477500000000, 0.0002920700000000, -0.0009638400000000 ] - [ -0.0019325500000000, -0.0007831000000000, 0.0001957900000000 ] - [ -0.0001782800000000, -0.0000422800000000, 0.0001956500000000 ] - [ -0.0019317200000000, -0.0007694200000000, -0.0001956200000000 ] - [ -0.0001765200000000, -0.0000380700000000, -0.0001953400000000 ] - [ -0.0006986000000000, 0.0000521700000000, -0.0003299900000000 ] - [ -0.0006284200000000, -0.0001939900000000, -0.0003303200000000 ] - [ -0.0006947300000000, 0.0000579400000000, 0.0003311900000000 ] - [ -0.0006279300000000, -0.0001879300000000, 0.0003307600000000 ] - [ 0.0098586000000000, 0.0028015600000000, -0.0059488500000000 ] - [ 0.0007992700000000, 0.0014566500000000, -0.0022566700000000 ] - [ -0.0634468100000000, -0.0000003000000000, 0.0000034200000000 ] - [ -0.0002944800000000, -0.0000000600000000, 0.0000000000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005703500000000, -0.0006180500000000, -0.0016144600000000 ] - [ 0.0006586100000000, 0.0000336300000000, 0.0010380600000000 ] - [ -0.0002500700000000, 0.0008029600000000, -0.0016144600000000 ] - [ -0.0003001800000000, -0.0005871900000000, 0.0010380600000000 ] - [ 0.0008204200000000, -0.0001849200000000, -0.0016144600000000 ] - [ -0.0003584300000000, 0.0005535600000000, 0.0010380600000000 ] - [ -0.0015177400000000, -0.0004478500000000, -0.0011829100000000 ] - [ -0.0002858400000000, 0.0002031700000000, 0.0014583200000000 ] - [ 0.0003710200000000, 0.0015383300000000, -0.0011829100000000 ] - [ 0.0003188700000000, 0.0001459600000000, 0.0014583200000000 ] - [ 0.0011467200000000, -0.0010904800000000, -0.0011829100000000 ] - [ -0.0000330300000000, -0.0003491300000000, 0.0014583200000000 ] - [ 0.0014700800000000, 0.0009628000000000, -0.0010663900000000 ] - [ 0.0002299400000000, 0.0003601200000000, 0.0011415400000000 ] - [ 0.0000987700000000, -0.0017545300000000, -0.0010663900000000 ] - [ 0.0001969000000000, -0.0003791900000000, 0.0011415400000000 ] - [ -0.0015688500000000, 0.0007917200000000, -0.0010663900000000 ] - [ -0.0004268400000000, 0.0000190700000000, 0.0011415400000000 ] - [ 0.0010288700000000, 0.0003847900000000, -0.0012391600000000 ] - [ -0.0002033400000000, -0.0002093400000000, 0.0009528900000000 ] - [ -0.0001812000000000, -0.0010834200000000, -0.0012391600000000 ] - [ -0.0000796200000000, 0.0002807700000000, 0.0009528900000000 ] - [ -0.0008476700000000, 0.0006986400000000, -0.0012391600000000 ] - [ 0.0002829700000000, -0.0000714300000000, 0.0009528900000000 ] - [ -0.0016954200000000, -0.0044174400000000, 0.0007710600000000 ] - [ 0.0006401100000000, 0.0001504500000000, 0.0025955600000000 ] - [ -0.0029779000000000, 0.0036770000000000, 0.0007710600000000 ] - [ -0.0001897600000000, -0.0006295800000000, 0.0025955600000000 ] - [ 0.0046733200000000, 0.0007404400000000, 0.0007710600000000 ] - [ -0.0004503500000000, 0.0004791200000000, 0.0025955600000000 ] - [ -0.0022378100000000, -0.0031389400000000, 0.0006749200000000 ] - [ 0.0000897500000000, 0.0014036600000000, 0.0024990800000000 ] - [ -0.0015995000000000, 0.0035074700000000, 0.0006749200000000 ] - [ 0.0011707300000000, -0.0007795600000000, 0.0024990800000000 ] - [ 0.0038373100000000, -0.0003685300000000, 0.0006749200000000 ] - [ -0.0012604800000000, -0.0006241000000000, 0.0024990800000000 ] - [ -0.0002413200000000, -0.0020663000000000, -0.0045918100000000 ] - [ -0.0002924700000000, -0.0008368700000000, 0.0025410800000000 ] - [ -0.0016688100000000, 0.0012421300000000, -0.0045918100000000 ] - [ -0.0005785100000000, 0.0006717200000000, 0.0025410800000000 ] - [ 0.0019101200000000, 0.0008241600000000, -0.0045918100000000 ] - [ 0.0008709800000000, 0.0001651500000000, 0.0025410800000000 ] - [ -0.0001946100000000, -0.0005110500000000, -0.0053614900000000 ] - [ -0.0002257000000000, 0.0007657800000000, 0.0017476700000000 ] - [ -0.0003452800000000, 0.0004240700000000, -0.0053614900000000 ] - [ 0.0007760400000000, -0.0001874300000000, 0.0017476700000000 ] - [ 0.0005398900000000, 0.0000869900000000, -0.0053614900000000 ] - [ -0.0005503400000000, -0.0005783500000000, 0.0017476700000000 ] - [ 0.0005142200000000, -0.0025687000000000, 0.0054142900000000 ] - [ -0.0003148100000000, 0.0005087300000000, -0.0027524000000000 ] - [ 0.0019674500000000, 0.0017296800000000, 0.0054142900000000 ] - [ -0.0002831700000000, -0.0005269900000000, -0.0027524000000000 ] - [ -0.0021590300000000, 0.0007202800000000, 0.0046517800000000 ] - [ 0.0009174600000000, -0.0000946100000000, -0.0035656200000000 ] - [ 0.0004557300000000, -0.0022299100000000, 0.0046517800000000 ] - [ -0.0003768000000000, 0.0008418500000000, -0.0035656200000000 ] - [ 0.0017032900000000, 0.0015096300000000, 0.0046517800000000 ] - [ -0.0005406700000000, -0.0007472400000000, -0.0035656200000000 ] - [ -0.0024816700000000, 0.0008390300000000, 0.0054142900000000 ] - [ 0.0005979800000000, 0.0000182700000000, -0.0027524000000000 ] - [ 0.0021075200000000, 0.0018106200000000, 0.0064099500000000 ] - [ 0.0007354300000000, -0.0012441500000000, -0.0042950500000000 ] - [ 0.0036937300000000, -0.0026269900000000, 0.0091811900000000 ] - [ 0.0018602600000000, -0.0001033800000000, -0.0013979000000000 ] - [ -0.0041219100000000, -0.0018853600000000, 0.0091811900000000 ] - [ -0.0010196500000000, -0.0015593400000000, -0.0013979000000000 ] - [ 0.0004281800000000, 0.0045123600000000, 0.0091811900000000 ] - [ -0.0008406000000000, 0.0016627200000000, -0.0013979000000000 ] - [ 0.0005142800000000, -0.0027304700000000, 0.0064099500000000 ] - [ -0.0014451800000000, -0.0000148300000000, -0.0042950500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011188400000000 ] - [ -0.0026218000000000, 0.0009198600000000, 0.0064099500000000 ] - [ 0.0007097500000000, 0.0012589700000000, -0.0042950500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0432163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021537000000000 ]