# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cde10bfd-346c-400b-8e05-e24a6729f6dd/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 Hg3(ClO)2 / P2_1/c (14) / materials id 540645](https://mdr.nims.go.jp/datasets/5ac1c1d9-895c-4c30-9760-4a00a79a3a1c) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.739979140000001, 0.000000000000000, -0.061193950000000 ] # a - [ 0.000000000000000, 9.400936359999999, 0.000000000000000 ] # b - [ -3.755072270000000, 0.000000000000000, 11.042276790000001 ] # c points: - symbol: Hg # 1 coordinates: [ 0.577490030000000, 0.329008870000000, 0.493497010000000 ] mass: 200.590000 - symbol: Hg # 2 coordinates: [ 0.422509970000000, 0.829008870000000, 0.006502990000000 ] mass: 200.590000 - symbol: Hg # 3 coordinates: [ 0.422509970000000, 0.670991130000000, 0.506502990000000 ] mass: 200.590000 - symbol: Hg # 4 coordinates: [ 0.577490030000000, 0.170991130000000, 0.993497010000000 ] mass: 200.590000 - symbol: Hg # 5 coordinates: [ 0.572764820000000, 0.448928600000000, 0.777504470000000 ] mass: 200.590000 - symbol: Hg # 6 coordinates: [ 0.427235180000000, 0.948928600000000, 0.722495530000000 ] mass: 200.590000 - symbol: Hg # 7 coordinates: [ 0.427235180000000, 0.551071400000000, 0.222495530000000 ] mass: 200.590000 - symbol: Hg # 8 coordinates: [ 0.572764820000000, 0.051071400000000, 0.277504470000000 ] mass: 200.590000 - symbol: Hg # 9 coordinates: [ 0.692742990000000, 0.518887560000000, 0.075865670000000 ] mass: 200.590000 - symbol: Hg # 10 coordinates: [ 0.307257010000000, 0.018887560000000, 0.424134330000000 ] mass: 200.590000 - symbol: Hg # 11 coordinates: [ 0.307257010000000, 0.481112440000000, 0.924134330000000 ] mass: 200.590000 - symbol: Hg # 12 coordinates: [ 0.692742990000000, 0.981112440000000, 0.575865670000000 ] mass: 200.590000 - symbol: Hg # 13 coordinates: [ 0.781864500000000, 0.601756040000000, 0.617829810000000 ] mass: 200.590000 - symbol: Hg # 14 coordinates: [ 0.218135500000000, 0.101756040000000, 0.882170190000000 ] mass: 200.590000 - symbol: Hg # 15 coordinates: [ 0.218135500000000, 0.398243960000000, 0.382170190000000 ] mass: 200.590000 - symbol: Hg # 16 coordinates: [ 0.781864500000000, 0.898243960000000, 0.117829810000000 ] mass: 200.590000 - symbol: Hg # 17 coordinates: [ 0.890335670000000, 0.610266290000000, 0.371537700000000 ] mass: 200.590000 - symbol: Hg # 18 coordinates: [ 0.109664330000000, 0.110266290000000, 0.128462300000000 ] mass: 200.590000 - symbol: Hg # 19 coordinates: [ 0.109664330000000, 0.389733710000000, 0.628462300000000 ] mass: 200.590000 - symbol: Hg # 20 coordinates: [ 0.890335670000000, 0.889733710000000, 0.871537700000000 ] mass: 200.590000 - symbol: Hg # 21 coordinates: [ 0.953714180000000, 0.309685490000000, 0.868728180000000 ] mass: 200.590000 - symbol: Hg # 22 coordinates: [ 0.046285820000000, 0.809685490000000, 0.631271820000000 ] mass: 200.590000 - symbol: Hg # 23 coordinates: [ 0.046285820000000, 0.690314510000000, 0.131271820000000 ] mass: 200.590000 - symbol: Hg # 24 coordinates: [ 0.953714180000000, 0.190314510000000, 0.368728180000000 ] mass: 200.590000 - symbol: Cl # 25 coordinates: [ 0.861371080000000, 0.538766420000000, 0.874752670000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.138628920000000, 0.038766420000000, 0.625247330000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.138628920000000, 0.461233580000000, 0.125247330000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.861371080000000, 0.961233580000000, 0.374752670000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.851938960000000, 0.270933510000000, 0.623792340000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.148061040000000, 0.770933510000000, 0.876207660000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.148061040000000, 0.729066490000000, 0.376207660000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.851938960000000, 0.229066490000000, 0.123792340000000 ] mass: 35.453000 - symbol: Cl # 33 coordinates: [ 0.686627590000000, 0.376884330000000, 0.314334500000000 ] mass: 35.453000 - symbol: Cl # 34 coordinates: [ 0.313372410000000, 0.876884330000000, 0.185665500000000 ] mass: 35.453000 - symbol: Cl # 35 coordinates: [ 0.313372410000000, 0.623115670000000, 0.685665500000000 ] mass: 35.453000 - symbol: Cl # 36 coordinates: [ 0.686627590000000, 0.123115670000000, 0.814334500000000 ] mass: 35.453000 - symbol: Cl # 37 coordinates: [ 0.622446720000000, 0.738894850000000, 0.395306200000000 ] mass: 35.453000 - symbol: Cl # 38 coordinates: [ 0.377553280000000, 0.238894850000000, 0.104693800000000 ] mass: 35.453000 - symbol: Cl # 39 coordinates: [ 0.377553280000000, 0.261105150000000, 0.604693800000000 ] mass: 35.453000 - symbol: Cl # 40 coordinates: [ 0.622446720000000, 0.761105150000000, 0.895306200000000 ] mass: 35.453000 - symbol: O # 41 coordinates: [ 0.953971910000000, 0.612904960000000, 0.564157000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.046028090000000, 0.112904960000000, 0.935843000000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.046028090000000, 0.387095040000000, 0.435843000000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.953971910000000, 0.887095040000000, 0.064157000000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.836953050000000, 0.649481450000000, 0.186111970000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.163046950000000, 0.149481450000000, 0.313888030000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.163046950000000, 0.350518550000000, 0.813888030000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.836953050000000, 0.850518550000000, 0.686111970000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.598916630000000, 0.514977880000000, 0.617424760000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.401083370000000, 0.014977880000000, 0.882575240000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.401083370000000, 0.485022120000000, 0.382575240000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.598916630000000, 0.985022120000000, 0.117424760000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.555991680000000, 0.395249230000000, 0.943718560000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.444008320000000, 0.895249230000000, 0.556281440000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.444008320000000, 0.604750770000000, 0.056281440000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.555991680000000, 0.104750770000000, 0.443718560000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.093290811014025, 0.000000000000000, 0.031724774169927 ] # a* - [ 0.000000000000000, 0.106372382676144, 0.000000000000000 ] # b* - [ 0.000516997837785, 0.000000000000000, 0.090736845607030 ] # c*unit_cell: lattice: - [ 10.739979140000001, 0.000000000000000, -0.061193950000000 ] # a - [ 0.000000000000000, 9.400936359999999, 0.000000000000000 ] # b - [ -3.755072270000000, 0.000000000000000, 11.042276790000001 ] # c points: - symbol: Hg # 1 coordinates: [ 0.577490030000000, 0.329008870000000, 0.493497010000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.422509970000000, 0.829008870000000, 0.006502990000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 3 coordinates: [ 0.422509970000000, 0.670991130000000, 0.506502990000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.577490030000000, 0.170991130000000, 0.993497010000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 5 coordinates: [ 0.572764820000000, 0.448928600000000, 0.777504470000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.427235180000000, 0.948928600000000, 0.722495530000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 7 coordinates: [ 0.427235180000000, 0.551071400000000, 0.222495530000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.572764820000000, 0.051071400000000, 0.277504470000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 9 coordinates: [ 0.692742990000000, 0.518887560000000, 0.075865670000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 10 coordinates: [ 0.307257010000000, 0.018887560000000, 0.424134330000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 11 coordinates: [ 0.307257010000000, 0.481112440000000, 0.924134330000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 12 coordinates: [ 0.692742990000000, 0.981112440000000, 0.575865670000000 ] mass: 200.590000 reduced_to: 12 - symbol: Hg # 13 coordinates: [ 0.781864500000000, 0.601756040000000, 0.617829810000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 14 coordinates: [ 0.218135500000000, 0.101756040000000, 0.882170190000000 ] mass: 200.590000 reduced_to: 14 - symbol: Hg # 15 coordinates: [ 0.218135500000000, 0.398243960000000, 0.382170190000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 16 coordinates: [ 0.781864500000000, 0.898243960000000, 0.117829810000000 ] mass: 200.590000 reduced_to: 16 - symbol: Hg # 17 coordinates: [ 0.890335670000000, 0.610266290000000, 0.371537700000000 ] mass: 200.590000 reduced_to: 17 - symbol: Hg # 18 coordinates: [ 0.109664330000000, 0.110266290000000, 0.128462300000000 ] mass: 200.590000 reduced_to: 18 - symbol: Hg # 19 coordinates: [ 0.109664330000000, 0.389733710000000, 0.628462300000000 ] mass: 200.590000 reduced_to: 19 - symbol: Hg # 20 coordinates: [ 0.890335670000000, 0.889733710000000, 0.871537700000000 ] mass: 200.590000 reduced_to: 20 - symbol: Hg # 21 coordinates: [ 0.953714180000000, 0.309685490000000, 0.868728180000000 ] mass: 200.590000 reduced_to: 21 - symbol: Hg # 22 coordinates: [ 0.046285820000000, 0.809685490000000, 0.631271820000000 ] mass: 200.590000 reduced_to: 22 - symbol: Hg # 23 coordinates: [ 0.046285820000000, 0.690314510000000, 0.131271820000000 ] mass: 200.590000 reduced_to: 23 - symbol: Hg # 24 coordinates: [ 0.953714180000000, 0.190314510000000, 0.368728180000000 ] mass: 200.590000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.861371080000000, 0.538766420000000, 0.874752670000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.138628920000000, 0.038766420000000, 0.625247330000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.138628920000000, 0.461233580000000, 0.125247330000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.861371080000000, 0.961233580000000, 0.374752670000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.851938960000000, 0.270933510000000, 0.623792340000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.148061040000000, 0.770933510000000, 0.876207660000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.148061040000000, 0.729066490000000, 0.376207660000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.851938960000000, 0.229066490000000, 0.123792340000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.686627590000000, 0.376884330000000, 0.314334500000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.313372410000000, 0.876884330000000, 0.185665500000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.313372410000000, 0.623115670000000, 0.685665500000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.686627590000000, 0.123115670000000, 0.814334500000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 37 coordinates: [ 0.622446720000000, 0.738894850000000, 0.395306200000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.377553280000000, 0.238894850000000, 0.104693800000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.377553280000000, 0.261105150000000, 0.604693800000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.622446720000000, 0.761105150000000, 0.895306200000000 ] mass: 35.453000 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.953971910000000, 0.612904960000000, 0.564157000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.046028090000000, 0.112904960000000, 0.935843000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.046028090000000, 0.387095040000000, 0.435843000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.953971910000000, 0.887095040000000, 0.064157000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.836953050000000, 0.649481450000000, 0.186111970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.163046950000000, 0.149481450000000, 0.313888030000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.163046950000000, 0.350518550000000, 0.813888030000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.836953050000000, 0.850518550000000, 0.686111970000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.598916630000000, 0.514977880000000, 0.617424760000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.401083370000000, 0.014977880000000, 0.882575240000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.401083370000000, 0.485022120000000, 0.382575240000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.598916630000000, 0.985022120000000, 0.117424760000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.555991680000000, 0.395249230000000, 0.943718560000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.444008320000000, 0.895249230000000, 0.556281440000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.444008320000000, 0.604750770000000, 0.056281440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.555991680000000, 0.104750770000000, 0.443718560000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 10.739979140000001, 0.000000000000000, -0.061193950000000 ] # a - [ 0.000000000000000, 18.801872719999999, 0.000000000000000 ] # b - [ -3.755072270000000, 0.000000000000000, 11.042276790000001 ] # c points: - symbol: Hg # 1 coordinates: [ 0.577490030000000, 0.164504435000000, 0.493497010000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.577490030000000, 0.664504435000000, 0.493497010000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 3 coordinates: [ 0.422509970000000, 0.414504435000000, 0.006502990000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.422509970000000, 0.914504435000000, 0.006502990000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 5 coordinates: [ 0.422509970000000, 0.335495565000000, 0.506502990000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.422509970000000, 0.835495565000000, 0.506502990000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 7 coordinates: [ 0.577490030000000, 0.085495565000000, 0.993497010000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.577490030000000, 0.585495565000000, 0.993497010000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 9 coordinates: [ 0.572764820000000, 0.224464300000000, 0.777504470000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 10 coordinates: [ 0.572764820000000, 0.724464300000000, 0.777504470000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 11 coordinates: [ 0.427235180000000, 0.474464300000000, 0.722495530000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 12 coordinates: [ 0.427235180000000, 0.974464300000000, 0.722495530000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 13 coordinates: [ 0.427235180000000, 0.275535700000000, 0.222495530000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 14 coordinates: [ 0.427235180000000, 0.775535700000000, 0.222495530000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 15 coordinates: [ 0.572764820000000, 0.025535700000000, 0.277504470000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 16 coordinates: [ 0.572764820000000, 0.525535700000000, 0.277504470000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 17 coordinates: [ 0.692742990000000, 0.259443780000000, 0.075865670000000 ] mass: 200.590000 reduced_to: 17 - symbol: Hg # 18 coordinates: [ 0.692742990000000, 0.759443780000000, 0.075865670000000 ] mass: 200.590000 reduced_to: 17 - symbol: Hg # 19 coordinates: [ 0.307257010000000, 0.009443780000000, 0.424134330000000 ] mass: 200.590000 reduced_to: 19 - symbol: Hg # 20 coordinates: [ 0.307257010000000, 0.509443780000000, 0.424134330000000 ] mass: 200.590000 reduced_to: 19 - symbol: Hg # 21 coordinates: [ 0.307257010000000, 0.240556220000000, 0.924134330000000 ] mass: 200.590000 reduced_to: 21 - symbol: Hg # 22 coordinates: [ 0.307257010000000, 0.740556220000000, 0.924134330000000 ] mass: 200.590000 reduced_to: 21 - symbol: Hg # 23 coordinates: [ 0.692742990000000, 0.490556220000000, 0.575865670000000 ] mass: 200.590000 reduced_to: 23 - symbol: Hg # 24 coordinates: [ 0.692742990000000, 0.990556220000000, 0.575865670000000 ] mass: 200.590000 reduced_to: 23 - symbol: Hg # 25 coordinates: [ 0.781864500000000, 0.300878020000000, 0.617829810000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 26 coordinates: [ 0.781864500000000, 0.800878020000000, 0.617829810000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 27 coordinates: [ 0.218135500000000, 0.050878020000000, 0.882170190000000 ] mass: 200.590000 reduced_to: 27 - symbol: Hg # 28 coordinates: [ 0.218135500000000, 0.550878020000000, 0.882170190000000 ] mass: 200.590000 reduced_to: 27 - symbol: Hg # 29 coordinates: [ 0.218135500000000, 0.199121980000000, 0.382170190000000 ] mass: 200.590000 reduced_to: 29 - symbol: Hg # 30 coordinates: [ 0.218135500000000, 0.699121980000000, 0.382170190000000 ] mass: 200.590000 reduced_to: 29 - symbol: Hg # 31 coordinates: [ 0.781864500000000, 0.449121980000000, 0.117829810000000 ] mass: 200.590000 reduced_to: 31 - symbol: Hg # 32 coordinates: [ 0.781864500000000, 0.949121980000000, 0.117829810000000 ] mass: 200.590000 reduced_to: 31 - symbol: Hg # 33 coordinates: [ 0.890335670000000, 0.305133145000000, 0.371537700000000 ] mass: 200.590000 reduced_to: 33 - symbol: Hg # 34 coordinates: [ 0.890335670000000, 0.805133145000000, 0.371537700000000 ] mass: 200.590000 reduced_to: 33 - symbol: Hg # 35 coordinates: [ 0.109664330000000, 0.055133145000000, 0.128462300000000 ] mass: 200.590000 reduced_to: 35 - symbol: Hg # 36 coordinates: [ 0.109664330000000, 0.555133145000000, 0.128462300000000 ] mass: 200.590000 reduced_to: 35 - symbol: Hg # 37 coordinates: [ 0.109664330000000, 0.194866855000000, 0.628462300000000 ] mass: 200.590000 reduced_to: 37 - symbol: Hg # 38 coordinates: [ 0.109664330000000, 0.694866855000000, 0.628462300000000 ] mass: 200.590000 reduced_to: 37 - symbol: Hg # 39 coordinates: [ 0.890335670000000, 0.444866855000000, 0.871537700000000 ] mass: 200.590000 reduced_to: 39 - symbol: Hg # 40 coordinates: [ 0.890335670000000, 0.944866855000000, 0.871537700000000 ] mass: 200.590000 reduced_to: 39 - symbol: Hg # 41 coordinates: [ 0.953714180000000, 0.154842745000000, 0.868728180000000 ] mass: 200.590000 reduced_to: 41 - symbol: Hg # 42 coordinates: [ 0.953714180000000, 0.654842745000000, 0.868728180000000 ] mass: 200.590000 reduced_to: 41 - symbol: Hg # 43 coordinates: [ 0.046285820000000, 0.404842745000000, 0.631271820000000 ] mass: 200.590000 reduced_to: 43 - symbol: Hg # 44 coordinates: [ 0.046285820000000, 0.904842745000000, 0.631271820000000 ] mass: 200.590000 reduced_to: 43 - symbol: Hg # 45 coordinates: [ 0.046285820000000, 0.345157255000000, 0.131271820000000 ] mass: 200.590000 reduced_to: 45 - symbol: Hg # 46 coordinates: [ 0.046285820000000, 0.845157255000000, 0.131271820000000 ] mass: 200.590000 reduced_to: 45 - symbol: Hg # 47 coordinates: [ 0.953714180000000, 0.095157255000000, 0.368728180000000 ] mass: 200.590000 reduced_to: 47 - symbol: Hg # 48 coordinates: [ 0.953714180000000, 0.595157255000000, 0.368728180000000 ] mass: 200.590000 reduced_to: 47 - symbol: Cl # 49 coordinates: [ 0.861371080000000, 0.269383210000000, 0.874752670000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.861371080000000, 0.769383210000000, 0.874752670000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.138628920000000, 0.019383210000000, 0.625247330000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 52 coordinates: [ 0.138628920000000, 0.519383210000000, 0.625247330000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 53 coordinates: [ 0.138628920000000, 0.230616790000000, 0.125247330000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.138628920000000, 0.730616790000000, 0.125247330000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.861371080000000, 0.480616790000000, 0.374752670000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 56 coordinates: [ 0.861371080000000, 0.980616790000000, 0.374752670000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 57 coordinates: [ 0.851938960000000, 0.135466755000000, 0.623792340000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.851938960000000, 0.635466755000000, 0.623792340000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.148061040000000, 0.385466755000000, 0.876207660000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 60 coordinates: [ 0.148061040000000, 0.885466755000000, 0.876207660000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 61 coordinates: [ 0.148061040000000, 0.364533245000000, 0.376207660000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.148061040000000, 0.864533245000000, 0.376207660000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.851938960000000, 0.114533245000000, 0.123792340000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 64 coordinates: [ 0.851938960000000, 0.614533245000000, 0.123792340000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 65 coordinates: [ 0.686627590000000, 0.188442165000000, 0.314334500000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.686627590000000, 0.688442165000000, 0.314334500000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.313372410000000, 0.438442165000000, 0.185665500000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 68 coordinates: [ 0.313372410000000, 0.938442165000000, 0.185665500000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 69 coordinates: [ 0.313372410000000, 0.311557835000000, 0.685665500000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 70 coordinates: [ 0.313372410000000, 0.811557835000000, 0.685665500000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 71 coordinates: [ 0.686627590000000, 0.061557835000000, 0.814334500000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 72 coordinates: [ 0.686627590000000, 0.561557835000000, 0.814334500000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 73 coordinates: [ 0.622446720000000, 0.369447425000000, 0.395306200000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.622446720000000, 0.869447425000000, 0.395306200000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.377553280000000, 0.119447425000000, 0.104693800000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 76 coordinates: [ 0.377553280000000, 0.619447425000000, 0.104693800000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 77 coordinates: [ 0.377553280000000, 0.130552575000000, 0.604693800000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 78 coordinates: [ 0.377553280000000, 0.630552575000000, 0.604693800000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 79 coordinates: [ 0.622446720000000, 0.380552575000000, 0.895306200000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 80 coordinates: [ 0.622446720000000, 0.880552575000000, 0.895306200000000 ] mass: 35.453000 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.953971910000000, 0.306452480000000, 0.564157000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.953971910000000, 0.806452480000000, 0.564157000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.046028090000000, 0.056452480000000, 0.935843000000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.046028090000000, 0.556452480000000, 0.935843000000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.046028090000000, 0.193547520000000, 0.435843000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.046028090000000, 0.693547520000000, 0.435843000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.953971910000000, 0.443547520000000, 0.064157000000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.953971910000000, 0.943547520000000, 0.064157000000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.836953050000000, 0.324740725000000, 0.186111970000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.836953050000000, 0.824740725000000, 0.186111970000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.163046950000000, 0.074740725000000, 0.313888030000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.163046950000000, 0.574740725000000, 0.313888030000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.163046950000000, 0.175259275000000, 0.813888030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.163046950000000, 0.675259275000000, 0.813888030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.836953050000000, 0.425259275000000, 0.686111970000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.836953050000000, 0.925259275000000, 0.686111970000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.598916630000000, 0.257488940000000, 0.617424760000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.598916630000000, 0.757488940000000, 0.617424760000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.401083370000000, 0.007488940000000, 0.882575240000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.401083370000000, 0.507488940000000, 0.882575240000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.401083370000000, 0.242511060000000, 0.382575240000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.401083370000000, 0.742511060000000, 0.382575240000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.598916630000000, 0.492511060000000, 0.117424760000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.598916630000000, 0.992511060000000, 0.117424760000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.555991680000000, 0.197624615000000, 0.943718560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.555991680000000, 0.697624615000000, 0.943718560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.444008320000000, 0.447624615000000, 0.556281440000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.444008320000000, 0.947624615000000, 0.556281440000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.444008320000000, 0.302375385000000, 0.056281440000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.444008320000000, 0.802375385000000, 0.056281440000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.555991680000000, 0.052375385000000, 0.443718560000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.555991680000000, 0.552375385000000, 0.443718560000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ -0.0339817200000000, 0.0212482000000000, 0.0036282200000000 ] - [ -0.0000703700000000, 0.0004406100000000, 0.0000204300000000 ] - [ -0.0001081200000000, 0.0003533700000000, 0.0000952700000000 ] - [ -0.0001105700000000, 0.0004394400000000, -0.0002237800000000 ] - [ 0.0011042700000000, -0.0064757700000000, -0.0034478500000000 ] - [ 0.0000092000000000, -0.0000660300000000, -0.0000048700000000 ] - [ -0.0005283500000000, -0.0005731400000000, -0.0006132600000000 ] - [ -0.0000640100000000, -0.0004383500000000, -0.0000033500000000 ] - [ -0.0010855100000000, -0.0028469900000000, -0.0046565700000000 ] - [ -0.0002199200000000, -0.0003695300000000, 0.0000174200000000 ] - [ 0.0001586600000000, -0.0004653800000000, -0.0002948500000000 ] - [ 0.0001055000000000, 0.0011082700000000, -0.0010072000000000 ] - [ -0.0053421700000000, 0.0000487500000000, 0.0036407400000000 ] - [ 0.0001623800000000, 0.0003593500000000, -0.0000253900000000 ] - [ -0.0012394000000000, -0.0030251600000000, -0.0007780500000000 ] - [ -0.0002967600000000, 0.0003427700000000, 0.0000785800000000 ] - [ 0.0002720600000000, 0.0011223600000000, -0.0028810300000000 ] - [ -0.0001700000000000, -0.0001758400000000, -0.0003598100000000 ] - [ 0.0005364200000000, 0.0025329900000000, 0.0018465300000000 ] - [ 0.0001125300000000, -0.0004398800000000, 0.0003347200000000 ] - [ 0.0003736200000000, 0.0005515500000000, 0.0005155700000000 ] - [ 0.0001415200000000, 0.0001452700000000, 0.0003057900000000 ] - [ -0.0002348700000000, 0.0001811900000000, -0.0003926300000000 ] - [ -0.0014716600000000, -0.0039423300000000, -0.0006307300000000 ] - [ -0.0003634100000000, 0.0050880500000000, 0.0014505200000000 ] - [ -0.0003322900000000, 0.0000750700000000, 0.0000740900000000 ] - [ 0.0011264000000000, 0.0001975800000000, -0.0003043900000000 ] - [ 0.0003199000000000, 0.0003274500000000, -0.0001601100000000 ] - [ 0.0092260400000000, -0.0004783900000000, 0.0030368800000000 ] - [ 0.0003221800000000, -0.0003455900000000, -0.0001858300000000 ] - [ -0.0002979500000000, 0.0002164600000000, 0.0000019400000000 ] - [ -0.0002491800000000, -0.0006252000000000, -0.0000156800000000 ] - [ 0.0023118300000000, 0.0022402800000000, 0.0003370500000000 ] - [ 0.0002075700000000, 0.0001645300000000, 0.0000021000000000 ] - [ -0.0000093200000000, 0.0004471800000000, 0.0013158300000000 ] - [ -0.0000383800000000, 0.0002112400000000, 0.0001262000000000 ] - [ 0.0042232600000000, -0.0000445300000000, -0.0001552700000000 ] - [ -0.0001082100000000, -0.0002467800000000, 0.0000242500000000 ] - [ 0.0002006000000000, -0.0001296300000000, -0.0000678500000000 ] - [ 0.0000071700000000, -0.0004833700000000, 0.0002168600000000 ] - [ 0.0004989200000000, 0.0010377500000000, 0.0049117100000000 ] - [ 0.0001644900000000, 0.0002643500000000, 0.0001125900000000 ] - [ 0.0002403600000000, 0.0008315700000000, 0.0002703600000000 ] - [ 0.0001395100000000, 0.0003423800000000, -0.0002362500000000 ] - [ 0.0007375100000000, -0.0005702400000000, 0.0002287300000000 ] - [ -0.0000618300000000, -0.0003796200000000, 0.0000335200000000 ] - [ 0.0029517100000000, -0.0009584500000000, 0.0002581100000000 ] - [ 0.0002236100000000, -0.0002800300000000, 0.0001204700000000 ] - [ 0.0004542700000000, -0.0007279000000000, -0.0000390900000000 ] - [ -0.0000796100000000, 0.0002433300000000, 0.0000296600000000 ] - [ -0.0004638000000000, -0.0000293500000000, 0.0000927300000000 ] - [ 0.0000282300000000, 0.0001927900000000, -0.0000757200000000 ] - [ -0.0005971300000000, -0.0000924000000000, -0.0011164700000000 ] - [ 0.0000680800000000, -0.0001923100000000, -0.0000690400000000 ] - [ -0.0001226100000000, -0.0002432300000000, 0.0000169100000000 ] - [ -0.0000707400000000, 0.0002624400000000, 0.0000940800000000 ] - [ 0.0041982100000000, -0.0025930700000000, 0.0002300300000000 ] - [ -0.0000032600000000, 0.0001666100000000, -0.0001469400000000 ] - [ -0.0001131300000000, 0.0001376300000000, 0.0000106500000000 ] - [ -0.0001236200000000, 0.0002117300000000, 0.0001946500000000 ] - [ -0.0013131000000000, 0.0003251600000000, -0.0002491700000000 ] - [ -0.0001656100000000, -0.0003174800000000, 0.0000337900000000 ] - [ -0.0007679500000000, 0.0003279500000000, 0.0001364800000000 ] - [ -0.0000250900000000, -0.0001679700000000, -0.0001661800000000 ] - [ 0.0054255200000000, -0.0007192500000000, -0.0041936800000000 ] - [ 0.0005406000000000, -0.0000675800000000, -0.0003503600000000 ] - [ -0.0005288200000000, 0.0003082300000000, 0.0001915600000000 ] - [ -0.0003570200000000, -0.0000735000000000, 0.0002217300000000 ] - [ -0.0008528400000000, 0.0004066900000000, 0.0007753800000000 ] - [ -0.0005880200000000, -0.0000203000000000, 0.0004072100000000 ] - [ 0.0015120000000000, 0.0000887600000000, -0.0002683500000000 ] - [ 0.0005428800000000, 0.0000584200000000, -0.0003151200000000 ] - [ 0.0013027800000000, 0.0000324400000000, -0.0000730100000000 ] - [ 0.0002583200000000, -0.0001514000000000, -0.0000715500000000 ] - [ 0.0003231300000000, -0.0001073000000000, -0.0001821600000000 ] - [ -0.0000435000000000, 0.0000344300000000, 0.0000276800000000 ] - [ 0.0041218800000000, 0.0008552300000000, -0.0021326100000000 ] - [ -0.0000762400000000, 0.0000290900000000, 0.0000612300000000 ] - [ 0.0003163900000000, -0.0001737300000000, 0.0001841800000000 ] - [ 0.0001785400000000, 0.0000244900000000, 0.0000842700000000 ] - [ -0.0003094900000000, -0.0009710700000000, 0.0001515100000000 ] - [ 0.0007616400000000, -0.0001087600000000, 0.0003195100000000 ] - [ -0.0013422800000000, 0.0005045100000000, -0.0014766800000000 ] - [ -0.0008907800000000, -0.0001802400000000, -0.0002712200000000 ] - [ -0.0035368100000000, -0.0002640500000000, -0.0001785700000000 ] - [ -0.0009183100000000, 0.0001829300000000, -0.0002148600000000 ] - [ 0.0005862000000000, 0.0000490000000000, 0.0002711900000000 ] - [ 0.0007785800000000, 0.0003023800000000, 0.0001389200000000 ] - [ -0.0011487600000000, -0.0017290700000000, 0.0000354400000000 ] - [ 0.0000618800000000, -0.0002212500000000, -0.0002565500000000 ] - [ -0.0009742500000000, -0.0009742000000000, -0.0011044700000000 ] - [ -0.0001248700000000, -0.0002346800000000, 0.0002071500000000 ] - [ -0.0015389100000000, -0.0001548300000000, -0.0002924500000000 ] - [ -0.0000817500000000, 0.0003261300000000, 0.0002402400000000 ] - [ 0.0002380800000000, 0.0002855300000000, -0.0001270700000000 ] - [ -0.0002604200000000, 0.0011597600000000, -0.0003804500000000 ] - [ 0.0038679800000000, -0.0042686800000000, -0.0022885800000000 ] - [ -0.0004871500000000, 0.0002655100000000, 0.0004641700000000 ] - [ 0.0003965500000000, 0.0001427400000000, 0.0001904300000000 ] - [ 0.0006001800000000, 0.0002785500000000, -0.0003562100000000 ] - [ 0.0086297800000000, -0.0049369300000000, 0.0034889000000000 ] - [ 0.0006136300000000, -0.0002949800000000, -0.0004036100000000 ] - [ -0.0004335000000000, -0.0003761200000000, 0.0004355900000000 ] - [ -0.0004504100000000, 0.0001995300000000, 0.0006401400000000 ] - [ 0.0000307500000000, 0.0009820200000000, 0.0022427400000000 ] - [ -0.0001010200000000, 0.0007759000000000, 0.0004028100000000 ] - [ 0.0001792100000000, 0.0005711700000000, -0.0000580800000000 ] - [ 0.0006523600000000, -0.0000074200000000, -0.0004985500000000 ] - [ 0.0007602300000000, -0.0009738600000000, -0.0004776100000000 ] - [ 0.0001472100000000, -0.0007251700000000, -0.0003740000000000 ] - [ 0.0018815000000000, -0.0038294400000000, -0.0007532600000000 ] - [ -0.0000590500000000, -0.0007613500000000, 0.0003809700000000 ]- atom: 1 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ 0.0341474700000000, -0.0207686500000000, -0.0035418900000000 ] - [ -0.0000084800000000, 0.0004626900000000, 0.0000326900000000 ] - [ 0.0001897000000000, 0.0005536100000000, -0.0001491700000000 ] - [ 0.0001909000000000, 0.0004618600000000, 0.0001765800000000 ] - [ -0.0009910600000000, 0.0055973500000000, 0.0034385700000000 ] - [ 0.0000733600000000, -0.0008355800000000, -0.0000493000000000 ] - [ 0.0004484400000000, -0.0003320400000000, 0.0006720400000000 ] - [ -0.0000144100000000, -0.0004637400000000, 0.0000559700000000 ] - [ 0.0007809600000000, 0.0021801000000000, 0.0047510500000000 ] - [ -0.0001605700000000, -0.0003637600000000, 0.0001069400000000 ] - [ 0.0002252500000000, -0.0002667500000000, 0.0001670800000000 ] - [ 0.0002792900000000, -0.0018621900000000, 0.0008832000000000 ] - [ 0.0057364200000000, 0.0006873600000000, -0.0037691000000000 ] - [ 0.0002207900000000, 0.0003760200000000, -0.0000967800000000 ] - [ 0.0008114900000000, 0.0037626000000000, 0.0009800400000000 ] - [ -0.0000842200000000, 0.0003903300000000, 0.0000480800000000 ] - [ -0.0005221600000000, -0.0014104800000000, 0.0022124800000000 ] - [ -0.0000817100000000, -0.0001172100000000, -0.0002938100000000 ] - [ -0.0002533400000000, -0.0028522200000000, -0.0012093000000000 ] - [ 0.0001410200000000, 0.0001490700000000, 0.0003231500000000 ] - [ -0.0001146100000000, -0.0002527300000000, 0.0001427800000000 ] - [ 0.0001102900000000, 0.0001472000000000, 0.0003482300000000 ] - [ -0.0000157300000000, 0.0001107100000000, -0.0002597200000000 ] - [ 0.0011661700000000, 0.0042561400000000, -0.0000917500000000 ] - [ -0.0003150600000000, -0.0044249700000000, -0.0010837600000000 ] - [ -0.0002628000000000, 0.0005988000000000, 0.0002949500000000 ] - [ -0.0005291100000000, 0.0004663600000000, -0.0000594900000000 ] - [ 0.0002733400000000, 0.0003440400000000, -0.0002106700000000 ] - [ -0.0087310600000000, -0.0001621600000000, -0.0034805000000000 ] - [ 0.0002719700000000, -0.0003239400000000, -0.0001843000000000 ] - [ -0.0002967800000000, -0.0008831400000000, 0.0003665100000000 ] - [ -0.0003487900000000, -0.0000455800000000, 0.0003846700000000 ] - [ -0.0019944800000000, -0.0017138400000000, -0.0003963100000000 ] - [ 0.0001055000000000, 0.0003453000000000, -0.0000633600000000 ] - [ -0.0003033500000000, 0.0000571400000000, -0.0012561800000000 ] - [ -0.0002772000000000, 0.0003008400000000, -0.0000647500000000 ] - [ -0.0045326400000000, -0.0004465100000000, 0.0002240700000000 ] - [ -0.0002072800000000, -0.0002634500000000, 0.0000372600000000 ] - [ 0.0001142300000000, -0.0003795000000000, 0.0000017900000000 ] - [ 0.0003072300000000, -0.0000336500000000, -0.0002832300000000 ] - [ -0.0002263100000000, -0.0004362400000000, -0.0046166500000000 ] - [ 0.0001122800000000, 0.0003261700000000, 0.0001332200000000 ] - [ -0.0005181400000000, -0.0002361500000000, -0.0005139500000000 ] - [ -0.0004228300000000, 0.0002369700000000, -0.0000071500000000 ] - [ -0.0010154800000000, -0.0000140100000000, -0.0004778500000000 ] - [ -0.0002136500000000, -0.0002114100000000, -0.0002792000000000 ] - [ -0.0026680300000000, 0.0003510400000000, -0.0000224700000000 ] - [ 0.0000536000000000, -0.0003085200000000, 0.0001258400000000 ] - [ -0.0005946100000000, 0.0011122100000000, 0.0001165200000000 ] - [ -0.0000734700000000, 0.0001524800000000, 0.0000377000000000 ] - [ 0.0006170300000000, 0.0004381600000000, -0.0001617600000000 ] - [ 0.0001249600000000, 0.0002026400000000, 0.0000082200000000 ] - [ 0.0007516900000000, -0.0003069200000000, 0.0010533100000000 ] - [ 0.0000848700000000, -0.0002036000000000, 0.0000016800000000 ] - [ -0.0000304100000000, -0.0001541400000000, 0.0000500500000000 ] - [ -0.0000737100000000, -0.0006518100000000, -0.0000245400000000 ] - [ -0.0039860300000000, 0.0028423100000000, -0.0004002000000000 ] - [ -0.0000085900000000, 0.0001636200000000, -0.0001636000000000 ] - [ 0.0001271800000000, 0.0001897700000000, 0.0003008000000000 ] - [ 0.0001381200000000, 0.0001205600000000, 0.0001146300000000 ] - [ 0.0013267100000000, -0.0006594100000000, 0.0005604100000000 ] - [ 0.0001774300000000, -0.0000103100000000, 0.0002774600000000 ] - [ 0.0007584200000000, -0.0006549900000000, -0.0004421400000000 ] - [ 0.0000128400000000, -0.0001625700000000, -0.0001444700000000 ] - [ -0.0042397100000000, 0.0006409700000000, 0.0032682600000000 ] - [ 0.0004706900000000, -0.0000774300000000, -0.0003269800000000 ] - [ -0.0004818800000000, -0.0004553200000000, 0.0004847900000000 ] - [ -0.0006626600000000, -0.0000716900000000, 0.0004500800000000 ] - [ -0.0001713200000000, -0.0002704800000000, -0.0001006300000000 ] - [ -0.0004240300000000, 0.0001647600000000, 0.0002706700000000 ] - [ -0.0005005900000000, 0.0000596100000000, -0.0004083800000000 ] - [ 0.0004673900000000, 0.0000854500000000, -0.0003612200000000 ] - [ -0.0011469000000000, -0.0000079900000000, -0.0000361600000000 ] - [ -0.0001003900000000, 0.0001582800000000, -0.0000231600000000 ] - [ -0.0004845100000000, 0.0001372000000000, 0.0002694600000000 ] - [ -0.0001120500000000, -0.0000121200000000, 0.0000648200000000 ] - [ -0.0045337000000000, -0.0009552600000000, 0.0023761200000000 ] - [ -0.0000802200000000, -0.0000509300000000, 0.0000318900000000 ] - [ -0.0001616100000000, 0.0001550700000000, -0.0002682900000000 ] - [ -0.0000237300000000, -0.0000456400000000, -0.0001779500000000 ] - [ 0.0020324800000000, 0.0006220600000000, 0.0003079500000000 ] - [ 0.0009571800000000, -0.0002305400000000, 0.0001421500000000 ] - [ -0.0003759600000000, -0.0008377000000000, 0.0010022100000000 ] - [ -0.0008247400000000, -0.0001613900000000, -0.0001904300000000 ] - [ 0.0018201700000000, 0.0005994600000000, -0.0002724400000000 ] - [ -0.0007977900000000, 0.0001579000000000, -0.0002480200000000 ] - [ 0.0011301800000000, 0.0002890600000000, 0.0001926900000000 ] - [ 0.0009380300000000, 0.0000425400000000, 0.0003240400000000 ] - [ 0.0012641100000000, 0.0010556100000000, -0.0004881900000000 ] - [ 0.0000562200000000, -0.0004452000000000, -0.0001993900000000 ] - [ 0.0008509600000000, 0.0003207300000000, 0.0015708300000000 ] - [ 0.0000078900000000, -0.0004343100000000, 0.0002471100000000 ] - [ 0.0014157000000000, 0.0008160700000000, 0.0007301500000000 ] - [ -0.0000354500000000, 0.0003408000000000, 0.0002153600000000 ] - [ -0.0001183200000000, 0.0003869800000000, -0.0003246900000000 ] - [ 0.0003845500000000, -0.0004910500000000, -0.0000634400000000 ] - [ -0.0050667900000000, 0.0048975700000000, 0.0032361700000000 ] - [ -0.0006914700000000, 0.0002949200000000, 0.0003599800000000 ] - [ 0.0007787800000000, 0.0004237800000000, -0.0010202700000000 ] - [ 0.0005763300000000, 0.0002824400000000, -0.0004667200000000 ] - [ -0.0076652600000000, 0.0046523400000000, -0.0045440600000000 ] - [ 0.0005618700000000, -0.0002682300000000, -0.0004190800000000 ] - [ -0.0007439600000000, -0.0001861900000000, 0.0003875300000000 ] - [ -0.0007189700000000, -0.0007586600000000, 0.0001679900000000 ] - [ -0.0002673400000000, 0.0005365500000000, -0.0014730800000000 ] - [ -0.0001284200000000, 0.0007525100000000, 0.0003608200000000 ] - [ 0.0000449500000000, 0.0009700000000000, -0.0007052700000000 ] - [ -0.0004391600000000, 0.0015348100000000, -0.0002501000000000 ] - [ -0.0005304500000000, -0.0005557500000000, -0.0002896600000000 ] - [ 0.0000824900000000, -0.0008032400000000, -0.0003910500000000 ] - [ -0.0021454300000000, 0.0023373000000000, 0.0015756700000000 ] - [ -0.0001700100000000, -0.0007669300000000, 0.0003812600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0211021400000000, -0.1339293500000000, -0.0428158400000000 ] - [ -0.0000501500000000, 0.0017459600000000, 0.0000745000000000 ] - [ 0.0000496800000000, 0.0010072300000000, -0.0001948700000000 ] - [ 0.0001425300000000, 0.0010096800000000, 0.0005862200000000 ] - [ -0.0060508800000000, 0.0085711200000000, 0.0006801100000000 ] - [ 0.0004239600000000, 0.0011362800000000, -0.0000231700000000 ] - [ 0.0000813600000000, -0.0028576000000000, 0.0002344700000000 ] - [ -0.0000523500000000, 0.0005032400000000, 0.0000139100000000 ] - [ -0.0050341600000000, -0.0036101500000000, 0.0065268300000000 ] - [ -0.0000579600000000, 0.0002854300000000, -0.0001466700000000 ] - [ -0.0000015300000000, 0.0002019800000000, 0.0003892500000000 ] - [ 0.0007182300000000, -0.0006349800000000, -0.0012918400000000 ] - [ 0.0014726600000000, 0.0024016400000000, -0.0062423600000000 ] - [ 0.0004910300000000, 0.0012328800000000, 0.0002200000000000 ] - [ -0.0040765200000000, 0.0035471900000000, 0.0129376700000000 ] - [ -0.0002023400000000, 0.0013989100000000, -0.0001504500000000 ] - [ 0.0001334900000000, -0.0002667700000000, -0.0008163300000000 ] - [ -0.0000206500000000, 0.0005485400000000, -0.0001677100000000 ] - [ 0.0056838300000000, 0.0014034700000000, 0.0011020900000000 ] - [ -0.0001433800000000, 0.0007942300000000, -0.0000092100000000 ] - [ -0.0004583900000000, -0.0012062100000000, 0.0000238400000000 ] - [ 0.0003105200000000, 0.0008578500000000, 0.0004388900000000 ] - [ -0.0002683500000000, 0.0013912700000000, -0.0002806200000000 ] - [ -0.0048971500000000, 0.0114807400000000, -0.0095543700000000 ] - [ 0.0094229600000000, 0.0072547600000000, 0.0035368100000000 ] - [ -0.0003871700000000, 0.0017502400000000, -0.0000600500000000 ] - [ 0.0005980000000000, -0.0003432100000000, -0.0002489100000000 ] - [ 0.0001421400000000, 0.0010871400000000, -0.0001174400000000 ] - [ -0.0044471000000000, -0.0048327900000000, -0.0000115300000000 ] - [ 0.0005404900000000, 0.0005811100000000, -0.0002077200000000 ] - [ -0.0003130800000000, 0.0001827400000000, 0.0002562600000000 ] - [ -0.0009401300000000, -0.0000120400000000, 0.0003046000000000 ] - [ 0.0009354000000000, -0.0000060700000000, -0.0003898700000000 ] - [ -0.0000379300000000, 0.0009102500000000, 0.0001263800000000 ] - [ 0.0002555200000000, -0.0003948400000000, 0.0003875000000000 ] - [ -0.0002671500000000, 0.0008153100000000, -0.0000862300000000 ] - [ -0.0005945800000000, -0.0015945000000000, 0.0002543200000000 ] - [ -0.0001286100000000, 0.0004110100000000, 0.0000728900000000 ] - [ 0.0001787500000000, 0.0002951800000000, 0.0004041100000000 ] - [ 0.0000167200000000, -0.0007342600000000, -0.0011502900000000 ] - [ 0.0005481500000000, -0.0017138600000000, -0.0011376000000000 ] - [ 0.0000891200000000, 0.0011307100000000, 0.0001393400000000 ] - [ 0.0000077600000000, 0.0010306000000000, 0.0000441300000000 ] - [ -0.0007469100000000, 0.0006011800000000, -0.0000170300000000 ] - [ -0.0002416900000000, 0.0000134100000000, -0.0005440800000000 ] - [ 0.0000072300000000, 0.0002648100000000, 0.0001306600000000 ] - [ 0.0003230300000000, -0.0023976500000000, 0.0004531400000000 ] - [ 0.0001643700000000, 0.0006530700000000, 0.0001094700000000 ] - [ -0.0010909900000000, 0.0011751300000000, -0.0011223200000000 ] - [ 0.0000032000000000, -0.0002860100000000, 0.0000926700000000 ] - [ 0.0000248200000000, 0.0004666500000000, 0.0000536100000000 ] - [ 0.0000563300000000, -0.0002556200000000, -0.0000810700000000 ] - [ 0.0004996500000000, 0.0001937400000000, 0.0009931100000000 ] - [ 0.0001117300000000, -0.0006452700000000, -0.0001071500000000 ] - [ -0.0001854500000000, -0.0007585700000000, 0.0001109400000000 ] - [ 0.0013284100000000, 0.0001432600000000, -0.0001757900000000 ] - [ -0.0010823800000000, 0.0028956300000000, -0.0000232700000000 ] - [ -0.0000733200000000, -0.0003612600000000, -0.0002238900000000 ] - [ -0.0000617100000000, 0.0000461200000000, 0.0000626900000000 ] - [ 0.0002609700000000, 0.0000185100000000, 0.0001990900000000 ] - [ 0.0006316800000000, -0.0006867800000000, 0.0005076600000000 ] - [ -0.0002104100000000, -0.0005903600000000, -0.0000544100000000 ] - [ -0.0002956100000000, 0.0008875300000000, 0.0000513900000000 ] - [ 0.0000476200000000, -0.0006003500000000, -0.0000946200000000 ] - [ -0.0012970900000000, 0.0006177900000000, 0.0009271500000000 ] - [ 0.0004573300000000, -0.0008227000000000, -0.0002728400000000 ] - [ -0.0003355500000000, -0.0007172700000000, 0.0005519200000000 ] - [ -0.0013733600000000, -0.0006609500000000, -0.0005256400000000 ] - [ 0.0006925400000000, 0.0003909600000000, -0.0001307200000000 ] - [ -0.0008281700000000, -0.0005759900000000, 0.0005955600000000 ] - [ -0.0001111200000000, 0.0013953500000000, 0.0009563900000000 ] - [ 0.0006413500000000, -0.0005482200000000, -0.0005044500000000 ] - [ -0.0004341500000000, -0.0017122500000000, 0.0006714500000000 ] - [ 0.0002052500000000, -0.0023022800000000, -0.0002926700000000 ] - [ -0.0003792700000000, 0.0016265600000000, -0.0009098100000000 ] - [ -0.0000363900000000, -0.0005839400000000, 0.0000816300000000 ] - [ 0.0015889400000000, 0.0028568600000000, -0.0008148000000000 ] - [ -0.0001337900000000, -0.0007256300000000, 0.0000310500000000 ] - [ 0.0001563200000000, -0.0004872800000000, -0.0004627900000000 ] - [ 0.0000409700000000, -0.0004092400000000, 0.0000375800000000 ] - [ 0.0000199700000000, -0.0002399800000000, 0.0001448000000000 ] - [ 0.0012103700000000, -0.0007216700000000, 0.0000423800000000 ] - [ -0.0008755500000000, 0.0003659500000000, -0.0000668000000000 ] - [ -0.0008998300000000, -0.0007248000000000, -0.0000856700000000 ] - [ -0.0009150900000000, 0.0013904600000000, -0.0005382700000000 ] - [ -0.0008451000000000, -0.0004636400000000, -0.0003983300000000 ] - [ 0.0008483200000000, -0.0002816400000000, 0.0003963100000000 ] - [ 0.0008483600000000, 0.0003272500000000, 0.0003272800000000 ] - [ -0.0000913500000000, -0.0004316500000000, -0.0000487700000000 ] - [ -0.0000223700000000, -0.0008123400000000, -0.0003681500000000 ] - [ -0.0010726000000000, 0.0014328800000000, -0.0001807300000000 ] - [ 0.0001219600000000, -0.0010127700000000, 0.0002470300000000 ] - [ 0.0002425300000000, 0.0012545200000000, 0.0005502200000000 ] - [ -0.0002389700000000, -0.0002927500000000, 0.0003021700000000 ] - [ -0.0001102000000000, -0.0008946900000000, -0.0008521300000000 ] - [ 0.0007565300000000, -0.0007400000000000, 0.0013767300000000 ] - [ -0.0074416700000000, 0.0393717700000000, 0.0296441200000000 ] - [ -0.0008427700000000, -0.0006018000000000, 0.0006518300000000 ] - [ 0.0002988300000000, 0.0007451800000000, -0.0005373900000000 ] - [ 0.0007490800000000, -0.0002366900000000, -0.0004932200000000 ] - [ -0.0067805100000000, 0.0092489000000000, -0.0074929400000000 ] - [ 0.0002810600000000, -0.0010792500000000, -0.0002907000000000 ] - [ -0.0005614200000000, -0.0007914700000000, 0.0005180200000000 ] - [ -0.0000144500000000, -0.0000537400000000, -0.0012043000000000 ] - [ 0.0005009300000000, 0.0024244400000000, -0.0000080800000000 ] - [ -0.0001951400000000, 0.0000725700000000, 0.0003861200000000 ] - [ 0.0005933300000000, -0.0002107800000000, -0.0005356500000000 ] - [ -0.0015604400000000, -0.0008893700000000, 0.0008993300000000 ] - [ 0.0000465700000000, -0.0006095300000000, 0.0005792000000000 ] - [ 0.0000227900000000, -0.0014376000000000, -0.0006341100000000 ] - [ 0.0026554700000000, 0.0567311900000000, 0.0133399300000000 ] - [ 0.0000321200000000, -0.0017879600000000, 0.0004189100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0204338200000000, 0.1369530700000000, 0.0427943800000000 ] - [ -0.0000286300000000, -0.0008434300000000, -0.0000219500000000 ] - [ 0.0000292400000000, -0.0001080600000000, 0.0001413100000000 ] - [ -0.0000645000000000, -0.0001055600000000, -0.0006423200000000 ] - [ 0.0060148700000000, -0.0093452200000000, -0.0007425200000000 ] - [ -0.0003456400000000, -0.0020443400000000, -0.0000305200000000 ] - [ -0.0001621600000000, 0.0019601900000000, -0.0001814100000000 ] - [ -0.0000267500000000, -0.0014070900000000, 0.0000390500000000 ] - [ 0.0046258300000000, 0.0028655200000000, -0.0063698800000000 ] - [ -0.0003236800000000, -0.0010192600000000, 0.0002725200000000 ] - [ 0.0003826700000000, -0.0009360600000000, -0.0005132400000000 ] - [ -0.0003464900000000, -0.0000899500000000, 0.0011733200000000 ] - [ -0.0011130500000000, -0.0016574900000000, 0.0060758900000000 ] - [ -0.0001101000000000, -0.0005007400000000, -0.0003457000000000 ] - [ 0.0037099500000000, -0.0028973000000000, -0.0129102700000000 ] - [ -0.0001786800000000, -0.0006630300000000, 0.0002724300000000 ] - [ -0.0003874700000000, -0.0000298500000000, 0.0001710900000000 ] - [ -0.0002307300000000, -0.0008420400000000, -0.0004864900000000 ] - [ -0.0054749500000000, -0.0017103100000000, -0.0004566800000000 ] - [ 0.0003932600000000, -0.0010880100000000, 0.0006618400000000 ] - [ 0.0007058800000000, 0.0014930200000000, 0.0006270000000000 ] - [ -0.0000595600000000, -0.0005657600000000, 0.0002145100000000 ] - [ 0.0000168500000000, -0.0010948600000000, -0.0003704700000000 ] - [ 0.0046974800000000, -0.0113789400000000, 0.0089687500000000 ] - [ -0.0098908700000000, -0.0065004100000000, -0.0031029500000000 ] - [ -0.0002050600000000, -0.0010854900000000, 0.0004294400000000 ] - [ -0.0000072400000000, 0.0010197500000000, -0.0001266400000000 ] - [ 0.0004508900000000, -0.0004180000000000, -0.0002535300000000 ] - [ 0.0050380000000000, 0.0041602300000000, -0.0003531700000000 ] - [ 0.0000523300000000, -0.0012529100000000, -0.0001637500000000 ] - [ -0.0002785100000000, -0.0008581200000000, 0.0001151400000000 ] - [ 0.0003481400000000, -0.0006576300000000, 0.0000650700000000 ] - [ -0.0006195700000000, 0.0005028100000000, 0.0003202500000000 ] - [ 0.0003534700000000, -0.0004011300000000, -0.0001883500000000 ] - [ -0.0005718200000000, 0.0009065800000000, -0.0003310200000000 ] - [ -0.0000488100000000, -0.0003067500000000, 0.0001474800000000 ] - [ 0.0002776900000000, 0.0010713100000000, -0.0001941800000000 ] - [ -0.0001868500000000, -0.0009222100000000, -0.0000112900000000 ] - [ 0.0001366400000000, -0.0008055800000000, -0.0004612300000000 ] - [ 0.0003021000000000, 0.0002278600000000, 0.0010970100000000 ] - [ -0.0002630500000000, 0.0023003000000000, 0.0013623400000000 ] - [ 0.0001879600000000, -0.0005410100000000, 0.0001075900000000 ] - [ -0.0002837000000000, -0.0004407700000000, -0.0002892900000000 ] - [ 0.0004763700000000, -0.0000073200000000, -0.0002316700000000 ] - [ -0.0000363900000000, -0.0006077200000000, 0.0002995400000000 ] - [ -0.0002841400000000, -0.0008545200000000, -0.0003781400000000 ] - [ -0.0000471000000000, 0.0018230100000000, -0.0002029600000000 ] - [ 0.0001128000000000, -0.0012434300000000, 0.0001364000000000 ] - [ 0.0009317200000000, -0.0007740800000000, 0.0011822200000000 ] - [ -0.0001565800000000, 0.0006826200000000, -0.0000264900000000 ] - [ 0.0001275300000000, -0.0000798200000000, -0.0001207400000000 ] - [ 0.0000970200000000, 0.0006519500000000, 0.0000134000000000 ] - [ -0.0003484700000000, -0.0005905900000000, -0.0010662300000000 ] - [ 0.0000414800000000, 0.0002491200000000, 0.0000401500000000 ] - [ 0.0000311300000000, 0.0003618000000000, -0.0000430800000000 ] - [ -0.0014900000000000, -0.0005406500000000, 0.0002447400000000 ] - [ 0.0011324200000000, -0.0025432600000000, -0.0002360700000000 ] - [ 0.0000603200000000, 0.0006911300000000, -0.0000875700000000 ] - [ 0.0000736600000000, 0.0002851300000000, 0.0002469400000000 ] - [ -0.0002501500000000, 0.0003100800000000, 0.0001121200000000 ] - [ -0.0006216200000000, 0.0003626200000000, -0.0001960400000000 ] - [ 0.0002238500000000, 0.0002617300000000, 0.0003664900000000 ] - [ 0.0002829700000000, -0.0012208600000000, -0.0003649300000000 ] - [ -0.0000603900000000, 0.0002706900000000, -0.0002162700000000 ] - [ 0.0022810700000000, -0.0007751300000000, -0.0015811500000000 ] - [ 0.0005528300000000, 0.0006786700000000, -0.0004040200000000 ] - [ -0.0006740100000000, 0.0005756100000000, 0.0001262000000000 ] - [ 0.0003634200000000, 0.0005159900000000, 0.0012036500000000 ] - [ -0.0016984700000000, -0.0002436500000000, 0.0008076200000000 ] - [ -0.0001809300000000, 0.0007200000000000, 0.0000803500000000 ] - [ 0.0011236700000000, -0.0012570000000000, -0.0016404800000000 ] - [ 0.0003691600000000, 0.0006923000000000, -0.0001730400000000 ] - [ 0.0005893900000000, 0.0017236900000000, -0.0007543700000000 ] - [ -0.0000488700000000, 0.0023236100000000, 0.0002003300000000 ] - [ 0.0002259000000000, -0.0016091500000000, 0.0010112300000000 ] - [ -0.0001189600000000, 0.0006072900000000, 0.0000112400000000 ] - [ -0.0018163900000000, -0.0028621800000000, 0.0009484500000000 ] - [ -0.0000215300000000, 0.0007034400000000, 0.0000615100000000 ] - [ -0.0000009400000000, 0.0004668400000000, 0.0003689400000000 ] - [ 0.0001157900000000, 0.0003865500000000, -0.0001308000000000 ] - [ 0.0016896400000000, -0.0001005100000000, 0.0003197700000000 ] - [ 0.0005031500000000, 0.0003818100000000, 0.0004215100000000 ] - [ -0.0008403600000000, -0.0007140700000000, -0.0003874700000000 ] - [ -0.0008160000000000, 0.0003849700000000, -0.0003776600000000 ] - [ -0.0008063500000000, -0.0010526700000000, 0.0000695800000000 ] - [ -0.0008713700000000, 0.0008051800000000, -0.0000636400000000 ] - [ 0.0008684900000000, 0.0006247300000000, 0.0000631300000000 ] - [ 0.0008665300000000, 0.0000112600000000, 0.0001351000000000 ] - [ 0.0002130400000000, -0.0002268100000000, -0.0004093000000000 ] - [ 0.0001395500000000, 0.0001452600000000, -0.0000867700000000 ] - [ 0.0009600800000000, -0.0021066700000000, 0.0006367500000000 ] - [ -0.0002394100000000, 0.0003463400000000, 0.0002090200000000 ] - [ -0.0003564600000000, -0.0005843400000000, -0.0000798200000000 ] - [ 0.0001218000000000, 0.0009601900000000, 0.0001523900000000 ] - [ 0.0002250500000000, 0.0015625200000000, 0.0003934600000000 ] - [ -0.0006393100000000, 0.0014162500000000, -0.0018321900000000 ] - [ 0.0059946600000000, -0.0375620900000000, -0.0274270600000000 ] - [ -0.0003340000000000, 0.0011651200000000, 0.0001710500000000 ] - [ 0.0008796200000000, -0.0001879400000000, -0.0002814200000000 ] - [ 0.0004281800000000, 0.0007989700000000, -0.0003297700000000 ] - [ 0.0075708800000000, -0.0095683500000000, 0.0063375600000000 ] - [ 0.0008966500000000, 0.0005175200000000, -0.0005321400000000 ] - [ -0.0006178400000000, 0.0002311300000000, 0.0003069100000000 ] - [ -0.0011519900000000, -0.0005080500000000, 0.0020149600000000 ] - [ -0.0007331100000000, -0.0009043700000000, 0.0007772900000000 ] - [ -0.0000344300000000, 0.0014558500000000, 0.0003763300000000 ] - [ -0.0003594600000000, 0.0017441300000000, -0.0002241200000000 ] - [ 0.0018023500000000, 0.0024279200000000, -0.0016648900000000 ] - [ 0.0001887500000000, -0.0009166900000000, -0.0013455800000000 ] - [ 0.0002073700000000, -0.0000901400000000, -0.0001288800000000 ] - [ -0.0029344600000000, -0.0617917800000000, -0.0136750900000000 ] - [ -0.0002604000000000, 0.0002575100000000, 0.0003439700000000 ]- atom: 1 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0140208900000000, -0.0472661100000000, -0.0469915000000000 ] - [ -0.0000356600000000, 0.0005007000000000, -0.0000422400000000 ] - [ -0.0000995500000000, -0.0000947500000000, 0.0003243700000000 ] - [ 0.0002046900000000, 0.0006123000000000, 0.0004285500000000 ] - [ -0.0035918200000000, 0.0021563500000000, -0.0069953600000000 ] - [ 0.0000707200000000, -0.0005707300000000, -0.0001213100000000 ] - [ -0.0004817300000000, -0.0006128800000000, 0.0017108800000000 ] - [ -0.0000584600000000, -0.0004434300000000, 0.0001918300000000 ] - [ -0.0053405300000000, 0.0011909700000000, 0.0128634900000000 ] - [ -0.0001725600000000, -0.0003422300000000, 0.0000897900000000 ] - [ 0.0001264900000000, -0.0000628500000000, 0.0001526100000000 ] - [ -0.0000033300000000, -0.0016646100000000, 0.0003164900000000 ] - [ 0.0017446800000000, -0.0039283700000000, 0.0052168000000000 ] - [ 0.0002292200000000, 0.0004458800000000, -0.0000460800000000 ] - [ -0.0001041800000000, 0.0074815200000000, 0.0033126300000000 ] - [ -0.0001823000000000, 0.0002713500000000, -0.0000349400000000 ] - [ -0.0008720500000000, -0.0011470000000000, 0.0037174000000000 ] - [ -0.0000728600000000, -0.0001190000000000, -0.0002388800000000 ] - [ 0.0006612400000000, -0.0008304600000000, -0.0012266800000000 ] - [ -0.0000789100000000, -0.0002644600000000, -0.0001318800000000 ] - [ 0.0001691100000000, 0.0004873700000000, 0.0015577200000000 ] - [ 0.0001543500000000, 0.0001497100000000, 0.0004069500000000 ] - [ -0.0003521100000000, 0.0003711700000000, -0.0008323700000000 ] - [ -0.0001860700000000, -0.0004202500000000, -0.0026862600000000 ] - [ 0.0079130700000000, 0.0060011400000000, -0.0003771600000000 ] - [ -0.0003107400000000, 0.0003581300000000, 0.0000866600000000 ] - [ 0.0003015900000000, 0.0004523800000000, 0.0005731000000000 ] - [ 0.0002687600000000, 0.0003584100000000, -0.0001003900000000 ] - [ 0.0020931200000000, 0.0026836600000000, -0.0024637600000000 ] - [ 0.0003013500000000, -0.0003371300000000, -0.0002357800000000 ] - [ -0.0002157700000000, -0.0009839200000000, 0.0006898600000000 ] - [ -0.0005936300000000, 0.0000294900000000, 0.0005050500000000 ] - [ -0.0020369800000000, -0.0025041300000000, -0.0017840000000000 ] - [ 0.0001084300000000, 0.0003492500000000, -0.0001405700000000 ] - [ -0.0001373400000000, 0.0004359100000000, 0.0002351600000000 ] - [ -0.0001299400000000, 0.0000718600000000, 0.0000889700000000 ] - [ -0.0010169300000000, 0.0000629700000000, -0.0005717500000000 ] - [ -0.0001629700000000, -0.0002653400000000, -0.0000085800000000 ] - [ 0.0002044600000000, -0.0000771400000000, 0.0007135200000000 ] - [ 0.0004754600000000, -0.0006829600000000, 0.0001629900000000 ] - [ 0.0008166100000000, -0.0004637200000000, 0.0008999500000000 ] - [ 0.0001540600000000, 0.0003055300000000, 0.0001728300000000 ] - [ -0.0001719700000000, 0.0003947100000000, -0.0002753500000000 ] - [ -0.0002848800000000, -0.0000606900000000, -0.0001078200000000 ] - [ -0.0003600800000000, -0.0007085400000000, 0.0004734600000000 ] - [ -0.0001263900000000, -0.0002457000000000, -0.0001213500000000 ] - [ -0.0023381500000000, 0.0006900700000000, -0.0009674300000000 ] - [ 0.0000761200000000, -0.0003965800000000, 0.0001165500000000 ] - [ -0.0008475400000000, 0.0004491200000000, -0.0015881600000000 ] - [ -0.0000682900000000, 0.0001822000000000, 0.0000111000000000 ] - [ 0.0001859700000000, 0.0007171000000000, -0.0000454600000000 ] - [ 0.0000554000000000, 0.0000597400000000, -0.0000115100000000 ] - [ -0.0002373600000000, -0.0001760000000000, -0.0008654000000000 ] - [ 0.0000802200000000, -0.0002201800000000, -0.0000386300000000 ] - [ -0.0000849400000000, -0.0000652600000000, 0.0001151300000000 ] - [ 0.0000701400000000, -0.0007103100000000, 0.0001521400000000 ] - [ 0.0013462700000000, 0.0008095500000000, 0.0015097200000000 ] - [ -0.0000350000000000, 0.0001001600000000, -0.0001563900000000 ] - [ -0.0001358700000000, 0.0001506200000000, -0.0000746000000000 ] - [ 0.0000398500000000, 0.0002180900000000, 0.0000232800000000 ] - [ -0.0005921300000000, 0.0004810900000000, 0.0002307800000000 ] - [ 0.0000431100000000, -0.0001846900000000, 0.0002097400000000 ] - [ 0.0007325100000000, -0.0007981100000000, -0.0011398200000000 ] - [ -0.0000036500000000, -0.0001343000000000, -0.0001974000000000 ] - [ -0.0045150400000000, -0.0001702500000000, 0.0060324900000000 ] - [ 0.0004816500000000, -0.0001024000000000, -0.0003171100000000 ] - [ -0.0005489900000000, 0.0003176600000000, 0.0003434500000000 ] - [ -0.0006134300000000, -0.0002132700000000, 0.0002991500000000 ] - [ 0.0005607900000000, -0.0003998300000000, 0.0003680900000000 ] - [ -0.0005078700000000, 0.0001188300000000, 0.0003329900000000 ] - [ 0.0003490000000000, 0.0009659800000000, -0.0010201400000000 ] - [ 0.0005711800000000, -0.0000364000000000, -0.0004301600000000 ] - [ 0.0002480900000000, 0.0003357900000000, 0.0019155400000000 ] - [ -0.0000046800000000, -0.0002505100000000, -0.0000274700000000 ] - [ -0.0003143400000000, -0.0004332800000000, -0.0014015100000000 ] - [ -0.0000817400000000, 0.0000299600000000, 0.0000084000000000 ] - [ -0.0034129100000000, -0.0010689100000000, 0.0042623100000000 ] - [ -0.0000814300000000, -0.0001081000000000, 0.0000634300000000 ] - [ 0.0002260000000000, -0.0003708600000000, -0.0009611200000000 ] - [ 0.0001135400000000, 0.0000477300000000, -0.0002572200000000 ] - [ 0.0005723800000000, -0.0002391700000000, 0.0016228500000000 ] - [ 0.0008832700000000, -0.0001286600000000, 0.0003154600000000 ] - [ -0.0011061500000000, -0.0000106800000000, -0.0006371400000000 ] - [ -0.0008634500000000, -0.0001533400000000, -0.0003935900000000 ] - [ 0.0005092000000000, 0.0000939500000000, 0.0012731600000000 ] - [ -0.0008529000000000, 0.0001923200000000, -0.0001631700000000 ] - [ 0.0009873700000000, 0.0005005900000000, -0.0002693300000000 ] - [ 0.0009521900000000, 0.0001411000000000, -0.0000560500000000 ] - [ 0.0012532400000000, 0.0014147300000000, -0.0012559100000000 ] - [ 0.0000639000000000, -0.0004443900000000, -0.0002652500000000 ] - [ 0.0000586200000000, -0.0007212600000000, 0.0010212400000000 ] - [ -0.0000447200000000, -0.0002312900000000, 0.0003607200000000 ] - [ -0.0000508200000000, 0.0003966100000000, -0.0008166400000000 ] - [ -0.0000569400000000, 0.0003427400000000, 0.0001835100000000 ] - [ -0.0001694400000000, -0.0008263800000000, -0.0005145300000000 ] - [ 0.0000135700000000, 0.0006222500000000, 0.0000387200000000 ] - [ -0.0038943200000000, 0.0169486300000000, 0.0168995600000000 ] - [ -0.0006273800000000, 0.0002744600000000, 0.0004534700000000 ] - [ 0.0009714900000000, 0.0003462100000000, -0.0011302000000000 ] - [ 0.0006515500000000, 0.0002374200000000, -0.0005346600000000 ] - [ -0.0017511600000000, -0.0002114800000000, 0.0030738100000000 ] - [ 0.0005594500000000, -0.0003121100000000, -0.0003717000000000 ] - [ -0.0006006800000000, -0.0001347400000000, 0.0002683300000000 ] - [ -0.0004360100000000, -0.0010288000000000, -0.0003548500000000 ] - [ 0.0002933400000000, 0.0007463900000000, -0.0027938800000000 ] - [ -0.0001158600000000, 0.0007400300000000, 0.0003163800000000 ] - [ 0.0005294200000000, -0.0002784600000000, 0.0003093900000000 ] - [ -0.0005520500000000, 0.0011016100000000, 0.0001457200000000 ] - [ 0.0001852300000000, -0.0002793500000000, -0.0017651000000000 ] - [ 0.0000834100000000, -0.0008597000000000, -0.0004876400000000 ] - [ -0.0009039700000000, 0.0215694100000000, 0.0091388200000000 ] - [ -0.0001368000000000, -0.0007174500000000, 0.0005367200000000 ]- atom: 1 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0141785300000000, 0.0471278800000000, 0.0465425800000000 ] - [ -0.0000432900000000, 0.0004024500000000, 0.0000953100000000 ] - [ 0.0001785400000000, 0.0010019300000000, -0.0003782100000000 ] - [ -0.0001276800000000, 0.0002876600000000, -0.0004817200000000 ] - [ 0.0036817400000000, -0.0030747500000000, 0.0069331500000000 ] - [ 0.0000092200000000, -0.0003301100000000, 0.0000678900000000 ] - [ 0.0004014000000000, -0.0002974100000000, -0.0016567700000000 ] - [ -0.0000202000000000, -0.0004590700000000, -0.0001393600000000 ] - [ 0.0049390900000000, -0.0018248800000000, -0.0126023400000000 ] - [ -0.0002083500000000, -0.0003911500000000, 0.0000342900000000 ] - [ 0.0002551300000000, -0.0006690800000000, -0.0002798000000000 ] - [ 0.0003832400000000, 0.0009208500000000, -0.0004457100000000 ] - [ -0.0014168800000000, 0.0047118800000000, -0.0053760900000000 ] - [ 0.0001525200000000, 0.0002877300000000, -0.0000772100000000 ] - [ -0.0002832400000000, -0.0068104000000000, -0.0031809300000000 ] - [ -0.0001990700000000, 0.0004623500000000, 0.0001602900000000 ] - [ 0.0006272900000000, 0.0008658900000000, -0.0043812900000000 ] - [ -0.0001786600000000, -0.0001745300000000, -0.0004151000000000 ] - [ -0.0003897900000000, 0.0005379600000000, 0.0018755700000000 ] - [ 0.0003305100000000, -0.0000276100000000, 0.0007870300000000 ] - [ 0.0000778100000000, -0.0001938400000000, -0.0009078000000000 ] - [ 0.0000966600000000, 0.0001427600000000, 0.0002460400000000 ] - [ 0.0001014300000000, -0.0000780200000000, 0.0001801600000000 ] - [ -0.0000828200000000, 0.0007521400000000, 0.0019969400000000 ] - [ -0.0085190600000000, -0.0053355000000000, 0.0007375800000000 ] - [ -0.0002827500000000, 0.0003144400000000, 0.0002837000000000 ] - [ 0.0002871000000000, 0.0002157300000000, -0.0009482500000000 ] - [ 0.0003238900000000, 0.0003123600000000, -0.0002708700000000 ] - [ -0.0014810300000000, -0.0033400300000000, 0.0020829900000000 ] - [ 0.0002920700000000, -0.0003327700000000, -0.0001349600000000 ] - [ -0.0003771500000000, 0.0003166700000000, -0.0003200700000000 ] - [ 0.0000024200000000, -0.0007034000000000, -0.0001338300000000 ] - [ 0.0023660200000000, 0.0030287600000000, 0.0017303100000000 ] - [ 0.0002061200000000, 0.0001610200000000, 0.0000801600000000 ] - [ -0.0001776900000000, 0.0000722700000000, -0.0001735700000000 ] - [ -0.0001857300000000, 0.0004391200000000, -0.0000276400000000 ] - [ 0.0006879700000000, -0.0005737300000000, 0.0006337300000000 ] - [ -0.0001525900000000, -0.0002448600000000, 0.0000697200000000 ] - [ 0.0001113700000000, -0.0004321900000000, -0.0007770900000000 ] - [ -0.0001563200000000, 0.0001677400000000, -0.0002289700000000 ] - [ -0.0005356900000000, 0.0010532600000000, -0.0006660600000000 ] - [ 0.0001228900000000, 0.0002844300000000, 0.0000731200000000 ] - [ -0.0001065800000000, 0.0001960700000000, 0.0000290600000000 ] - [ 0.0000054700000000, 0.0006494300000000, -0.0001385600000000 ] - [ 0.0000854300000000, 0.0001187500000000, -0.0007209700000000 ] - [ -0.0001505300000000, -0.0003451700000000, -0.0001245100000000 ] - [ 0.0026279600000000, -0.0012881500000000, 0.0012211800000000 ] - [ 0.0002013400000000, -0.0001926000000000, 0.0001297500000000 ] - [ 0.0006920500000000, -0.0000545000000000, 0.0016579300000000 ] - [ -0.0000850100000000, 0.0002135000000000, 0.0000560400000000 ] - [ -0.0000303800000000, -0.0003199000000000, -0.0000219200000000 ] - [ 0.0000979300000000, 0.0003362900000000, -0.0000557900000000 ] - [ 0.0003874700000000, -0.0002200100000000, 0.0007930700000000 ] - [ 0.0000728600000000, -0.0001755800000000, -0.0000288600000000 ] - [ -0.0000686300000000, -0.0003314400000000, -0.0000485300000000 ] - [ -0.0002212600000000, 0.0003158900000000, -0.0000873700000000 ] - [ -0.0013380700000000, -0.0004779300000000, -0.0018265700000000 ] - [ 0.0000226300000000, 0.0002298300000000, -0.0001545900000000 ] - [ 0.0001498700000000, 0.0001784700000000, 0.0003861100000000 ] - [ -0.0000262600000000, 0.0001124900000000, 0.0002881800000000 ] - [ 0.0006034400000000, -0.0008102800000000, 0.0000798800000000 ] - [ -0.0000313400000000, -0.0001453700000000, 0.0000999900000000 ] - [ -0.0007509100000000, 0.0004717700000000, 0.0008297800000000 ] - [ -0.0000091000000000, -0.0001958900000000, -0.0001136500000000 ] - [ 0.0060190000000000, 0.0001745100000000, -0.0071490300000000 ] - [ 0.0005290100000000, -0.0000419500000000, -0.0003603200000000 ] - [ -0.0004606700000000, -0.0004624700000000, 0.0003325300000000 ] - [ -0.0003967100000000, 0.0000697500000000, 0.0003758600000000 ] - [ -0.0015747700000000, 0.0005397500000000, 0.0003109600000000 ] - [ -0.0005031000000000, 0.0000248100000000, 0.0003447200000000 ] - [ 0.0006551300000000, -0.0008171700000000, 0.0003481300000000 ] - [ 0.0004386300000000, 0.0001802600000000, -0.0002465500000000 ] - [ -0.0000875300000000, -0.0003182200000000, -0.0020128400000000 ] - [ 0.0001617000000000, 0.0002665400000000, -0.0000687100000000 ] - [ 0.0001639300000000, 0.0004597300000000, 0.0015026100000000 ] - [ -0.0000736100000000, -0.0000072400000000, 0.0000838600000000 ] - [ 0.0030567600000000, 0.0009764300000000, -0.0041118000000000 ] - [ -0.0000746100000000, 0.0000860500000000, 0.0000292300000000 ] - [ -0.0000717300000000, 0.0003479700000000, 0.0008736400000000 ] - [ 0.0000417700000000, -0.0000680400000000, 0.0001649400000000 ] - [ 0.0011487800000000, -0.0001045100000000, -0.0011681500000000 ] - [ 0.0008333600000000, -0.0002120900000000, 0.0001460300000000 ] - [ -0.0006073500000000, -0.0003319400000000, 0.0001793700000000 ] - [ -0.0008521300000000, -0.0001875200000000, -0.0000687800000000 ] - [ -0.0022288500000000, 0.0002425700000000, -0.0017387800000000 ] - [ -0.0008634900000000, 0.0001484600000000, -0.0002996900000000 ] - [ 0.0007276900000000, -0.0001609700000000, 0.0007316400000000 ] - [ 0.0007623300000000, 0.0002018300000000, 0.0005176600000000 ] - [ -0.0011391700000000, -0.0020864400000000, 0.0008029000000000 ] - [ 0.0000531600000000, -0.0002219700000000, -0.0001912600000000 ] - [ -0.0001801200000000, 0.0000542700000000, -0.0005665000000000 ] - [ -0.0000724700000000, -0.0004366900000000, 0.0000937000000000 ] - [ -0.0000607800000000, 0.0002716900000000, 0.0012772200000000 ] - [ -0.0000601000000000, 0.0003244700000000, 0.0002717500000000 ] - [ 0.0002862200000000, 0.0014988800000000, 0.0000614400000000 ] - [ 0.0001051200000000, 0.0000428500000000, -0.0004880100000000 ] - [ 0.0026546100000000, -0.0154499600000000, -0.0155134500000000 ] - [ -0.0005505600000000, 0.0002864900000000, 0.0003699900000000 ] - [ 0.0002066800000000, 0.0002188600000000, 0.0003077200000000 ] - [ 0.0005258200000000, 0.0003234700000000, -0.0002886300000000 ] - [ 0.0029229400000000, -0.0003636100000000, -0.0038742800000000 ] - [ 0.0006173500000000, -0.0002503300000000, -0.0004516600000000 ] - [ -0.0005769500000000, -0.0004276900000000, 0.0005547200000000 ] - [ -0.0007405500000000, 0.0004730900000000, 0.0011730100000000 ] - [ -0.0005234900000000, 0.0007713600000000, 0.0035459000000000 ] - [ -0.0001136300000000, 0.0007885700000000, 0.0004464200000000 ] - [ -0.0003013300000000, 0.0018105800000000, -0.0010713400000000 ] - [ 0.0007731400000000, 0.0004241200000000, -0.0008993900000000 ] - [ 0.0000503300000000, -0.0012563400000000, 0.0010055700000000 ] - [ 0.0001469700000000, -0.0006679600000000, -0.0002764000000000 ] - [ 0.0005593200000000, -0.0231625100000000, -0.0080877800000000 ] - [ -0.0000923900000000, -0.0008113500000000, 0.0002252300000000 ]- atom: 9 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ -0.0009834200000000, -0.0043910800000000, -0.0057838100000000 ] - [ -0.0000689100000000, 0.0005844400000000, 0.0000350500000000 ] - [ -0.0000413900000000, -0.0000889700000000, -0.0002580400000000 ] - [ 0.0000077800000000, 0.0006471500000000, -0.0001058600000000 ] - [ -0.0054898900000000, 0.0008640800000000, -0.0002793000000000 ] - [ 0.0000100900000000, -0.0001538000000000, 0.0000035700000000 ] - [ -0.0010630500000000, 0.0035577600000000, -0.0002435500000000 ] - [ -0.0001455600000000, -0.0004409300000000, 0.0000010500000000 ] - [ -0.0669839700000000, -0.0297864700000000, 0.0856326100000000 ] - [ -0.0002091300000000, -0.0003328200000000, 0.0000206400000000 ] - [ -0.0003563100000000, -0.0012663200000000, -0.0000664500000000 ] - [ -0.0003651300000000, 0.0002136000000000, -0.0005668500000000 ] - [ 0.0007048000000000, 0.0006764700000000, -0.0010472900000000 ] - [ 0.0001675200000000, 0.0004116000000000, -0.0000754300000000 ] - [ -0.0001968200000000, 0.0003483500000000, -0.0002730400000000 ] - [ -0.0002126600000000, 0.0005451300000000, -0.0000962200000000 ] - [ -0.0027475400000000, -0.0024432500000000, -0.0006168300000000 ] - [ -0.0001270900000000, -0.0001129200000000, -0.0003081600000000 ] - [ 0.0000626200000000, 0.0008585400000000, 0.0011609500000000 ] - [ 0.0000839400000000, -0.0002660700000000, 0.0003038200000000 ] - [ 0.0040771800000000, 0.0002115100000000, -0.0021253400000000 ] - [ 0.0001274500000000, 0.0001903400000000, 0.0003247000000000 ] - [ -0.0004721100000000, 0.0005875600000000, -0.0005051200000000 ] - [ -0.0003560900000000, -0.0004237400000000, -0.0007395100000000 ] - [ 0.0069762900000000, 0.0045995400000000, -0.0056231000000000 ] - [ -0.0002864400000000, 0.0002665600000000, 0.0001199500000000 ] - [ 0.0010501700000000, 0.0007191000000000, -0.0004788100000000 ] - [ 0.0004062000000000, 0.0003027300000000, -0.0002686400000000 ] - [ -0.0000922900000000, -0.0016910200000000, 0.0013949000000000 ] - [ 0.0002969800000000, -0.0002689700000000, -0.0001728800000000 ] - [ -0.0004917000000000, -0.0004154700000000, 0.0003139600000000 ] - [ -0.0004417300000000, -0.0002370900000000, 0.0002699400000000 ] - [ 0.0005106900000000, 0.0001106500000000, -0.0003381400000000 ] - [ 0.0001988400000000, 0.0002931900000000, -0.0000059500000000 ] - [ -0.0002412400000000, 0.0002584200000000, 0.0007547200000000 ] - [ -0.0001078900000000, 0.0002974400000000, 0.0000743500000000 ] - [ 0.0024634100000000, 0.0006267700000000, 0.0004221200000000 ] - [ -0.0001138500000000, -0.0002289900000000, 0.0000432300000000 ] - [ 0.0002863600000000, 0.0006178800000000, 0.0003962200000000 ] - [ 0.0005087700000000, -0.0007635900000000, 0.0001119900000000 ] - [ 0.0038578700000000, -0.0033166400000000, 0.0001882000000000 ] - [ 0.0001627400000000, 0.0003543400000000, 0.0001275000000000 ] - [ 0.0016011700000000, 0.0000218200000000, 0.0002203400000000 ] - [ 0.0000525300000000, 0.0004594300000000, -0.0002126100000000 ] - [ 0.0000998100000000, 0.0002997500000000, 0.0009670600000000 ] - [ -0.0000852500000000, -0.0002980600000000, -0.0000195200000000 ] - [ 0.0006878500000000, -0.0002174900000000, 0.0000672100000000 ] - [ 0.0001849900000000, -0.0002137700000000, 0.0001610900000000 ] - [ 0.0043006900000000, 0.0031704600000000, 0.0017995400000000 ] - [ -0.0000797600000000, 0.0001882400000000, 0.0000360100000000 ] - [ -0.0001258100000000, 0.0000149600000000, 0.0000421200000000 ] - [ 0.0000104000000000, 0.0004387300000000, -0.0000788500000000 ] - [ -0.0002079900000000, -0.0001694700000000, -0.0003561600000000 ] - [ 0.0000772000000000, -0.0002335500000000, -0.0000521300000000 ] - [ -0.0001333600000000, -0.0002831700000000, 0.0000397600000000 ] - [ -0.0001320200000000, -0.0001449100000000, 0.0000598100000000 ] - [ -0.0013372600000000, 0.0008542400000000, 0.0004551200000000 ] - [ -0.0000507200000000, 0.0000744400000000, -0.0001734000000000 ] - [ -0.0007402000000000, 0.0001888200000000, 0.0003349200000000 ] - [ -0.0001253900000000, 0.0001708300000000, 0.0001945600000000 ] - [ -0.0002405100000000, -0.0002710600000000, -0.0005782500000000 ] - [ -0.0000705700000000, -0.0002713800000000, 0.0000768500000000 ] - [ 0.0009127900000000, -0.0004542400000000, -0.0000048100000000 ] - [ -0.0000059000000000, -0.0002102200000000, -0.0001596700000000 ] - [ -0.0001542500000000, -0.0001551000000000, 0.0007665100000000 ] - [ 0.0004963700000000, -0.0001176600000000, -0.0003241300000000 ] - [ -0.0005612100000000, -0.0000429200000000, 0.0004633800000000 ] - [ -0.0004775400000000, -0.0001311500000000, 0.0002651300000000 ] - [ 0.0000310300000000, 0.0006276600000000, -0.0007129400000000 ] - [ -0.0005572300000000, -0.0000343500000000, 0.0003986400000000 ] - [ 0.0016833000000000, 0.0012308700000000, -0.0009064200000000 ] - [ 0.0006827700000000, -0.0000047300000000, -0.0003945400000000 ] - [ -0.0003829700000000, -0.0005265900000000, 0.0007267000000000 ] - [ 0.0001564500000000, 0.0000395000000000, -0.0000321900000000 ] - [ -0.0006078300000000, 0.0000800200000000, 0.0003464600000000 ] - [ -0.0000857500000000, -0.0000076400000000, 0.0000813000000000 ] - [ 0.0011105000000000, -0.0000826000000000, -0.0017906800000000 ] - [ -0.0000404600000000, -0.0000407900000000, 0.0000156200000000 ] - [ 0.0009761300000000, 0.0003531600000000, -0.0002652000000000 ] - [ 0.0002645200000000, 0.0001111300000000, -0.0000947100000000 ] - [ -0.0004925600000000, -0.0005442800000000, 0.0006239100000000 ] - [ 0.0007821900000000, -0.0001965800000000, 0.0002665900000000 ] - [ -0.0015056300000000, 0.0003221200000000, -0.0005084600000000 ] - [ -0.0009880700000000, -0.0002627400000000, -0.0002508000000000 ] - [ -0.0016941100000000, 0.0002120900000000, -0.0005318800000000 ] - [ -0.0008767500000000, 0.0001290800000000, -0.0002576500000000 ] - [ 0.0010010200000000, -0.0000912200000000, -0.0000217000000000 ] - [ 0.0008449200000000, 0.0002276700000000, 0.0000057200000000 ] - [ 0.0000368500000000, -0.0001213500000000, -0.0004871100000000 ] - [ 0.0000462000000000, -0.0003685000000000, -0.0002624700000000 ] - [ -0.0003024900000000, -0.0001255100000000, -0.0004708200000000 ] - [ -0.0000739200000000, -0.0003386600000000, 0.0002290000000000 ] - [ -0.0020145400000000, -0.0004092700000000, 0.0006066500000000 ] - [ -0.0000961200000000, 0.0003022200000000, 0.0002574200000000 ] - [ -0.0002184100000000, -0.0006802300000000, -0.0002599000000000 ] - [ -0.0001213200000000, 0.0005994000000000, -0.0000856500000000 ] - [ 0.0270840200000000, 0.0144798000000000, -0.0316023100000000 ] - [ -0.0005335400000000, 0.0002183400000000, 0.0004596500000000 ] - [ 0.0005519800000000, -0.0002721000000000, -0.0002389500000000 ] - [ 0.0006073800000000, 0.0003410100000000, -0.0001215500000000 ] - [ 0.0023985800000000, 0.0007139400000000, 0.0014881900000000 ] - [ 0.0006110700000000, -0.0003352500000000, -0.0003999200000000 ] - [ -0.0005840500000000, -0.0002415500000000, 0.0004836700000000 ] - [ -0.0004683100000000, -0.0004431400000000, 0.0001695800000000 ] - [ 0.0271733300000000, 0.0128018500000000, -0.0432275500000000 ] - [ -0.0000893100000000, 0.0007395400000000, 0.0003898100000000 ] - [ 0.0009354200000000, 0.0005533300000000, -0.0005517400000000 ] - [ 0.0004663800000000, 0.0001056100000000, -0.0000888000000000 ] - [ -0.0003508300000000, -0.0004020300000000, 0.0005471000000000 ] - [ 0.0001275200000000, -0.0008168000000000, -0.0003741700000000 ] - [ 0.0002462000000000, -0.0011305500000000, 0.0007053700000000 ] - [ 0.0000048700000000, -0.0008944600000000, 0.0004256700000000 ]- atom: 9 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ 0.0008959800000000, 0.0053419700000000, 0.0058658300000000 ] - [ -0.0000099800000000, 0.0003164900000000, 0.0000174700000000 ] - [ 0.0001245700000000, 0.0009907900000000, 0.0002109600000000 ] - [ 0.0000729400000000, 0.0002581200000000, 0.0000545900000000 ] - [ 0.0056341900000000, -0.0017923300000000, 0.0002282200000000 ] - [ 0.0000687700000000, -0.0007518900000000, -0.0000573700000000 ] - [ 0.0009811400000000, -0.0043757400000000, 0.0003012800000000 ] - [ 0.0000675200000000, -0.0004623600000000, 0.0000545800000000 ] - [ 0.0659861200000000, 0.0287247600000000, -0.0853738500000000 ] - [ -0.0001721200000000, -0.0004004000000000, 0.0001048900000000 ] - [ 0.0007463900000000, 0.0005430400000000, -0.0000579500000000 ] - [ 0.0007433200000000, -0.0009501100000000, 0.0004470100000000 ] - [ -0.0003215500000000, 0.0000536300000000, 0.0009308800000000 ] - [ 0.0002134100000000, 0.0003212800000000, -0.0000495300000000 ] - [ -0.0001823600000000, 0.0003886700000000, 0.0003939000000000 ] - [ -0.0001679100000000, 0.0001832000000000, 0.0002224400000000 ] - [ 0.0024456200000000, 0.0020935400000000, -0.0000839000000000 ] - [ -0.0001242000000000, -0.0001800400000000, -0.0003452600000000 ] - [ 0.0001886700000000, -0.0011549000000000, -0.0005137200000000 ] - [ 0.0001685500000000, -0.0000250000000000, 0.0003495700000000 ] - [ -0.0038428800000000, 0.0000782900000000, 0.0028257900000000 ] - [ 0.0001239000000000, 0.0001020800000000, 0.0003299000000000 ] - [ 0.0002193900000000, -0.0002976500000000, -0.0001527000000000 ] - [ 0.0001035500000000, 0.0007179400000000, 0.0000830300000000 ] - [ -0.0075793100000000, -0.0038916700000000, 0.0058553500000000 ] - [ -0.0003068800000000, 0.0004034700000000, 0.0002507900000000 ] - [ -0.0004512400000000, -0.0000555900000000, 0.0001135900000000 ] - [ 0.0001864500000000, 0.0003703200000000, -0.0001003100000000 ] - [ 0.0006950100000000, 0.0010291800000000, -0.0017735500000000 ] - [ 0.0002959000000000, -0.0004017500000000, -0.0001982900000000 ] - [ -0.0001061900000000, -0.0002628100000000, 0.0000595500000000 ] - [ -0.0001549800000000, -0.0004300000000000, 0.0001010400000000 ] - [ -0.0002037900000000, 0.0004009300000000, 0.0002662700000000 ] - [ 0.0001159200000000, 0.0002169700000000, -0.0000561900000000 ] - [ -0.0000750000000000, 0.0002502400000000, -0.0006892400000000 ] - [ -0.0002082500000000, 0.0002133600000000, -0.0000121000000000 ] - [ -0.0028005400000000, -0.0011480700000000, -0.0003767600000000 ] - [ -0.0002020400000000, -0.0002813600000000, 0.0000175600000000 ] - [ 0.0000253000000000, -0.0011186100000000, -0.0004575800000000 ] - [ -0.0001941700000000, 0.0002510500000000, -0.0001728800000000 ] - [ -0.0035410000000000, 0.0038529200000000, 0.0000542700000000 ] - [ 0.0001136100000000, 0.0002359900000000, 0.0001184800000000 ] - [ -0.0018952700000000, 0.0005722800000000, -0.0004767000000000 ] - [ -0.0003310700000000, 0.0001280100000000, -0.0000334800000000 ] - [ -0.0003817600000000, -0.0008870900000000, -0.0012052900000000 ] - [ -0.0001920800000000, -0.0002917200000000, -0.0002273600000000 ] - [ -0.0004155900000000, -0.0003727600000000, 0.0001710700000000 ] - [ 0.0000909800000000, -0.0003774900000000, 0.0000852200000000 ] - [ -0.0042827100000000, -0.0026906800000000, -0.0016197900000000 ] - [ -0.0000736800000000, 0.0002077000000000, 0.0000309300000000 ] - [ 0.0002796000000000, 0.0003838900000000, -0.0001097200000000 ] - [ 0.0001424500000000, -0.0000462500000000, 0.0000129900000000 ] - [ 0.0003581400000000, -0.0002267700000000, 0.0002790500000000 ] - [ 0.0000757200000000, -0.0001622800000000, -0.0000148400000000 ] - [ -0.0000190200000000, -0.0001101300000000, 0.0000277500000000 ] - [ -0.0000211900000000, -0.0002521600000000, 0.0000093900000000 ] - [ 0.0013380300000000, -0.0005235200000000, -0.0007435000000000 ] - [ 0.0000385600000000, 0.0002558500000000, -0.0001370400000000 ] - [ 0.0007529700000000, 0.0001337000000000, -0.0000277700000000 ] - [ 0.0001370300000000, 0.0001600200000000, 0.0001156000000000 ] - [ 0.0002557900000000, -0.0000574100000000, 0.0008962100000000 ] - [ 0.0000835800000000, -0.0000577300000000, 0.0002350000000000 ] - [ -0.0009071100000000, 0.0001176000000000, -0.0003011000000000 ] - [ -0.0000064500000000, -0.0001197200000000, -0.0001516400000000 ] - [ 0.0011709500000000, 0.0000074300000000, -0.0014425500000000 ] - [ 0.0005139200000000, -0.0000254500000000, -0.0003528800000000 ] - [ -0.0004525800000000, -0.0000995700000000, 0.0002119200000000 ] - [ -0.0005352300000000, -0.0000129000000000, 0.0004126100000000 ] - [ -0.0010777700000000, -0.0004540800000000, 0.0013650500000000 ] - [ -0.0004529500000000, 0.0001789800000000, 0.0002777600000000 ] - [ -0.0006651900000000, -0.0010687500000000, 0.0002248800000000 ] - [ 0.0003276400000000, 0.0001488100000000, -0.0002825800000000 ] - [ 0.0005421000000000, 0.0005685300000000, -0.0008414500000000 ] - [ -0.0000016300000000, -0.0000179600000000, -0.0000596100000000 ] - [ 0.0004308400000000, -0.0000600600000000, -0.0002518800000000 ] - [ -0.0000707700000000, 0.0000300900000000, 0.0000105700000000 ] - [ -0.0012603300000000, 0.0000783100000000, 0.0018931000000000 ] - [ -0.0001156800000000, 0.0000190500000000, 0.0000782100000000 ] - [ -0.0008181900000000, -0.0003872300000000, 0.0001613700000000 ] - [ -0.0001082400000000, -0.0001326400000000, 0.0000001800000000 ] - [ 0.0022319100000000, 0.0002086500000000, -0.0001425400000000 ] - [ 0.0009339400000000, -0.0001434900000000, 0.0001959600000000 ] - [ -0.0002135900000000, -0.0006562100000000, 0.0000406700000000 ] - [ -0.0007271500000000, -0.0000789100000000, -0.0002133000000000 ] - [ -0.0000177700000000, 0.0001297000000000, 0.0000792100000000 ] - [ -0.0008389500000000, 0.0002128200000000, -0.0002042500000000 ] - [ 0.0007194200000000, 0.0004316000000000, 0.0004791400000000 ] - [ 0.0008725400000000, 0.0001130700000000, 0.0004553100000000 ] - [ 0.0000971200000000, -0.0005295700000000, 0.0000400900000000 ] - [ 0.0000710600000000, -0.0002995500000000, -0.0001924800000000 ] - [ 0.0001874200000000, -0.0005440300000000, 0.0009357400000000 ] - [ -0.0000435900000000, -0.0003284700000000, 0.0002263200000000 ] - [ 0.0018985700000000, 0.0010861200000000, -0.0001535800000000 ] - [ -0.0000211300000000, 0.0003649900000000, 0.0001976000000000 ] - [ 0.0003412400000000, 0.0013493300000000, -0.0001861800000000 ] - [ 0.0002387400000000, 0.0000683500000000, -0.0003689500000000 ] - [ -0.0279620300000000, -0.0134917500000000, 0.0312149100000000 ] - [ -0.0006445100000000, 0.0003443000000000, 0.0003633100000000 ] - [ 0.0006216200000000, 0.0008286200000000, -0.0005906500000000 ] - [ 0.0005675500000000, 0.0002185200000000, -0.0007040900000000 ] - [ -0.0012451600000000, -0.0012789800000000, -0.0023284700000000 ] - [ 0.0005659900000000, -0.0002261700000000, -0.0004230100000000 ] - [ -0.0005946900000000, -0.0003168300000000, 0.0003364600000000 ] - [ -0.0007086000000000, -0.0001285900000000, 0.0006522100000000 ] - [ -0.0272144600000000, -0.0115835600000000, 0.0451095700000000 ] - [ -0.0001405800000000, 0.0007888800000000, 0.0003729200000000 ] - [ -0.0007165800000000, 0.0009789000000000, -0.0002062200000000 ] - [ -0.0002387200000000, 0.0014281100000000, -0.0006751000000000 ] - [ 0.0005661600000000, -0.0011197200000000, -0.0013258800000000 ] - [ 0.0001018400000000, -0.0007121400000000, -0.0003894000000000 ] - [ -0.0004779900000000, -0.0003961700000000, 0.0000599400000000 ] - [ -0.0002352000000000, -0.0006316200000000, 0.0003390100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025418800000000, -0.0027500300000000, 0.0007848200000000 ] - [ -0.0000421700000000, 0.0011016900000000, 0.0000509900000000 ] - [ -0.0014531600000000, 0.0001729700000000, 0.0008424900000000 ] - [ 0.0001373200000000, 0.0010212300000000, -0.0003107800000000 ] - [ -0.0002855700000000, 0.0015640000000000, -0.0047130100000000 ] - [ 0.0000316600000000, 0.0004129300000000, 0.0000535300000000 ] - [ 0.0032926500000000, 0.0027978900000000, -0.0063362200000000 ] - [ -0.0000149700000000, 0.0005815400000000, 0.0001366000000000 ] - [ -0.0292081300000000, -0.0429570500000000, 0.0561098000000000 ] - [ -0.0001573600000000, 0.0001907700000000, -0.0000071800000000 ] - [ -0.0004005000000000, 0.0011855200000000, -0.0007353200000000 ] - [ 0.0010884000000000, 0.0011702400000000, 0.0000617400000000 ] - [ 0.0005019900000000, 0.0002193600000000, -0.0003323400000000 ] - [ 0.0002353800000000, 0.0007566700000000, -0.0000882700000000 ] - [ -0.0001693500000000, 0.0000379600000000, 0.0002379600000000 ] - [ -0.0003711500000000, 0.0006183400000000, 0.0003240800000000 ] - [ -0.0021294400000000, -0.0045244100000000, 0.0009573800000000 ] - [ -0.0000470000000000, 0.0004347000000000, -0.0002867900000000 ] - [ 0.0003070000000000, 0.0007439500000000, 0.0013883300000000 ] - [ -0.0000701600000000, 0.0003571200000000, -0.0000813000000000 ] - [ 0.0007763200000000, -0.0017807300000000, 0.0009795000000000 ] - [ 0.0002263400000000, 0.0006819100000000, 0.0003887200000000 ] - [ -0.0000815600000000, 0.0006344400000000, -0.0006801200000000 ] - [ -0.0007663500000000, 0.0005406600000000, 0.0007270400000000 ] - [ 0.0032293500000000, 0.0020421500000000, -0.0018759600000000 ] - [ -0.0002185800000000, 0.0010323300000000, 0.0002239400000000 ] - [ 0.0008071200000000, -0.0002302900000000, -0.0002454200000000 ] - [ -0.0000876000000000, 0.0009319900000000, -0.0001614100000000 ] - [ 0.0003241300000000, -0.0026559700000000, 0.0012559000000000 ] - [ 0.0003719800000000, 0.0001900000000000, -0.0002495900000000 ] - [ 0.0001659300000000, 0.0004463600000000, 0.0018492100000000 ] - [ -0.0003076200000000, 0.0000766500000000, -0.0001571500000000 ] - [ 0.0001902200000000, -0.0002829700000000, -0.0004435800000000 ] - [ 0.0001927800000000, 0.0006211800000000, 0.0000376800000000 ] - [ -0.0003760700000000, 0.0001812500000000, 0.0003008000000000 ] - [ -0.0001004600000000, 0.0005617200000000, 0.0000785500000000 ] - [ 0.0001272000000000, -0.0021289100000000, -0.0003330900000000 ] - [ -0.0001351000000000, 0.0002034800000000, 0.0000170500000000 ] - [ 0.0010825500000000, 0.0003938800000000, 0.0000147500000000 ] - [ -0.0011540200000000, 0.0010026600000000, -0.0004072500000000 ] - [ -0.0009061100000000, -0.0018417100000000, -0.0004043700000000 ] - [ 0.0001495000000000, 0.0009091300000000, 0.0001414000000000 ] - [ -0.0007773600000000, 0.0006681100000000, -0.0003434700000000 ] - [ -0.0002959600000000, 0.0008002500000000, -0.0000135300000000 ] - [ -0.0000006400000000, -0.0008228800000000, 0.0000373700000000 ] - [ -0.0002099100000000, 0.0002831500000000, -0.0001653500000000 ] - [ 0.0004449200000000, -0.0006538500000000, -0.0002172800000000 ] - [ 0.0001643400000000, 0.0001809600000000, 0.0001793200000000 ] - [ 0.0019555000000000, 0.0020409600000000, 0.0005820700000000 ] - [ -0.0000238200000000, -0.0001609000000000, 0.0000374800000000 ] - [ -0.0000857600000000, 0.0000278600000000, -0.0000415400000000 ] - [ 0.0001527900000000, -0.0001136500000000, 0.0000683600000000 ] - [ 0.0000066600000000, 0.0002004900000000, -0.0000379900000000 ] - [ 0.0001162600000000, -0.0004928400000000, -0.0000399300000000 ] - [ -0.0001216100000000, -0.0003590900000000, -0.0000062800000000 ] - [ -0.0000535200000000, -0.0002043900000000, 0.0000984000000000 ] - [ -0.0006336100000000, 0.0012064200000000, -0.0005668700000000 ] - [ -0.0000471100000000, -0.0001528500000000, -0.0001677700000000 ] - [ -0.0000031200000000, 0.0002037700000000, -0.0001103500000000 ] - [ 0.0000732200000000, -0.0001041400000000, 0.0002267300000000 ] - [ 0.0001319500000000, -0.0000522900000000, 0.0005267100000000 ] - [ -0.0000727500000000, -0.0004368600000000, 0.0001047200000000 ] - [ 0.0000552400000000, -0.0001229900000000, 0.0004002200000000 ] - [ -0.0000113200000000, -0.0004526400000000, -0.0001972700000000 ] - [ -0.0001684700000000, 0.0002836700000000, 0.0007671500000000 ] - [ 0.0004277000000000, -0.0004628400000000, -0.0002972000000000 ] - [ -0.0006461100000000, 0.0000141800000000, 0.0005098400000000 ] - [ -0.0004756300000000, -0.0002312500000000, 0.0002445500000000 ] - [ -0.0004420900000000, 0.0015903500000000, 0.0005663800000000 ] - [ -0.0006431100000000, -0.0003861300000000, 0.0004211100000000 ] - [ 0.0012427300000000, -0.0013839500000000, 0.0001555400000000 ] - [ 0.0004229200000000, -0.0006033800000000, -0.0003329400000000 ] - [ 0.0001928000000000, 0.0001389600000000, 0.0000317900000000 ] - [ 0.0001017700000000, -0.0003265800000000, -0.0001528400000000 ] - [ 0.0002415400000000, 0.0004137200000000, -0.0000348500000000 ] - [ 0.0000249700000000, -0.0004410800000000, 0.0000018100000000 ] - [ 0.0010608800000000, 0.0018581000000000, -0.0015619000000000 ] - [ -0.0001165800000000, -0.0004801100000000, 0.0001083800000000 ] - [ 0.0004060900000000, 0.0002100300000000, -0.0021703900000000 ] - [ -0.0000491300000000, -0.0007053300000000, 0.0002205000000000 ] - [ 0.0007759300000000, 0.0000820700000000, 0.0007397100000000 ] - [ 0.0009437500000000, -0.0006166400000000, 0.0000569700000000 ] - [ -0.0004968700000000, 0.0001672700000000, -0.0001795600000000 ] - [ -0.0008970500000000, -0.0005459000000000, -0.0001801800000000 ] - [ -0.0015989200000000, 0.0010726600000000, 0.0001250900000000 ] - [ -0.0008341100000000, -0.0002118600000000, -0.0003326200000000 ] - [ 0.0001187300000000, 0.0000406200000000, -0.0000240300000000 ] - [ 0.0010226600000000, -0.0002179700000000, 0.0007478500000000 ] - [ 0.0002368500000000, 0.0002790200000000, -0.0007279000000000 ] - [ -0.0000393900000000, -0.0007097700000000, -0.0001514700000000 ] - [ -0.0003217700000000, -0.0000023400000000, -0.0005906800000000 ] - [ 0.0000103500000000, -0.0006421800000000, 0.0002230200000000 ] - [ -0.0003263100000000, 0.0011795000000000, -0.0000284700000000 ] - [ -0.0001628400000000, -0.0001652100000000, 0.0003107000000000 ] - [ -0.0001860000000000, -0.0000452700000000, 0.0001204500000000 ] - [ 0.0005723300000000, -0.0004396100000000, -0.0007867600000000 ] - [ 0.0128817000000000, 0.0200954000000000, -0.0242749500000000 ] - [ -0.0006694600000000, -0.0001930900000000, 0.0004576300000000 ] - [ -0.0003502100000000, 0.0000149600000000, 0.0000074200000000 ] - [ 0.0012478100000000, -0.0006444900000000, -0.0004476500000000 ] - [ 0.0020295300000000, 0.0004042200000000, 0.0005368800000000 ] - [ 0.0005147000000000, -0.0006769600000000, -0.0003717300000000 ] - [ 0.0000865400000000, -0.0009654200000000, -0.0002747000000000 ] - [ -0.0008198000000000, -0.0002358300000000, 0.0008868300000000 ] - [ 0.0116407000000000, 0.0198907300000000, -0.0233407900000000 ] - [ -0.0001974300000000, 0.0001509300000000, 0.0003597100000000 ] - [ 0.0001185000000000, 0.0001105000000000, 0.0003521400000000 ] - [ 0.0002653400000000, -0.0001834900000000, -0.0006851900000000 ] - [ -0.0002950500000000, 0.0012273200000000, -0.0004149600000000 ] - [ 0.0000407500000000, -0.0012233500000000, -0.0003351200000000 ] - [ 0.0002539300000000, -0.0014588500000000, -0.0001399300000000 ] - [ -0.0001230000000000, -0.0011724700000000, 0.0004185000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024767200000000, 0.0037257300000000, -0.0006932000000000 ] - [ -0.0000366900000000, -0.0002026600000000, 0.0000011700000000 ] - [ 0.0015069900000000, 0.0007182100000000, -0.0008815100000000 ] - [ -0.0000579200000000, -0.0001164900000000, 0.0002632000000000 ] - [ 0.0004067400000000, -0.0024948500000000, 0.0046488000000000 ] - [ 0.0000473700000000, -0.0013204600000000, -0.0001081500000000 ] - [ -0.0034226000000000, -0.0036463400000000, 0.0064759700000000 ] - [ -0.0000637000000000, -0.0014802100000000, -0.0000816800000000 ] - [ 0.0286668700000000, 0.0420705600000000, -0.0558827700000000 ] - [ -0.0002242100000000, -0.0009246300000000, 0.0001318000000000 ] - [ 0.0007709900000000, -0.0019034000000000, 0.0005924300000000 ] - [ -0.0007223400000000, -0.0019186600000000, -0.0001873200000000 ] - [ -0.0001178200000000, 0.0005128100000000, 0.0002108500000000 ] - [ 0.0001453900000000, -0.0000236900000000, -0.0000360800000000 ] - [ -0.0002116100000000, 0.0007032400000000, -0.0001162000000000 ] - [ -0.0000121300000000, 0.0001079500000000, -0.0001927100000000 ] - [ 0.0018359100000000, 0.0041295000000000, -0.0016548400000000 ] - [ -0.0002039400000000, -0.0007289400000000, -0.0003654000000000 ] - [ -0.0000567800000000, -0.0010406500000000, -0.0007478600000000 ] - [ 0.0003217300000000, -0.0006511900000000, 0.0007338500000000 ] - [ -0.0004813500000000, 0.0020571000000000, -0.0003222200000000 ] - [ 0.0000245800000000, -0.0003903700000000, 0.0002654700000000 ] - [ -0.0001667500000000, -0.0003485000000000, 0.0000223600000000 ] - [ 0.0005207200000000, -0.0002464000000000, -0.0013989700000000 ] - [ -0.0038946800000000, -0.0014274600000000, 0.0021929700000000 ] - [ -0.0003742900000000, -0.0003654300000000, 0.0001455000000000 ] - [ -0.0002163200000000, 0.0009110400000000, -0.0001216200000000 ] - [ 0.0006764200000000, -0.0002619600000000, -0.0002109000000000 ] - [ 0.0002750400000000, 0.0020070900000000, -0.0016433200000000 ] - [ 0.0002205000000000, -0.0008621600000000, -0.0001215200000000 ] - [ -0.0007517800000000, -0.0011144700000000, -0.0014502400000000 ] - [ -0.0002893900000000, -0.0007441800000000, 0.0005338100000000 ] - [ 0.0001156600000000, 0.0007970200000000, 0.0003803000000000 ] - [ 0.0001224700000000, -0.0001114900000000, -0.0000998300000000 ] - [ 0.0000616800000000, 0.0003332400000000, -0.0002406600000000 ] - [ -0.0002144600000000, -0.0000521600000000, -0.0000159900000000 ] - [ -0.0004574400000000, 0.0016214800000000, 0.0003978400000000 ] - [ -0.0001806400000000, -0.0007155800000000, 0.0000431300000000 ] - [ -0.0007512900000000, -0.0009032300000000, -0.0000809900000000 ] - [ 0.0014860700000000, -0.0015264300000000, 0.0003505200000000 ] - [ 0.0011901200000000, 0.0024486500000000, 0.0006477400000000 ] - [ 0.0001289900000000, -0.0003219500000000, 0.0001042900000000 ] - [ 0.0004962000000000, -0.0000883900000000, 0.0000917100000000 ] - [ 0.0000204800000000, -0.0002123600000000, -0.0002343200000000 ] - [ -0.0002801200000000, 0.0002224300000000, -0.0002803700000000 ] - [ -0.0000663300000000, -0.0008745900000000, -0.0000801500000000 ] - [ -0.0001743700000000, 0.0000683400000000, 0.0004574600000000 ] - [ 0.0001122700000000, -0.0007742400000000, 0.0000687900000000 ] - [ -0.0021230800000000, -0.0016647600000000, -0.0005055600000000 ] - [ -0.0001298400000000, 0.0005585000000000, 0.0000295200000000 ] - [ 0.0002411900000000, 0.0003690900000000, -0.0000257500000000 ] - [ 0.0000022400000000, 0.0005134100000000, -0.0001331400000000 ] - [ 0.0001457300000000, -0.0005966400000000, -0.0000314400000000 ] - [ 0.0000369100000000, 0.0000975100000000, -0.0000273800000000 ] - [ -0.0000308400000000, -0.0000321100000000, 0.0000710500000000 ] - [ -0.0001003600000000, -0.0001952000000000, -0.0000298400000000 ] - [ 0.0006307400000000, -0.0008935400000000, 0.0002652900000000 ] - [ 0.0000346800000000, 0.0004848300000000, -0.0001420100000000 ] - [ 0.0000160200000000, 0.0001295500000000, 0.0004216500000000 ] - [ -0.0000620700000000, 0.0004352000000000, 0.0000833500000000 ] - [ -0.0001154100000000, -0.0002742700000000, -0.0002127200000000 ] - [ 0.0000860100000000, 0.0001078800000000, 0.0002067100000000 ] - [ -0.0000532600000000, -0.0002222200000000, -0.0007068700000000 ] - [ -0.0000020300000000, 0.0001237400000000, -0.0001153200000000 ] - [ 0.0011851100000000, -0.0004336400000000, -0.0014428700000000 ] - [ 0.0005829400000000, 0.0003205900000000, -0.0003803900000000 ] - [ -0.0003681300000000, -0.0001517000000000, 0.0001679400000000 ] - [ -0.0005359600000000, 0.0000854000000000, 0.0004325900000000 ] - [ -0.0006065300000000, -0.0014279600000000, 0.0001105700000000 ] - [ -0.0003661900000000, 0.0005322900000000, 0.0002556400000000 ] - [ -0.0002053900000000, 0.0014889700000000, -0.0008477400000000 ] - [ 0.0005840100000000, 0.0007443300000000, -0.0003414700000000 ] - [ -0.0000360400000000, -0.0000918400000000, -0.0001480900000000 ] - [ 0.0000534400000000, 0.0003488000000000, 0.0000621000000000 ] - [ -0.0004135000000000, -0.0004015000000000, 0.0001310700000000 ] - [ -0.0001793200000000, 0.0004642100000000, 0.0000897100000000 ] - [ -0.0012253700000000, -0.0018874700000000, 0.0016619100000000 ] - [ -0.0000391400000000, 0.0004594100000000, -0.0000141200000000 ] - [ -0.0002482000000000, -0.0001905200000000, 0.0020702900000000 ] - [ 0.0002072700000000, 0.0006887600000000, -0.0003175100000000 ] - [ 0.0009599800000000, -0.0004140300000000, -0.0002698600000000 ] - [ 0.0007713800000000, 0.0002784900000000, 0.0004070100000000 ] - [ -0.0012240600000000, -0.0005123600000000, -0.0002860600000000 ] - [ -0.0008191800000000, 0.0002068200000000, -0.0002827100000000 ] - [ -0.0001060800000000, -0.0007353500000000, -0.0005834400000000 ] - [ -0.0008820500000000, 0.0005551600000000, -0.0001290000000000 ] - [ 0.0015874600000000, 0.0003058400000000, 0.0004791200000000 ] - [ 0.0006924200000000, 0.0005605600000000, -0.0002927000000000 ] - [ -0.0001062500000000, -0.0009226900000000, 0.0002756400000000 ] - [ 0.0001568800000000, 0.0000429900000000, -0.0003047300000000 ] - [ 0.0002083100000000, -0.0006702200000000, 0.0010589800000000 ] - [ -0.0001285000000000, -0.0000224700000000, 0.0002317000000000 ] - [ 0.0002038400000000, -0.0005177800000000, 0.0004754200000000 ] - [ 0.0000463500000000, 0.0008335000000000, 0.0001450400000000 ] - [ 0.0003005700000000, 0.0007238100000000, -0.0005633900000000 ] - [ -0.0004595100000000, 0.0011123100000000, 0.0003395500000000 ] - [ -0.0136642300000000, -0.0195771000000000, 0.0244963700000000 ] - [ -0.0005080900000000, 0.0007571900000000, 0.0003660900000000 ] - [ 0.0015371500000000, 0.0005429100000000, -0.0008392900000000 ] - [ -0.0000611400000000, 0.0011990300000000, -0.0003741600000000 ] - [ -0.0008750600000000, -0.0009793800000000, -0.0013763100000000 ] - [ 0.0006629300000000, 0.0001167200000000, -0.0004511800000000 ] - [ -0.0012545700000000, 0.0004002600000000, 0.0010857200000000 ] - [ -0.0003538100000000, -0.0003410700000000, -0.0000678900000000 ] - [ -0.0120065200000000, -0.0181328700000000, 0.0246169100000000 ] - [ -0.0000319600000000, 0.0013787900000000, 0.0004030500000000 ] - [ 0.0001069200000000, 0.0014240900000000, -0.0011055400000000 ] - [ -0.0000377300000000, 0.0017188200000000, -0.0000728200000000 ] - [ 0.0005227700000000, -0.0027286600000000, -0.0003522300000000 ] - [ 0.0001894700000000, -0.0003045900000000, -0.0004293100000000 ] - [ -0.0004866100000000, -0.0000778500000000, 0.0009065900000000 ] - [ -0.0001077200000000, -0.0003508300000000, 0.0003451100000000 ]- atom: 9 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0040854100000000, 0.0080611100000000, 0.0130252900000000 ] - [ -0.0000721200000000, 0.0002104500000000, 0.0000371400000000 ] - [ -0.0008260700000000, 0.0017972000000000, 0.0001237700000000 ] - [ -0.0001674700000000, -0.0000384000000000, 0.0001414100000000 ] - [ 0.0053466800000000, -0.0066632200000000, 0.0065124000000000 ] - [ 0.0000826400000000, -0.0002801600000000, -0.0000092400000000 ] - [ -0.0005341500000000, -0.0139927100000000, 0.0031062700000000 ] - [ 0.0000086400000000, -0.0002556200000000, -0.0000582400000000 ] - [ 0.1007855900000000, 0.0618733200000000, -0.2386867200000000 ] - [ -0.0002252000000000, -0.0004431100000000, -0.0000722800000000 ] - [ -0.0001193300000000, -0.0001939900000000, -0.0013973800000000 ] - [ 0.0003593100000000, 0.0000738700000000, -0.0012385900000000 ] - [ -0.0008929500000000, 0.0000095200000000, 0.0029239700000000 ] - [ 0.0001863400000000, 0.0003270100000000, 0.0000893700000000 ] - [ -0.0004940400000000, 0.0002040100000000, 0.0016005400000000 ] - [ -0.0003307500000000, 0.0000643800000000, 0.0006426800000000 ] - [ 0.0033709800000000, 0.0073754200000000, 0.0167845300000000 ] - [ -0.0001615400000000, -0.0002596100000000, -0.0003180200000000 ] - [ 0.0003779800000000, 0.0007031300000000, 0.0011445300000000 ] - [ 0.0003356200000000, -0.0003648900000000, 0.0008873800000000 ] - [ -0.0064390700000000, 0.0018525100000000, 0.0002841500000000 ] - [ 0.0001010000000000, 0.0000755600000000, 0.0002430800000000 ] - [ 0.0000239100000000, -0.0005913700000000, -0.0002530600000000 ] - [ -0.0001034600000000, 0.0007245800000000, -0.0009771900000000 ] - [ -0.0111646600000000, -0.0058735200000000, 0.0005147600000000 ] - [ -0.0003306900000000, 0.0002555000000000, 0.0001310200000000 ] - [ -0.0003345200000000, 0.0001441500000000, -0.0007824400000000 ] - [ 0.0001296400000000, 0.0004126600000000, -0.0003463400000000 ] - [ 0.0019102600000000, -0.0001179000000000, 0.0013292900000000 ] - [ 0.0003108400000000, -0.0004041800000000, -0.0001227700000000 ] - [ -0.0000189100000000, 0.0008323900000000, 0.0006782700000000 ] - [ 0.0000388600000000, -0.0010614100000000, 0.0003261500000000 ] - [ -0.0002175800000000, -0.0000859200000000, 0.0021445000000000 ] - [ 0.0001576100000000, 0.0002001800000000, 0.0000772400000000 ] - [ 0.0000774400000000, 0.0000344400000000, 0.0004382500000000 ] - [ -0.0001039600000000, 0.0003829400000000, 0.0001481200000000 ] - [ 0.0000576400000000, -0.0002136400000000, -0.0008232700000000 ] - [ -0.0001539400000000, -0.0003114100000000, -0.0000199100000000 ] - [ 0.0006255300000000, -0.0002131200000000, -0.0010349700000000 ] - [ 0.0002847400000000, -0.0004754500000000, -0.0002324000000000 ] - [ -0.0000530400000000, 0.0006732500000000, -0.0012702600000000 ] - [ 0.0001784200000000, 0.0002455600000000, 0.0000286400000000 ] - [ -0.0002952100000000, -0.0002092700000000, -0.0005605300000000 ] - [ -0.0000504200000000, 0.0004961600000000, -0.0003052000000000 ] - [ 0.0005392100000000, -0.0002228300000000, 0.0000977800000000 ] - [ -0.0001041600000000, -0.0004635100000000, 0.0000292000000000 ] - [ 0.0001910400000000, -0.0000028500000000, 0.0017288500000000 ] - [ 0.0001782000000000, -0.0003868600000000, 0.0002158000000000 ] - [ -0.0000947100000000, -0.0000619300000000, 0.0018541000000000 ] - [ -0.0000920400000000, 0.0002531900000000, 0.0000776900000000 ] - [ 0.0000628400000000, -0.0001970200000000, 0.0002500500000000 ] - [ 0.0000918400000000, 0.0003651000000000, 0.0001337400000000 ] - [ 0.0000530500000000, -0.0003475300000000, -0.0005420600000000 ] - [ 0.0000718500000000, -0.0001542800000000, -0.0000773000000000 ] - [ -0.0000516100000000, -0.0001588400000000, -0.0001976500000000 ] - [ 0.0000602100000000, -0.0000549700000000, -0.0003617200000000 ] - [ 0.0019862300000000, -0.0011778200000000, 0.0006937400000000 ] - [ 0.0000456900000000, 0.0002951900000000, -0.0000667900000000 ] - [ 0.0003018800000000, -0.0000164700000000, 0.0007099000000000 ] - [ 0.0001237900000000, 0.0002650600000000, 0.0003174400000000 ] - [ -0.0003896200000000, -0.0000565800000000, -0.0002516700000000 ] - [ -0.0000583900000000, -0.0001989200000000, 0.0000385500000000 ] - [ -0.0021147400000000, 0.0010727300000000, -0.0020973800000000 ] - [ -0.0000587800000000, -0.0001761600000000, -0.0002263300000000 ] - [ 0.0016783700000000, 0.0001520100000000, -0.0023599400000000 ] - [ 0.0005669200000000, -0.0000034200000000, -0.0004240800000000 ] - [ -0.0003191500000000, -0.0002280300000000, -0.0001052000000000 ] - [ -0.0003811800000000, -0.0000071000000000, 0.0001187400000000 ] - [ -0.0011242000000000, -0.0000711900000000, 0.0016126700000000 ] - [ -0.0005351800000000, 0.0000918600000000, 0.0004337100000000 ] - [ -0.0008909900000000, 0.0002322500000000, 0.0020145400000000 ] - [ 0.0003046500000000, -0.0000233100000000, -0.0000997100000000 ] - [ 0.0004632800000000, 0.0013103200000000, -0.0021551700000000 ] - [ 0.0001669000000000, -0.0000691000000000, -0.0001488000000000 ] - [ 0.0018862400000000, 0.0002671000000000, -0.0010813000000000 ] - [ -0.0000170100000000, -0.0000131300000000, -0.0000119200000000 ] - [ 0.0007041600000000, 0.0013773200000000, 0.0015776000000000 ] - [ -0.0000980000000000, 0.0001778700000000, 0.0001191900000000 ] - [ -0.0001231900000000, -0.0005275000000000, 0.0007874700000000 ] - [ -0.0000232200000000, 0.0001294500000000, 0.0000665200000000 ] - [ 0.0014346700000000, 0.0006300800000000, 0.0002245900000000 ] - [ 0.0008476400000000, -0.0001181000000000, 0.0002887900000000 ] - [ -0.0007495100000000, -0.0003559300000000, 0.0003601500000000 ] - [ -0.0008142000000000, -0.0001807100000000, -0.0001321400000000 ] - [ -0.0013614100000000, -0.0001722100000000, -0.0011015400000000 ] - [ -0.0008830500000000, 0.0002111500000000, -0.0002663100000000 ] - [ 0.0003074600000000, 0.0000712000000000, 0.0002785700000000 ] - [ 0.0006560300000000, 0.0004152900000000, 0.0002390500000000 ] - [ -0.0006502100000000, -0.0015452400000000, -0.0025697100000000 ] - [ 0.0000655300000000, -0.0001341000000000, -0.0003545600000000 ] - [ -0.0004656900000000, -0.0005539700000000, -0.0011603400000000 ] - [ -0.0000914400000000, -0.0003119800000000, -0.0000011800000000 ] - [ 0.0010294700000000, 0.0006677100000000, 0.0018331700000000 ] - [ -0.0000408300000000, 0.0003323500000000, 0.0003254200000000 ] - [ 0.0003746300000000, 0.0017677000000000, 0.0008066300000000 ] - [ -0.0001193400000000, 0.0004177500000000, 0.0000414000000000 ] - [ -0.0456822000000000, -0.0311430300000000, 0.0944507600000000 ] - [ -0.0005526400000000, 0.0003080500000000, 0.0004635100000000 ] - [ 0.0011392900000000, 0.0015899800000000, 0.0003712600000000 ] - [ 0.0008972900000000, -0.0000541400000000, -0.0002830600000000 ] - [ -0.0004706100000000, -0.0003415300000000, -0.0041933600000000 ] - [ 0.0005890000000000, -0.0002243500000000, -0.0004695300000000 ] - [ -0.0002640400000000, -0.0007824900000000, -0.0000289300000000 ] - [ -0.0005347700000000, 0.0003094200000000, 0.0005873900000000 ] - [ -0.0470145700000000, -0.0256030100000000, 0.1060776700000000 ] - [ -0.0001133700000000, 0.0008170900000000, 0.0004420300000000 ] - [ -0.0005660600000000, 0.0021358200000000, -0.0002859800000000 ] - [ 0.0001577900000000, 0.0002485500000000, -0.0001615300000000 ] - [ 0.0018823200000000, -0.0023285400000000, -0.0023383100000000 ] - [ 0.0001708700000000, -0.0006212700000000, -0.0004426300000000 ] - [ 0.0003756700000000, -0.0013604800000000, -0.0007188100000000 ] - [ -0.0001290900000000, -0.0004415200000000, 0.0001934300000000 ]- atom: 9 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0040721900000000, -0.0072602400000000, -0.0131631800000000 ] - [ -0.0000066100000000, 0.0006926100000000, 0.0000164000000000 ] - [ 0.0009060400000000, -0.0008798300000000, -0.0001805900000000 ] - [ 0.0002463200000000, 0.0009395400000000, -0.0001938000000000 ] - [ -0.0053116300000000, 0.0058321100000000, -0.0066299300000000 ] - [ -0.0000040700000000, -0.0006221400000000, -0.0000434800000000 ] - [ 0.0004353400000000, 0.0129860300000000, -0.0029961100000000 ] - [ -0.0000876400000000, -0.0006481100000000, 0.0001103800000000 ] - [ -0.1012994100000000, -0.0628560300000000, 0.2382065400000000 ] - [ -0.0001557100000000, -0.0002900800000000, 0.0001974300000000 ] - [ 0.0004987800000000, -0.0005412200000000, 0.0012764900000000 ] - [ 0.0000255200000000, -0.0008059100000000, 0.0011117000000000 ] - [ 0.0012763500000000, 0.0007234000000000, -0.0030464800000000 ] - [ 0.0001942300000000, 0.0004053700000000, -0.0002144900000000 ] - [ 0.0001151400000000, 0.0005257000000000, -0.0014811300000000 ] - [ -0.0000499600000000, 0.0006691800000000, -0.0005186000000000 ] - [ -0.0035897200000000, -0.0076051500000000, -0.0171576200000000 ] - [ -0.0000899700000000, -0.0000332500000000, -0.0003363700000000 ] - [ -0.0001301500000000, -0.0009946300000000, -0.0004867200000000 ] - [ -0.0000850000000000, 0.0000743900000000, -0.0002343900000000 ] - [ 0.0066245000000000, -0.0015500800000000, 0.0003697100000000 ] - [ 0.0001497600000000, 0.0002166500000000, 0.0004102200000000 ] - [ -0.0002748900000000, 0.0008864600000000, -0.0004007900000000 ] - [ -0.0001476700000000, -0.0004382400000000, 0.0003309300000000 ] - [ 0.0106619500000000, 0.0066092100000000, -0.0001954400000000 ] - [ -0.0002622000000000, 0.0004152500000000, 0.0002407600000000 ] - [ 0.0009247500000000, 0.0005225900000000, 0.0004111900000000 ] - [ 0.0004640600000000, 0.0002576300000000, -0.0000249300000000 ] - [ -0.0013283700000000, -0.0005632100000000, -0.0017012000000000 ] - [ 0.0002819900000000, -0.0002656200000000, -0.0002480700000000 ] - [ -0.0005750700000000, -0.0014965700000000, -0.0003115800000000 ] - [ -0.0006313900000000, 0.0003873000000000, 0.0000427700000000 ] - [ 0.0005332900000000, 0.0005936700000000, -0.0021943300000000 ] - [ 0.0001581100000000, 0.0003099000000000, -0.0001380000000000 ] - [ -0.0003920900000000, 0.0004749900000000, -0.0003761000000000 ] - [ -0.0002123700000000, 0.0001277000000000, -0.0000875200000000 ] - [ -0.0003652000000000, -0.0002892000000000, 0.0008819700000000 ] - [ -0.0001616800000000, -0.0001988700000000, 0.0000818700000000 ] - [ -0.0003106700000000, -0.0002982400000000, 0.0009757900000000 ] - [ 0.0000267200000000, -0.0000312600000000, 0.0001701200000000 ] - [ 0.0003178900000000, -0.0000712500000000, 0.0015248400000000 ] - [ 0.0000982700000000, 0.0003432400000000, 0.0002170900000000 ] - [ 0.0000252300000000, 0.0007956300000000, 0.0003155300000000 ] - [ -0.0002277100000000, 0.0000937100000000, 0.0000589600000000 ] - [ -0.0008129300000000, -0.0003640500000000, -0.0003490200000000 ] - [ -0.0001732600000000, -0.0001264700000000, -0.0002757700000000 ] - [ 0.0000897000000000, -0.0005882400000000, -0.0014778600000000 ] - [ 0.0000993600000000, -0.0002021500000000, 0.0000305300000000 ] - [ -0.0000216900000000, 0.0004664300000000, -0.0017992200000000 ] - [ -0.0000612000000000, 0.0001425800000000, -0.0000107000000000 ] - [ 0.0000898400000000, 0.0005928100000000, -0.0003164200000000 ] - [ 0.0000616200000000, 0.0000320800000000, -0.0002014100000000 ] - [ 0.0001037900000000, -0.0000493000000000, 0.0004793700000000 ] - [ 0.0000812700000000, -0.0002414600000000, 0.0000103400000000 ] - [ -0.0001015400000000, -0.0002382100000000, 0.0002634100000000 ] - [ -0.0002139200000000, -0.0003390500000000, 0.0004284300000000 ] - [ -0.0020129200000000, 0.0015135600000000, -0.0010107600000000 ] - [ -0.0000581600000000, 0.0000345200000000, -0.0002445400000000 ] - [ -0.0002867400000000, 0.0003454900000000, -0.0003958200000000 ] - [ -0.0001106100000000, 0.0000652200000000, -0.0000055500000000 ] - [ 0.0004006400000000, -0.0002753400000000, 0.0005590700000000 ] - [ 0.0000708800000000, -0.0001310100000000, 0.0002723700000000 ] - [ 0.0020943800000000, -0.0013929200000000, 0.0017772000000000 ] - [ 0.0000462000000000, -0.0001541800000000, -0.0000842100000000 ] - [ -0.0006649500000000, -0.0002933500000000, 0.0016780400000000 ] - [ 0.0004433200000000, -0.0001403100000000, -0.0002528100000000 ] - [ -0.0006898500000000, 0.0000809500000000, 0.0007816400000000 ] - [ -0.0006282300000000, -0.0001355800000000, 0.0005586200000000 ] - [ 0.0000872200000000, 0.0002364200000000, -0.0009562800000000 ] - [ -0.0004751500000000, 0.0000519600000000, 0.0002433000000000 ] - [ 0.0019017300000000, -0.0001102400000000, -0.0026819300000000 ] - [ 0.0007064400000000, 0.0001681000000000, -0.0005783200000000 ] - [ -0.0003079000000000, -0.0012855000000000, 0.0020542500000000 ] - [ -0.0000106900000000, 0.0000932800000000, 0.0000556500000000 ] - [ -0.0020444200000000, -0.0002434600000000, 0.0011754500000000 ] - [ -0.0001390900000000, 0.0000354500000000, 0.0001051200000000 ] - [ -0.0009608300000000, -0.0014991800000000, -0.0015687300000000 ] - [ -0.0000579100000000, -0.0002006400000000, -0.0000269000000000 ] - [ 0.0002805500000000, 0.0005693800000000, -0.0008577600000000 ] - [ 0.0001775200000000, -0.0001523200000000, -0.0001583000000000 ] - [ 0.0003004900000000, -0.0009747000000000, 0.0002313700000000 ] - [ 0.0008683900000000, -0.0002230600000000, 0.0001722700000000 ] - [ -0.0009647800000000, 0.0000158900000000, -0.0008250400000000 ] - [ -0.0009016300000000, -0.0001600600000000, -0.0003299600000000 ] - [ -0.0003598200000000, 0.0005124400000000, 0.0006370100000000 ] - [ -0.0008330600000000, 0.0001294700000000, -0.0001966800000000 ] - [ 0.0014091000000000, 0.0002676900000000, 0.0001854400000000 ] - [ 0.0010588000000000, -0.0000745100000000, 0.0002265100000000 ] - [ 0.0007712700000000, 0.0008779600000000, 0.0020999400000000 ] - [ 0.0000515700000000, -0.0005329700000000, -0.0001004600000000 ] - [ 0.0003461300000000, -0.0001102000000000, 0.0016103000000000 ] - [ -0.0000254000000000, -0.0003563000000000, 0.0004567700000000 ] - [ -0.0011393800000000, 0.0000019500000000, -0.0013723600000000 ] - [ -0.0000762000000000, 0.0003351000000000, 0.0001298200000000 ] - [ -0.0002613100000000, -0.0011049500000000, -0.0012641700000000 ] - [ 0.0002376300000000, 0.0002482600000000, -0.0005013200000000 ] - [ 0.0471221400000000, 0.0338060700000000, -0.0984137300000000 ] - [ -0.0006250000000000, 0.0002536800000000, 0.0003591800000000 ] - [ 0.0000389000000000, -0.0010218700000000, -0.0011926100000000 ] - [ 0.0002784700000000, 0.0006173000000000, -0.0005395100000000 ] - [ 0.0016566500000000, -0.0002255500000000, 0.0033933800000000 ] - [ 0.0005886300000000, -0.0003376000000000, -0.0003537100000000 ] - [ -0.0009155400000000, 0.0002205000000000, 0.0008535500000000 ] - [ -0.0006436100000000, -0.0008851100000000, 0.0002491400000000 ] - [ 0.0443076700000000, 0.0253051600000000, -0.0998650800000000 ] - [ -0.0001162100000000, 0.0007112400000000, 0.0003215000000000 ] - [ 0.0007988400000000, -0.0006115000000000, -0.0004778300000000 ] - [ 0.0000741500000000, 0.0012768900000000, -0.0006014900000000 ] - [ -0.0016370300000000, 0.0007886800000000, 0.0015598600000000 ] - [ 0.0000592600000000, -0.0009070400000000, -0.0003201300000000 ] - [ -0.0006080300000000, -0.0001637000000000, 0.0014874800000000 ] - [ -0.0001007800000000, -0.0010875800000000, 0.0005702200000000 ]- atom: 17 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0003666600000000, 0.0007143000000000, -0.0006464800000000 ] - [ -0.0000831300000000, 0.0005556100000000, 0.0000671100000000 ] - [ 0.0004281800000000, -0.0050842400000000, 0.0006629400000000 ] - [ 0.0000239500000000, 0.0007186000000000, -0.0002474500000000 ] - [ 0.0002818600000000, -0.0010303100000000, 0.0000988900000000 ] - [ 0.0000553300000000, -0.0002667800000000, 0.0000091200000000 ] - [ -0.0013601800000000, 0.0043200700000000, -0.0004753200000000 ] - [ -0.0001499400000000, -0.0003086800000000, -0.0002470800000000 ] - [ -0.0027933100000000, -0.0023714200000000, 0.0027866100000000 ] - [ -0.0001922300000000, -0.0002881200000000, 0.0000242400000000 ] - [ 0.0001255700000000, -0.0005434600000000, 0.0001780900000000 ] - [ 0.0001487700000000, -0.0001714900000000, 0.0001440900000000 ] - [ 0.0041000800000000, 0.0009865500000000, -0.0055736800000000 ] - [ 0.0001922200000000, 0.0004668500000000, -0.0000870500000000 ] - [ -0.0004172500000000, 0.0010149500000000, 0.0000120900000000 ] - [ -0.0005332700000000, 0.0003229400000000, 0.0001028400000000 ] - [ -0.0836352400000000, -0.0690315500000000, -0.0744792600000000 ] - [ -0.0001693700000000, -0.0000183600000000, -0.0003794000000000 ] - [ 0.0003558800000000, -0.0001261000000000, 0.0005396200000000 ] - [ 0.0003528000000000, -0.0001363900000000, 0.0002655200000000 ] - [ 0.0038318500000000, 0.0029443200000000, 0.0048369700000000 ] - [ 0.0001433400000000, 0.0002431500000000, 0.0003361600000000 ] - [ -0.0003150000000000, 0.0000952100000000, -0.0003904700000000 ] - [ -0.0003588800000000, 0.0003426800000000, -0.0002730400000000 ] - [ -0.0014490700000000, 0.0003009500000000, -0.0007753400000000 ] - [ -0.0003039200000000, 0.0005309400000000, 0.0002061800000000 ] - [ 0.0008583500000000, 0.0006400600000000, 0.0000205400000000 ] - [ 0.0004790600000000, 0.0001427000000000, -0.0001481600000000 ] - [ 0.0013153900000000, -0.0004587000000000, 0.0002673600000000 ] - [ 0.0003790000000000, -0.0002734100000000, -0.0001877200000000 ] - [ -0.0009509400000000, 0.0054173300000000, -0.0023161300000000 ] - [ -0.0006606500000000, -0.0008082100000000, -0.0000937100000000 ] - [ -0.0005002800000000, -0.0030605200000000, 0.0077839100000000 ] - [ 0.0001542800000000, 0.0003231900000000, 0.0000384200000000 ] - [ 0.0009459200000000, 0.0000052900000000, 0.0000657300000000 ] - [ 0.0003025100000000, 0.0003929200000000, 0.0000895900000000 ] - [ 0.0001487000000000, -0.0004915900000000, 0.0007297200000000 ] - [ -0.0001363000000000, -0.0001485900000000, 0.0001151100000000 ] - [ 0.0002453400000000, 0.0001930400000000, -0.0008493700000000 ] - [ -0.0000415900000000, -0.0000489200000000, -0.0003426000000000 ] - [ 0.0012165500000000, -0.0012641700000000, -0.0008318800000000 ] - [ 0.0001287600000000, 0.0004068300000000, 0.0001246900000000 ] - [ 0.0002325400000000, 0.0006559400000000, 0.0008362700000000 ] - [ -0.0001770100000000, 0.0004022500000000, -0.0000441700000000 ] - [ 0.0052159300000000, 0.0012630900000000, 0.0000188500000000 ] - [ -0.0000792700000000, -0.0002943400000000, -0.0000272700000000 ] - [ -0.0002808200000000, -0.0006832300000000, 0.0014157600000000 ] - [ 0.0005604100000000, 0.0002538100000000, -0.0000426400000000 ] - [ 0.0006314000000000, 0.0010758200000000, 0.0007134300000000 ] - [ -0.0000620000000000, 0.0001264000000000, 0.0000496400000000 ] - [ 0.0000279600000000, 0.0001782600000000, -0.0001318200000000 ] - [ 0.0000399600000000, 0.0002760500000000, -0.0002346400000000 ] - [ -0.0012973400000000, -0.0000313700000000, -0.0001730400000000 ] - [ 0.0000675900000000, -0.0002482200000000, -0.0000505600000000 ] - [ -0.0001367400000000, -0.0012444900000000, -0.0003543100000000 ] - [ 0.0001304300000000, 0.0000266300000000, -0.0001422200000000 ] - [ 0.0002286000000000, 0.0004466900000000, 0.0005571600000000 ] - [ 0.0000209300000000, 0.0000819300000000, -0.0002101000000000 ] - [ -0.0011879000000000, 0.0006950000000000, -0.0006096800000000 ] - [ -0.0000778400000000, 0.0001116500000000, 0.0001661300000000 ] - [ -0.0015115400000000, -0.0003975500000000, -0.0003351100000000 ] - [ -0.0000341500000000, -0.0002081800000000, 0.0001218600000000 ] - [ 0.0009832700000000, 0.0010158200000000, -0.0005694900000000 ] - [ 0.0000064300000000, -0.0003214500000000, -0.0000383200000000 ] - [ 0.0014041600000000, -0.0000630900000000, 0.0009545400000000 ] - [ 0.0005668100000000, -0.0001877500000000, -0.0003309700000000 ] - [ -0.0015297300000000, 0.0007888500000000, 0.0010430700000000 ] - [ -0.0006306200000000, -0.0001992200000000, 0.0003646600000000 ] - [ -0.0007302100000000, 0.0004642100000000, -0.0002953000000000 ] - [ -0.0005472800000000, -0.0000413400000000, 0.0003468600000000 ] - [ 0.0017793500000000, -0.0008666200000000, -0.0008397200000000 ] - [ 0.0006335400000000, 0.0000654800000000, -0.0003105400000000 ] - [ 0.0010874100000000, 0.0002905600000000, 0.0003041300000000 ] - [ 0.0001243600000000, -0.0001001700000000, -0.0000796400000000 ] - [ -0.0010116300000000, -0.0007464900000000, 0.0001423100000000 ] - [ 0.0000198800000000, -0.0000559400000000, 0.0000539700000000 ] - [ -0.0004437300000000, -0.0002636600000000, -0.0006448800000000 ] - [ -0.0000897900000000, -0.0000323100000000, 0.0000309800000000 ] - [ 0.0012648400000000, 0.0005406900000000, 0.0001271900000000 ] - [ 0.0001521200000000, -0.0001645200000000, 0.0000213100000000 ] - [ 0.0008228500000000, 0.0002837800000000, -0.0009387200000000 ] - [ 0.0009011600000000, -0.0002860800000000, 0.0001246500000000 ] - [ -0.0014024000000000, -0.0000024600000000, 0.0000663600000000 ] - [ -0.0010884500000000, -0.0002843300000000, -0.0001254700000000 ] - [ -0.0012737500000000, 0.0007496500000000, -0.0010646300000000 ] - [ -0.0009615900000000, 0.0000230500000000, -0.0002706700000000 ] - [ -0.0007710200000000, -0.0008719600000000, 0.0015636300000000 ] - [ 0.0005814600000000, 0.0003574300000000, 0.0005482300000000 ] - [ 0.0409064000000000, 0.0350215000000000, 0.0317365600000000 ] - [ 0.0000653200000000, -0.0003750800000000, -0.0002130500000000 ] - [ -0.0005304900000000, -0.0001260200000000, -0.0000670200000000 ] - [ -0.0002787800000000, -0.0003154900000000, 0.0002488900000000 ] - [ -0.0004264400000000, 0.0000187000000000, -0.0002891800000000 ] - [ -0.0001117000000000, 0.0002730500000000, 0.0002449200000000 ] - [ 0.0001921600000000, 0.0000878200000000, -0.0003194200000000 ] - [ 0.0002326900000000, 0.0000753700000000, -0.0003317000000000 ] - [ 0.0001030400000000, 0.0008563400000000, 0.0006081600000000 ] - [ -0.0005990500000000, 0.0001796500000000, 0.0004078600000000 ] - [ 0.0003537900000000, -0.0003952500000000, -0.0005677500000000 ] - [ 0.0007134700000000, 0.0004795700000000, -0.0002140600000000 ] - [ -0.0000961400000000, -0.0001793200000000, 0.0003659000000000 ] - [ 0.0005614300000000, -0.0003483100000000, -0.0004098500000000 ] - [ 0.0007013100000000, -0.0006833100000000, 0.0009469300000000 ] - [ 0.0000739000000000, -0.0003668600000000, 0.0001224000000000 ] - [ 0.0335963400000000, 0.0294692500000000, 0.0358808100000000 ] - [ -0.0001117000000000, 0.0006714000000000, 0.0004389900000000 ] - [ 0.0000874400000000, 0.0007600600000000, -0.0005111900000000 ] - [ 0.0001012100000000, 0.0005966600000000, -0.0004333100000000 ] - [ -0.0001113300000000, -0.0006394600000000, -0.0010048100000000 ] - [ 0.0001093500000000, -0.0008612400000000, -0.0003374900000000 ] - [ -0.0001560900000000, -0.0011664500000000, 0.0004595100000000 ] - [ -0.0000645400000000, -0.0007582500000000, 0.0003693700000000 ]- atom: 17 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0004487600000000, 0.0001874200000000, 0.0007085300000000 ] - [ 0.0000045700000000, 0.0003475400000000, -0.0000138200000000 ] - [ -0.0003521800000000, 0.0060657300000000, -0.0007311600000000 ] - [ 0.0000551800000000, 0.0001857900000000, 0.0001900800000000 ] - [ -0.0002055400000000, 0.0001304200000000, -0.0001478000000000 ] - [ 0.0000235900000000, -0.0006355800000000, -0.0000615900000000 ] - [ 0.0012805000000000, -0.0051693700000000, 0.0005032100000000 ] - [ 0.0000717000000000, -0.0005943700000000, 0.0003012600000000 ] - [ 0.0023659300000000, 0.0016091700000000, -0.0026056400000000 ] - [ -0.0001886500000000, -0.0004445700000000, 0.0001010800000000 ] - [ 0.0002584300000000, -0.0001917800000000, -0.0003033600000000 ] - [ 0.0002310200000000, -0.0005587300000000, -0.0002656200000000 ] - [ -0.0037851000000000, -0.0002636300000000, 0.0055424700000000 ] - [ 0.0001890500000000, 0.0002658100000000, -0.0000377300000000 ] - [ 0.0000382100000000, -0.0002842400000000, 0.0001126000000000 ] - [ 0.0001557400000000, 0.0004121700000000, 0.0000225000000000 ] - [ 0.0831253700000000, 0.0681381400000000, 0.0736523200000000 ] - [ -0.0000817900000000, -0.0002747100000000, -0.0002747700000000 ] - [ -0.0001032700000000, -0.0001665300000000, 0.0001179400000000 ] - [ -0.0001032800000000, -0.0001564100000000, 0.0003912200000000 ] - [ -0.0036282300000000, -0.0027007900000000, -0.0042653000000000 ] - [ 0.0001079800000000, 0.0000500800000000, 0.0003173900000000 ] - [ 0.0000633200000000, 0.0001991400000000, -0.0002632200000000 ] - [ 0.0001067100000000, -0.0000502400000000, -0.0003766400000000 ] - [ 0.0008555100000000, 0.0003664800000000, 0.0011329500000000 ] - [ -0.0002891200000000, 0.0001399800000000, 0.0001654300000000 ] - [ -0.0002579800000000, 0.0000245900000000, -0.0003939400000000 ] - [ 0.0001137600000000, 0.0005311700000000, -0.0002232700000000 ] - [ -0.0007248200000000, -0.0002160400000000, -0.0006303600000000 ] - [ 0.0002139000000000, -0.0003962400000000, -0.0001827400000000 ] - [ 0.0003537200000000, -0.0061245000000000, 0.0027087400000000 ] - [ 0.0000659500000000, 0.0001361700000000, 0.0004623400000000 ] - [ 0.0008304100000000, 0.0035969500000000, -0.0078876800000000 ] - [ 0.0001613800000000, 0.0001867500000000, -0.0000992900000000 ] - [ -0.0012583900000000, 0.0005009000000000, -0.0000025100000000 ] - [ -0.0006218700000000, 0.0001187700000000, -0.0000279800000000 ] - [ -0.0004624200000000, -0.0000169300000000, -0.0006713400000000 ] - [ -0.0001789000000000, -0.0003616100000000, -0.0000539500000000 ] - [ 0.0000664000000000, -0.0006982400000000, 0.0007927000000000 ] - [ 0.0003539300000000, -0.0004599400000000, 0.0002789200000000 ] - [ -0.0009325500000000, 0.0018358200000000, 0.0010685000000000 ] - [ 0.0001481400000000, 0.0001839000000000, 0.0001213100000000 ] - [ -0.0005091200000000, -0.0000683200000000, -0.0010930000000000 ] - [ -0.0001003200000000, 0.0001877100000000, -0.0002013300000000 ] - [ -0.0054831900000000, -0.0018221900000000, -0.0002404600000000 ] - [ -0.0001976500000000, -0.0002963100000000, -0.0002187300000000 ] - [ 0.0005606900000000, 0.0000921100000000, -0.0011601000000000 ] - [ -0.0002864100000000, -0.0008468700000000, 0.0002906900000000 ] - [ -0.0007700900000000, -0.0006741900000000, -0.0006553600000000 ] - [ -0.0000911300000000, 0.0002691900000000, 0.0000175100000000 ] - [ 0.0001245900000000, 0.0002180100000000, 0.0000639600000000 ] - [ 0.0001126400000000, 0.0001181600000000, 0.0001695300000000 ] - [ 0.0014562800000000, -0.0003678100000000, 0.0001010100000000 ] - [ 0.0000856600000000, -0.0001478000000000, -0.0000164300000000 ] - [ -0.0000166600000000, 0.0008543800000000, 0.0004251400000000 ] - [ -0.0002825700000000, -0.0004192100000000, 0.0002079100000000 ] - [ -0.0002395900000000, -0.0001154700000000, -0.0008662600000000 ] - [ -0.0000335300000000, 0.0002479300000000, -0.0001003700000000 ] - [ 0.0012095900000000, -0.0003749600000000, 0.0009308000000000 ] - [ 0.0000892300000000, 0.0002179000000000, 0.0001450500000000 ] - [ 0.0015443000000000, 0.0000685300000000, 0.0006536600000000 ] - [ 0.0000467400000000, -0.0001215700000000, 0.0001890000000000 ] - [ -0.0009937100000000, -0.0013455500000000, 0.0002469800000000 ] - [ -0.0000190400000000, -0.0000084000000000, -0.0002736400000000 ] - [ -0.0003912800000000, -0.0000670400000000, -0.0016465700000000 ] - [ 0.0004432300000000, 0.0000442400000000, -0.0003458400000000 ] - [ 0.0005275600000000, -0.0009444000000000, -0.0003744600000000 ] - [ -0.0003799500000000, 0.0000569800000000, 0.0003124800000000 ] - [ -0.0002883900000000, -0.0003174600000000, 0.0009732400000000 ] - [ -0.0004630600000000, 0.0001845300000000, 0.0003299400000000 ] - [ -0.0007527500000000, 0.0010022900000000, 0.0001562000000000 ] - [ 0.0003768900000000, 0.0000784600000000, -0.0003667100000000 ] - [ -0.0009365600000000, -0.0002708700000000, -0.0004046100000000 ] - [ 0.0000319100000000, 0.0001226100000000, -0.0000134300000000 ] - [ 0.0008473200000000, 0.0007810900000000, -0.0000420400000000 ] - [ -0.0001765700000000, 0.0000776200000000, 0.0000390200000000 ] - [ 0.0002828100000000, 0.0002361400000000, 0.0007221500000000 ] - [ -0.0000660600000000, 0.0000099100000000, 0.0000616400000000 ] - [ -0.0011180800000000, -0.0005857400000000, -0.0001936400000000 ] - [ 0.0000042800000000, 0.0001415600000000, -0.0001130600000000 ] - [ 0.0008850700000000, -0.0006257100000000, 0.0014259800000000 ] - [ 0.0008152800000000, -0.0000549400000000, 0.0003368000000000 ] - [ -0.0003138900000000, -0.0003349900000000, -0.0005269900000000 ] - [ -0.0006252800000000, -0.0000571800000000, -0.0003377300000000 ] - [ -0.0004427400000000, -0.0004125900000000, 0.0005989700000000 ] - [ -0.0007536800000000, 0.0003185000000000, -0.0001919800000000 ] - [ 0.0025048700000000, 0.0012164500000000, -0.0011201100000000 ] - [ 0.0011341000000000, -0.0000153300000000, -0.0000833900000000 ] - [ -0.0400946800000000, -0.0343335200000000, -0.0308857600000000 ] - [ 0.0000521300000000, -0.0002917200000000, -0.0002417400000000 ] - [ 0.0004107700000000, -0.0005390900000000, 0.0005178200000000 ] - [ 0.0001638000000000, -0.0003532400000000, 0.0002054000000000 ] - [ 0.0002976200000000, 0.0006470300000000, 0.0007465200000000 ] - [ -0.0000052600000000, 0.0003935000000000, 0.0002105500000000 ] - [ -0.0000739000000000, 0.0005787900000000, -0.0001328700000000 ] - [ -0.0001136400000000, 0.0005899400000000, -0.0001250100000000 ] - [ -0.0012626900000000, -0.0002854200000000, 0.0002032300000000 ] - [ -0.0005785100000000, 0.0003819300000000, 0.0004150000000000 ] - [ 0.0008114700000000, 0.0009456600000000, -0.0002580600000000 ] - [ 0.0004618400000000, 0.0000830100000000, -0.0006120600000000 ] - [ 0.0012779700000000, -0.0003828800000000, -0.0012018200000000 ] - [ 0.0006162400000000, -0.0002137900000000, -0.0004132700000000 ] - [ -0.0018917500000000, 0.0001228700000000, -0.0001270700000000 ] - [ -0.0012492600000000, -0.0001931300000000, 0.0007004900000000 ] - [ -0.0339340700000000, -0.0288019400000000, -0.0362215800000000 ] - [ -0.0001178100000000, 0.0008566300000000, 0.0003242100000000 ] - [ 0.0001429400000000, 0.0007701700000000, -0.0002524400000000 ] - [ 0.0001292500000000, 0.0009305400000000, -0.0003310300000000 ] - [ 0.0001052400000000, -0.0008056700000000, 0.0002267100000000 ] - [ 0.0001206300000000, -0.0006673400000000, -0.0004247800000000 ] - [ -0.0000732600000000, -0.0003589900000000, 0.0003006500000000 ] - [ -0.0001643400000000, -0.0007711700000000, 0.0003937300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012172700000000, 0.0003345800000000, -0.0006004400000000 ] - [ -0.0000687700000000, 0.0011457800000000, 0.0000459800000000 ] - [ -0.0026709000000000, 0.0020115700000000, -0.0002185800000000 ] - [ 0.0003332700000000, 0.0013921100000000, 0.0001957900000000 ] - [ 0.0004428100000000, -0.0018035100000000, 0.0004708000000000 ] - [ 0.0000384200000000, 0.0002602800000000, -0.0000230000000000 ] - [ 0.0040311400000000, 0.0109326000000000, 0.0020121800000000 ] - [ -0.0000764300000000, 0.0007941500000000, -0.0002243000000000 ] - [ -0.0024374400000000, -0.0047073100000000, 0.0072384200000000 ] - [ -0.0001577600000000, 0.0002153900000000, -0.0000464000000000 ] - [ -0.0008270000000000, 0.0005279700000000, -0.0013107900000000 ] - [ 0.0003110800000000, 0.0001389100000000, 0.0002115000000000 ] - [ 0.0002724800000000, -0.0015538500000000, 0.0017597400000000 ] - [ 0.0002341000000000, 0.0009022700000000, -0.0001215800000000 ] - [ 0.0003753000000000, 0.0007607900000000, -0.0003565900000000 ] - [ -0.0006309600000000, 0.0008573900000000, 0.0006972000000000 ] - [ -0.0695191300000000, -0.1057626400000000, -0.0828658300000000 ] - [ 0.0000033100000000, 0.0006139100000000, -0.0001679900000000 ] - [ 0.0001149000000000, 0.0003325200000000, 0.0002256600000000 ] - [ 0.0001048700000000, 0.0003295100000000, 0.0003722100000000 ] - [ 0.0029562200000000, -0.0033134100000000, -0.0012493500000000 ] - [ 0.0002225800000000, 0.0007794900000000, 0.0004486400000000 ] - [ -0.0000739200000000, 0.0003635100000000, -0.0004505300000000 ] - [ -0.0003216200000000, 0.0006364100000000, -0.0002681200000000 ] - [ -0.0012984600000000, -0.0009846700000000, 0.0004570900000000 ] - [ -0.0001843800000000, 0.0009971600000000, 0.0001213900000000 ] - [ 0.0003833300000000, 0.0002537200000000, 0.0001435800000000 ] - [ -0.0001059000000000, 0.0009307700000000, -0.0003326000000000 ] - [ 0.0002574300000000, -0.0015420900000000, 0.0002108100000000 ] - [ 0.0004201700000000, 0.0002861300000000, -0.0002446700000000 ] - [ 0.0008713700000000, 0.0080183700000000, 0.0014401200000000 ] - [ -0.0005039000000000, 0.0015077500000000, 0.0003236400000000 ] - [ -0.0010833900000000, -0.0036786600000000, 0.0071256000000000 ] - [ 0.0001627300000000, 0.0008088400000000, -0.0000634300000000 ] - [ -0.0015466800000000, 0.0007292100000000, -0.0000359300000000 ] - [ 0.0000527200000000, 0.0008292000000000, 0.0000852900000000 ] - [ -0.0001042300000000, -0.0008775600000000, 0.0001275300000000 ] - [ -0.0001397800000000, 0.0001985400000000, 0.0000485700000000 ] - [ 0.0013918700000000, 0.0001146500000000, -0.0009761700000000 ] - [ -0.0001614200000000, 0.0002971100000000, 0.0001672200000000 ] - [ -0.0005002500000000, -0.0006888200000000, 0.0002067900000000 ] - [ 0.0001647200000000, 0.0009841700000000, 0.0000977100000000 ] - [ 0.0001692500000000, 0.0001096400000000, 0.0000324900000000 ] - [ -0.0002334300000000, 0.0008229100000000, -0.0001042900000000 ] - [ 0.0044114200000000, -0.0001015900000000, -0.0012581600000000 ] - [ -0.0002507600000000, 0.0005658900000000, -0.0002842100000000 ] - [ -0.0005795400000000, -0.0003352900000000, -0.0030187100000000 ] - [ 0.0003589900000000, 0.0004873400000000, 0.0002345200000000 ] - [ 0.0006275100000000, 0.0015067900000000, 0.0000665100000000 ] - [ -0.0000276000000000, -0.0002109200000000, 0.0000240600000000 ] - [ 0.0000709000000000, 0.0000905500000000, -0.0000594900000000 ] - [ 0.0001566200000000, 0.0001641700000000, 0.0000459800000000 ] - [ -0.0004210500000000, 0.0011419300000000, 0.0001163400000000 ] - [ 0.0001298500000000, -0.0006071000000000, -0.0000226700000000 ] - [ -0.0001995000000000, -0.0007359000000000, -0.0001626700000000 ] - [ -0.0002003000000000, -0.0008506800000000, 0.0005428400000000 ] - [ 0.0003026800000000, 0.0004704600000000, 0.0003272600000000 ] - [ -0.0000414700000000, -0.0001461700000000, -0.0001739000000000 ] - [ 0.0000584300000000, 0.0004294600000000, 0.0004331300000000 ] - [ 0.0000822200000000, -0.0001789500000000, 0.0001310800000000 ] - [ -0.0018395500000000, -0.0003129200000000, -0.0008312700000000 ] - [ 0.0000087300000000, -0.0004990400000000, 0.0001755700000000 ] - [ 0.0000660000000000, -0.0003719700000000, 0.0010692500000000 ] - [ -0.0000691500000000, -0.0007438600000000, -0.0001784700000000 ] - [ -0.0000742700000000, 0.0012050100000000, 0.0009190200000000 ] - [ 0.0004433300000000, -0.0005823300000000, -0.0003015500000000 ] - [ -0.0004824900000000, -0.0001714900000000, 0.0003162600000000 ] - [ -0.0005367000000000, -0.0004559800000000, 0.0002884800000000 ] - [ -0.0008468900000000, 0.0013636900000000, -0.0000470900000000 ] - [ -0.0005927800000000, -0.0003698800000000, 0.0004005700000000 ] - [ 0.0010952300000000, -0.0009479000000000, -0.0010935500000000 ] - [ 0.0004238900000000, -0.0006395800000000, -0.0002216800000000 ] - [ 0.0008669200000000, 0.0004944300000000, -0.0007840800000000 ] - [ -0.0000211900000000, -0.0004901100000000, 0.0000061100000000 ] - [ -0.0010756800000000, 0.0003868400000000, 0.0000832000000000 ] - [ 0.0001004500000000, -0.0005726000000000, 0.0000341200000000 ] - [ -0.0004382300000000, -0.0000673500000000, -0.0009117700000000 ] - [ -0.0001000000000000, -0.0004267200000000, 0.0001148200000000 ] - [ 0.0003801200000000, 0.0024257400000000, -0.0020937300000000 ] - [ 0.0000485500000000, -0.0005615100000000, -0.0001132800000000 ] - [ 0.0012072000000000, 0.0008080800000000, -0.0003879100000000 ] - [ 0.0009105300000000, -0.0006494300000000, 0.0001186300000000 ] - [ -0.0004133400000000, -0.0002331500000000, -0.0007349900000000 ] - [ -0.0009965400000000, -0.0006222800000000, -0.0000035200000000 ] - [ -0.0007860000000000, 0.0017749100000000, 0.0002426100000000 ] - [ -0.0008642500000000, -0.0003218600000000, -0.0003636300000000 ] - [ -0.0001748600000000, -0.0011415300000000, 0.0008276700000000 ] - [ 0.0013464000000000, -0.0006503000000000, 0.0001728400000000 ] - [ 0.0394888800000000, 0.0497212100000000, 0.0378226700000000 ] - [ -0.0000870000000000, -0.0010445000000000, -0.0001357000000000 ] - [ 0.0004315000000000, -0.0002779200000000, 0.0010075900000000 ] - [ -0.0000190500000000, -0.0007766300000000, 0.0001022500000000 ] - [ -0.0005818000000000, 0.0007656100000000, -0.0000253000000000 ] - [ -0.0001743600000000, -0.0001991400000000, 0.0003352700000000 ] - [ -0.0001319800000000, 0.0005729000000000, 0.0001914200000000 ] - [ 0.0002822000000000, -0.0001631700000000, -0.0003691200000000 ] - [ -0.0001823100000000, 0.0014154800000000, -0.0000887100000000 ] - [ -0.0006969300000000, -0.0001911800000000, 0.0004898400000000 ] - [ 0.0003159300000000, -0.0000476700000000, -0.0006329100000000 ] - [ 0.0014243100000000, -0.0006381600000000, -0.0002498800000000 ] - [ 0.0001325100000000, 0.0007868800000000, -0.0007854700000000 ] - [ 0.0004910100000000, -0.0007399000000000, -0.0003614000000000 ] - [ 0.0003183900000000, -0.0015692300000000, 0.0000289200000000 ] - [ -0.0013116300000000, -0.0014773100000000, 0.0006652700000000 ] - [ 0.0242956900000000, 0.0396652200000000, 0.0332010200000000 ] - [ -0.0001889800000000, 0.0001059200000000, 0.0004051500000000 ] - [ 0.0001148900000000, 0.0007507000000000, -0.0000183500000000 ] - [ 0.0001334900000000, 0.0002689000000000, -0.0004230900000000 ] - [ 0.0023347200000000, 0.0023279000000000, 0.0002673600000000 ] - [ 0.0000133500000000, -0.0014396200000000, -0.0004174700000000 ] - [ -0.0003014400000000, -0.0012808700000000, 0.0005107200000000 ] - [ -0.0000508400000000, -0.0011570500000000, 0.0002300000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013083300000000, 0.0005714400000000, 0.0006666700000000 ] - [ -0.0000102600000000, -0.0002443900000000, 0.0000072200000000 ] - [ 0.0027166600000000, -0.0011021900000000, 0.0001681200000000 ] - [ -0.0002580600000000, -0.0004898900000000, -0.0002555000000000 ] - [ -0.0003672600000000, 0.0008962100000000, -0.0005240400000000 ] - [ 0.0000402700000000, -0.0011628300000000, -0.0000297300000000 ] - [ -0.0041893700000000, -0.0119262800000000, -0.0020213100000000 ] - [ -0.0000029500000000, -0.0016916200000000, 0.0002749500000000 ] - [ 0.0020171700000000, 0.0039465800000000, -0.0070691800000000 ] - [ -0.0002236300000000, -0.0009482500000000, 0.0001703100000000 ] - [ 0.0012007900000000, -0.0012567200000000, 0.0011717200000000 ] - [ 0.0000671800000000, -0.0008694600000000, -0.0003358700000000 ] - [ 0.0001184700000000, 0.0022839700000000, -0.0018867900000000 ] - [ 0.0001466600000000, -0.0001698900000000, -0.0000026100000000 ] - [ -0.0007614000000000, -0.0000262100000000, 0.0004849400000000 ] - [ 0.0002472800000000, -0.0001254500000000, -0.0005650900000000 ] - [ 0.0685981700000000, 0.1052316200000000, 0.0822776800000000 ] - [ -0.0002549400000000, -0.0009075100000000, -0.0004862000000000 ] - [ 0.0001363900000000, -0.0006234800000000, 0.0004319000000000 ] - [ 0.0001449600000000, -0.0006264600000000, 0.0002817700000000 ] - [ -0.0026707800000000, 0.0035933500000000, 0.0018978600000000 ] - [ 0.0000280500000000, -0.0004868700000000, 0.0002039600000000 ] - [ -0.0001762600000000, -0.0000736300000000, -0.0002045600000000 ] - [ 0.0000708300000000, -0.0003437300000000, -0.0003830500000000 ] - [ 0.0007093100000000, 0.0016491000000000, -0.0000897400000000 ] - [ -0.0004084700000000, -0.0003268200000000, 0.0002501100000000 ] - [ 0.0002142900000000, 0.0004210300000000, -0.0005171700000000 ] - [ 0.0006954400000000, -0.0002604300000000, -0.0000405700000000 ] - [ 0.0003379200000000, 0.0008747700000000, -0.0005804900000000 ] - [ 0.0001724400000000, -0.0009575300000000, -0.0001260100000000 ] - [ -0.0014285100000000, -0.0085994200000000, -0.0010276900000000 ] - [ -0.0000880200000000, -0.0021932800000000, 0.0000455800000000 ] - [ 0.0014198200000000, 0.0042195300000000, -0.0072295300000000 ] - [ 0.0001532300000000, -0.0002998900000000, 0.0000038000000000 ] - [ 0.0012451300000000, -0.0002212700000000, 0.0000978100000000 ] - [ -0.0003679800000000, -0.0003195700000000, -0.0000224500000000 ] - [ -0.0002107200000000, 0.0003695000000000, -0.0000616600000000 ] - [ -0.0001755300000000, -0.0007095600000000, 0.0000121400000000 ] - [ -0.0010644200000000, -0.0006235900000000, 0.0009122500000000 ] - [ 0.0004770800000000, -0.0008066000000000, -0.0002333400000000 ] - [ 0.0007822900000000, 0.0012866700000000, 0.0000339000000000 ] - [ 0.0001132900000000, -0.0003946600000000, 0.0001483200000000 ] - [ -0.0004464700000000, 0.0004703600000000, -0.0002845700000000 ] - [ -0.0000430900000000, -0.0002322200000000, -0.0001416500000000 ] - [ -0.0047108200000000, -0.0005053000000000, 0.0010384600000000 ] - [ -0.0000254000000000, -0.0011582600000000, 0.0000396000000000 ] - [ 0.0008646900000000, -0.0002548600000000, 0.0032967000000000 ] - [ -0.0000837900000000, -0.0010810800000000, 0.0000150700000000 ] - [ -0.0007810900000000, -0.0011122400000000, 0.0000058700000000 ] - [ -0.0001258000000000, 0.0006066700000000, 0.0000432100000000 ] - [ 0.0000813800000000, 0.0003033400000000, -0.0000085400000000 ] - [ -0.0000021200000000, 0.0002332300000000, -0.0001108600000000 ] - [ 0.0005805400000000, -0.0015472000000000, -0.0001854100000000 ] - [ 0.0000232400000000, 0.0002109400000000, -0.0000449300000000 ] - [ 0.0000458700000000, 0.0003478000000000, 0.0002309300000000 ] - [ 0.0000473500000000, 0.0004570300000000, -0.0004802500000000 ] - [ -0.0003169600000000, -0.0001441600000000, -0.0006417400000000 ] - [ 0.0000286900000000, 0.0004766600000000, -0.0001355300000000 ] - [ -0.0000453800000000, -0.0000968200000000, -0.0001203000000000 ] - [ -0.0000710900000000, 0.0005078500000000, 0.0001805300000000 ] - [ 0.0018712700000000, -0.0000141700000000, 0.0011524200000000 ] - [ 0.0000033200000000, 0.0001688700000000, 0.0001345400000000 ] - [ 0.0000065600000000, -0.0000357100000000, -0.0013529400000000 ] - [ 0.0000544900000000, 0.0004130000000000, -0.0001347600000000 ] - [ 0.0011039800000000, -0.0013470000000000, -0.0016035300000000 ] - [ 0.0005670000000000, 0.0004386500000000, -0.0003762200000000 ] - [ -0.0005259400000000, 0.0000294400000000, 0.0003594300000000 ] - [ -0.0004729200000000, 0.0003120100000000, 0.0003883900000000 ] - [ -0.0001664400000000, -0.0012139100000000, 0.0007227200000000 ] - [ -0.0004173600000000, 0.0005129200000000, 0.0002764900000000 ] - [ -0.0000764000000000, 0.0010848100000000, 0.0004205800000000 ] - [ 0.0005838900000000, 0.0007802500000000, -0.0004534900000000 ] - [ -0.0007145300000000, -0.0004695500000000, 0.0006886400000000 ] - [ 0.0001777700000000, 0.0005129900000000, -0.0000998700000000 ] - [ 0.0009187000000000, -0.0003681700000000, 0.0000160800000000 ] - [ -0.0002540500000000, 0.0005931800000000, 0.0000583900000000 ] - [ 0.0002777700000000, 0.0000359400000000, 0.0009913400000000 ] - [ -0.0000555300000000, 0.0004044300000000, -0.0000212400000000 ] - [ -0.0002387500000000, -0.0023704200000000, 0.0018586000000000 ] - [ 0.0001081100000000, 0.0005387900000000, 0.0000226900000000 ] - [ 0.0005028900000000, -0.0011519800000000, 0.0008789400000000 ] - [ 0.0008054100000000, 0.0003084300000000, 0.0003424800000000 ] - [ -0.0013070500000000, -0.0001098200000000, 0.0002769700000000 ] - [ -0.0007193900000000, 0.0002816600000000, -0.0004585900000000 ] - [ -0.0009347400000000, -0.0014415500000000, -0.0007124200000000 ] - [ -0.0008516500000000, 0.0006636100000000, -0.0000994500000000 ] - [ 0.0018732400000000, 0.0014972600000000, -0.0003820100000000 ] - [ 0.0003634600000000, 0.0009958200000000, 0.0002933700000000 ] - [ -0.0377750100000000, -0.0494597500000000, -0.0366129500000000 ] - [ 0.0002041000000000, 0.0003794200000000, -0.0003203400000000 ] - [ -0.0005536800000000, -0.0003905700000000, -0.0005589300000000 ] - [ -0.0000983900000000, 0.0001106200000000, 0.0003508500000000 ] - [ 0.0004542000000000, -0.0001051900000000, 0.0004780600000000 ] - [ 0.0000575500000000, 0.0008656900000000, 0.0001209400000000 ] - [ 0.0002457300000000, 0.0000988000000000, -0.0006414300000000 ] - [ -0.0001644700000000, 0.0008284300000000, -0.0000875800000000 ] - [ -0.0009813700000000, -0.0008451600000000, 0.0008959000000000 ] - [ -0.0004806500000000, 0.0007526300000000, 0.0003333400000000 ] - [ 0.0008562900000000, 0.0005975100000000, -0.0001916400000000 ] - [ -0.0002395800000000, 0.0011949000000000, -0.0005695300000000 ] - [ 0.0010475800000000, -0.0013532800000000, -0.0000396000000000 ] - [ 0.0006868800000000, 0.0001781300000000, -0.0004620800000000 ] - [ -0.0014870500000000, 0.0009985600000000, 0.0007867400000000 ] - [ 0.0001457500000000, 0.0009254100000000, 0.0001519600000000 ] - [ -0.0255186000000000, -0.0387731600000000, -0.0340404000000000 ] - [ -0.0000405400000000, 0.0014213900000000, 0.0003583800000000 ] - [ 0.0001156300000000, 0.0007832600000000, -0.0007388000000000 ] - [ 0.0000976300000000, 0.0012571300000000, -0.0003403100000000 ] - [ -0.0020732000000000, -0.0038499800000000, -0.0010413700000000 ] - [ 0.0002173800000000, -0.0000882500000000, -0.0003449400000000 ] - [ 0.0000730000000000, -0.0002446200000000, 0.0002494800000000 ] - [ -0.0001782600000000, -0.0003697300000000, 0.0005317100000000 ]- atom: 17 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0025761200000000, -0.0001072500000000, 0.0034872100000000 ] - [ -0.0000559100000000, 0.0005689400000000, 0.0000908300000000 ] - [ 0.0013512300000000, 0.0015101700000000, -0.0013059100000000 ] - [ 0.0000474000000000, 0.0006840600000000, -0.0004158700000000 ] - [ 0.0001394200000000, -0.0005470400000000, 0.0012246800000000 ] - [ 0.0000143200000000, -0.0004048300000000, 0.0000358900000000 ] - [ 0.0001149300000000, 0.0068063600000000, -0.0022495900000000 ] - [ -0.0000692500000000, -0.0005393900000000, -0.0004106800000000 ] - [ 0.0004479800000000, 0.0014618500000000, 0.0160027600000000 ] - [ -0.0001724900000000, -0.0003540800000000, 0.0000905600000000 ] - [ 0.0010061800000000, -0.0013155000000000, 0.0009424300000000 ] - [ 0.0001839500000000, -0.0000426100000000, 0.0004280100000000 ] - [ -0.0034444100000000, 0.0007865600000000, 0.0008851700000000 ] - [ 0.0001869500000000, 0.0003921800000000, -0.0001392200000000 ] - [ -0.0005112600000000, -0.0008540300000000, -0.0007138300000000 ] - [ -0.0002450500000000, 0.0007134100000000, 0.0000652400000000 ] - [ -0.0439410100000000, -0.0559199900000000, -0.0991753500000000 ] - [ -0.0001612900000000, -0.0000373100000000, -0.0004006900000000 ] - [ -0.0000076800000000, -0.0001956900000000, 0.0005373700000000 ] - [ 0.0002513500000000, -0.0000522900000000, 0.0006239900000000 ] - [ 0.0032407000000000, -0.0022581300000000, -0.0012806300000000 ] - [ 0.0001287400000000, 0.0002311100000000, 0.0003161000000000 ] - [ -0.0001224000000000, 0.0002814900000000, 0.0000996500000000 ] - [ 0.0000036700000000, 0.0000262500000000, 0.0005641200000000 ] - [ -0.0010375700000000, -0.0000986800000000, 0.0021382200000000 ] - [ -0.0002909800000000, 0.0004408400000000, 0.0002696100000000 ] - [ 0.0006208200000000, 0.0003025800000000, -0.0001607100000000 ] - [ 0.0006216700000000, 0.0002724100000000, -0.0001834000000000 ] - [ 0.0003983600000000, -0.0009460600000000, -0.0000738400000000 ] - [ 0.0003332900000000, -0.0002324200000000, -0.0001454300000000 ] - [ -0.0006576900000000, 0.0025484500000000, -0.0028753200000000 ] - [ -0.0003734600000000, -0.0002177500000000, -0.0000853400000000 ] - [ 0.0049381100000000, 0.0047121100000000, 0.0098052900000000 ] - [ 0.0001719100000000, 0.0002800300000000, -0.0000139300000000 ] - [ -0.0000742600000000, 0.0002781800000000, -0.0003285700000000 ] - [ -0.0000723200000000, 0.0005967900000000, -0.0000558200000000 ] - [ 0.0000580900000000, -0.0002127900000000, 0.0009604400000000 ] - [ -0.0001472600000000, -0.0001999500000000, 0.0001168400000000 ] - [ -0.0007333400000000, -0.0008659800000000, -0.0007101700000000 ] - [ -0.0001170800000000, 0.0001546400000000, -0.0001042100000000 ] - [ -0.0010152700000000, 0.0019214300000000, 0.0008411800000000 ] - [ 0.0000437100000000, 0.0003859900000000, 0.0000779600000000 ] - [ 0.0000240100000000, 0.0005097900000000, 0.0001853800000000 ] - [ -0.0001551900000000, 0.0003695600000000, 0.0000054200000000 ] - [ 0.0025450400000000, 0.0003778500000000, -0.0020697700000000 ] - [ -0.0001699100000000, -0.0001985700000000, -0.0001807600000000 ] - [ 0.0013236200000000, -0.0012631600000000, -0.0000262000000000 ] - [ 0.0002341000000000, 0.0000113900000000, 0.0001054300000000 ] - [ -0.0004506600000000, -0.0004046700000000, 0.0000583200000000 ] - [ -0.0000669200000000, 0.0001589500000000, 0.0000377100000000 ] - [ 0.0000288000000000, 0.0002113500000000, -0.0002093400000000 ] - [ -0.0000264100000000, 0.0001750700000000, -0.0001796600000000 ] - [ -0.0002683500000000, 0.0004127500000000, 0.0004826800000000 ] - [ 0.0000750300000000, -0.0002428900000000, -0.0000154400000000 ] - [ -0.0000644400000000, -0.0004520300000000, -0.0001197700000000 ] - [ -0.0001715200000000, 0.0000089200000000, 0.0001461900000000 ] - [ -0.0001434600000000, 0.0000455600000000, -0.0016371000000000 ] - [ 0.0000114600000000, 0.0001340800000000, -0.0002018600000000 ] - [ 0.0002242300000000, 0.0001895500000000, 0.0003700700000000 ] - [ -0.0000749900000000, 0.0000450200000000, 0.0001259100000000 ] - [ -0.0002632300000000, -0.0003338400000000, -0.0004502800000000 ] - [ 0.0000051100000000, -0.0001702900000000, 0.0001683700000000 ] - [ 0.0002349300000000, 0.0005232900000000, 0.0012792300000000 ] - [ 0.0000253000000000, -0.0002937900000000, -0.0000680900000000 ] - [ 0.0017728400000000, 0.0003346700000000, -0.0014371200000000 ] - [ 0.0005135000000000, -0.0001457800000000, -0.0003161700000000 ] - [ -0.0003423100000000, -0.0004255300000000, 0.0001824900000000 ] - [ -0.0004998600000000, -0.0000389900000000, 0.0004575300000000 ] - [ -0.0010147800000000, 0.0003229800000000, -0.0002021400000000 ] - [ -0.0005075900000000, 0.0000073800000000, 0.0002961500000000 ] - [ 0.0015629200000000, -0.0011602000000000, -0.0013353400000000 ] - [ 0.0006880000000000, 0.0003625800000000, -0.0003530500000000 ] - [ 0.0006159900000000, -0.0003629500000000, -0.0010284000000000 ] - [ 0.0000756900000000, 0.0001080000000000, -0.0000707500000000 ] - [ -0.0010210200000000, 0.0004003100000000, 0.0012534700000000 ] - [ -0.0000546500000000, -0.0000377800000000, 0.0001604000000000 ] - [ -0.0003137600000000, -0.0000855200000000, -0.0006627600000000 ] - [ -0.0000792100000000, 0.0000026800000000, -0.0000485100000000 ] - [ -0.0003973200000000, -0.0011913800000000, 0.0026607700000000 ] - [ 0.0001171900000000, -0.0001588200000000, 0.0000294700000000 ] - [ 0.0007031000000000, -0.0007079400000000, -0.0008454300000000 ] - [ 0.0008822500000000, -0.0002574300000000, 0.0001234600000000 ] - [ -0.0007064300000000, -0.0003135900000000, -0.0002249600000000 ] - [ -0.0009489700000000, -0.0003277300000000, 0.0000025900000000 ] - [ -0.0015438700000000, 0.0005205000000000, -0.0008183400000000 ] - [ -0.0008707400000000, 0.0000657700000000, -0.0002940700000000 ] - [ 0.0004997300000000, -0.0011859200000000, 0.0021390900000000 ] - [ 0.0008552500000000, 0.0000831600000000, 0.0004658100000000 ] - [ 0.0215638800000000, 0.0244655200000000, 0.0387751800000000 ] - [ 0.0000539900000000, -0.0004197500000000, -0.0001377000000000 ] - [ -0.0001676100000000, -0.0001631000000000, 0.0003777900000000 ] - [ -0.0000712500000000, -0.0005145900000000, 0.0001267800000000 ] - [ -0.0004568900000000, 0.0002396300000000, -0.0001521000000000 ] - [ -0.0000983700000000, 0.0003107300000000, 0.0002131000000000 ] - [ 0.0002505500000000, 0.0004717000000000, -0.0007251600000000 ] - [ 0.0001981200000000, 0.0000910500000000, -0.0005077000000000 ] - [ 0.0000215700000000, 0.0002368900000000, -0.0027313000000000 ] - [ -0.0005864500000000, 0.0002462800000000, 0.0003544500000000 ] - [ -0.0000537200000000, -0.0006753700000000, -0.0006132400000000 ] - [ -0.0000781700000000, 0.0009027900000000, -0.0002492900000000 ] - [ 0.0013854000000000, -0.0002752200000000, -0.0010525800000000 ] - [ 0.0005884000000000, -0.0003237900000000, -0.0004204500000000 ] - [ -0.0005074400000000, -0.0007000900000000, 0.0011780700000000 ] - [ -0.0005708400000000, -0.0001925800000000, 0.0006268500000000 ] - [ 0.0152046000000000, 0.0206923200000000, 0.0372047800000000 ] - [ -0.0001198300000000, 0.0007494700000000, 0.0004561800000000 ] - [ 0.0000988400000000, 0.0007536100000000, -0.0012378100000000 ] - [ 0.0002406800000000, 0.0007730700000000, -0.0006957400000000 ] - [ 0.0015173800000000, -0.0011579900000000, 0.0027745400000000 ] - [ 0.0000981700000000, -0.0008306200000000, -0.0002852100000000 ] - [ 0.0002013000000000, 0.0006906500000000, -0.0002928400000000 ] - [ -0.0000514800000000, -0.0009470200000000, 0.0002977300000000 ]- atom: 17 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0024630800000000, 0.0009951800000000, -0.0034078300000000 ] - [ -0.0000226100000000, 0.0003347700000000, -0.0000378100000000 ] - [ -0.0012730400000000, -0.0006065800000000, 0.0012614800000000 ] - [ 0.0000317200000000, 0.0002216500000000, 0.0003587100000000 ] - [ -0.0000714600000000, -0.0003509300000000, -0.0012812300000000 ] - [ 0.0000639000000000, -0.0004982300000000, -0.0000884300000000 ] - [ -0.0001982500000000, -0.0076411000000000, 0.0022917900000000 ] - [ -0.0000090600000000, -0.0003626100000000, 0.0004682100000000 ] - [ -0.0009019900000000, -0.0022873400000000, -0.0160304100000000 ] - [ -0.0002088100000000, -0.0003780300000000, 0.0000354300000000 ] - [ -0.0006313600000000, 0.0005898500000000, -0.0010730900000000 ] - [ 0.0001945300000000, -0.0006882200000000, -0.0005472600000000 ] - [ 0.0037828000000000, -0.0000411600000000, -0.0010143600000000 ] - [ 0.0001938100000000, 0.0003404100000000, 0.0000137100000000 ] - [ 0.0001284600000000, 0.0015731400000000, 0.0008267000000000 ] - [ -0.0001339000000000, 0.0000208500000000, 0.0000567200000000 ] - [ 0.0437422100000000, 0.0559436300000000, 0.0993415000000000 ] - [ -0.0000896900000000, -0.0002555400000000, -0.0002531100000000 ] - [ 0.0002558900000000, -0.0000971800000000, 0.0001173900000000 ] - [ -0.0000033600000000, -0.0002407000000000, 0.0000278400000000 ] - [ -0.0029564700000000, 0.0025330600000000, 0.0019355600000000 ] - [ 0.0001223800000000, 0.0000621200000000, 0.0003379300000000 ] - [ -0.0001286300000000, 0.0000155200000000, -0.0007539500000000 ] - [ -0.0002544000000000, 0.0002613100000000, -0.0012085900000000 ] - [ 0.0004511000000000, 0.0007758900000000, -0.0017773800000000 ] - [ -0.0003017000000000, 0.0002299200000000, 0.0001023800000000 ] - [ -0.0000203900000000, 0.0003655800000000, -0.0002101500000000 ] - [ -0.0000318000000000, 0.0003998500000000, -0.0001872900000000 ] - [ 0.0001902100000000, 0.0002722100000000, -0.0003011700000000 ] - [ 0.0002591400000000, -0.0004376900000000, -0.0002256600000000 ] - [ 0.0000715900000000, -0.0032753600000000, 0.0032789500000000 ] - [ -0.0002208900000000, -0.0004492600000000, 0.0004540400000000 ] - [ -0.0045241200000000, -0.0041286900000000, -0.0098265600000000 ] - [ 0.0001438900000000, 0.0002299100000000, -0.0000472300000000 ] - [ -0.0002435500000000, 0.0002339700000000, 0.0003915700000000 ] - [ -0.0002468300000000, -0.0000895300000000, 0.0001172100000000 ] - [ -0.0003692800000000, -0.0002986600000000, -0.0008955900000000 ] - [ -0.0001680800000000, -0.0003101800000000, -0.0000554900000000 ] - [ 0.0010528300000000, 0.0003619700000000, 0.0006628700000000 ] - [ 0.0004298400000000, -0.0006632200000000, 0.0000432400000000 ] - [ 0.0013040300000000, -0.0013514400000000, -0.0005930700000000 ] - [ 0.0002338600000000, 0.0002041300000000, 0.0001695100000000 ] - [ -0.0002992000000000, 0.0000819900000000, -0.0004338900000000 ] - [ -0.0001220800000000, 0.0002201400000000, -0.0002505300000000 ] - [ -0.0028733500000000, -0.0009757200000000, 0.0018486700000000 ] - [ -0.0001074700000000, -0.0003908800000000, -0.0000662000000000 ] - [ -0.0010282400000000, 0.0006650900000000, 0.0002674900000000 ] - [ 0.0000407100000000, -0.0006041900000000, 0.0001415100000000 ] - [ 0.0003546000000000, 0.0008210600000000, -0.0000157100000000 ] - [ -0.0000863900000000, 0.0002363400000000, 0.0000291800000000 ] - [ 0.0001234200000000, 0.0001851000000000, 0.0001407400000000 ] - [ 0.0001801900000000, 0.0002197800000000, 0.0001139400000000 ] - [ 0.0004315700000000, -0.0008168500000000, -0.0005513900000000 ] - [ 0.0000780700000000, -0.0001529800000000, -0.0000511900000000 ] - [ -0.0000897800000000, 0.0000623900000000, 0.0001923700000000 ] - [ 0.0000168200000000, -0.0004025900000000, -0.0000773000000000 ] - [ 0.0001258700000000, 0.0002883000000000, 0.0013174100000000 ] - [ -0.0000246200000000, 0.0001956400000000, -0.0001081300000000 ] - [ -0.0002089600000000, 0.0001386500000000, -0.0000590500000000 ] - [ 0.0000859800000000, 0.0002841500000000, 0.0001848300000000 ] - [ 0.0002948000000000, 0.0000055900000000, 0.0007770400000000 ] - [ 0.0000075400000000, -0.0001594700000000, 0.0001430900000000 ] - [ -0.0002524700000000, -0.0008368300000000, -0.0015788400000000 ] - [ -0.0000383700000000, -0.0000346000000000, -0.0002430500000000 ] - [ -0.0008029100000000, -0.0005540200000000, 0.0008346900000000 ] - [ 0.0004959300000000, 0.0000021100000000, -0.0003601300000000 ] - [ -0.0006648600000000, 0.0002795900000000, 0.0004935200000000 ] - [ -0.0005099200000000, -0.0001041800000000, 0.0002209000000000 ] - [ 0.0000051400000000, -0.0001760800000000, 0.0008795000000000 ] - [ -0.0005024500000000, 0.0001359800000000, 0.0003804500000000 ] - [ -0.0005328300000000, 0.0012967800000000, 0.0006455600000000 ] - [ 0.0003209500000000, -0.0002208400000000, -0.0003249800000000 ] - [ -0.0004579700000000, 0.0003772300000000, 0.0009336900000000 ] - [ 0.0000800000000000, -0.0000839600000000, -0.0000217800000000 ] - [ 0.0008609800000000, -0.0003738400000000, -0.0011499200000000 ] - [ -0.0001017300000000, 0.0000597500000000, -0.0000681700000000 ] - [ 0.0001570100000000, 0.0000609300000000, 0.0007422000000000 ] - [ -0.0000764100000000, -0.0000259000000000, 0.0001417300000000 ] - [ 0.0005570200000000, 0.0012629100000000, -0.0027907900000000 ] - [ 0.0000391300000000, 0.0001356300000000, -0.0001216900000000 ] - [ 0.0009994600000000, 0.0003597600000000, 0.0013206600000000 ] - [ 0.0008336800000000, -0.0000836800000000, 0.0003379300000000 ] - [ -0.0010104700000000, -0.0000244700000000, -0.0002396200000000 ] - [ -0.0007653300000000, -0.0000118400000000, -0.0004673000000000 ] - [ -0.0001795800000000, -0.0001818100000000, 0.0003588900000000 ] - [ -0.0008449900000000, 0.0002758100000000, -0.0001682200000000 ] - [ 0.0012288800000000, 0.0015456300000000, -0.0017052100000000 ] - [ 0.0008611700000000, 0.0002565900000000, -0.0000015900000000 ] - [ -0.0205831200000000, -0.0243911800000000, -0.0391084100000000 ] - [ 0.0000629300000000, -0.0002481100000000, -0.0003160400000000 ] - [ 0.0000504500000000, -0.0005044000000000, 0.0000803900000000 ] - [ -0.0000443500000000, -0.0001527600000000, 0.0003295700000000 ] - [ 0.0003259300000000, 0.0004253900000000, 0.0006011400000000 ] - [ -0.0000183600000000, 0.0003561800000000, 0.0002421100000000 ] - [ -0.0001348700000000, 0.0001924200000000, 0.0002698000000000 ] - [ -0.0000797300000000, 0.0005749400000000, 0.0000494700000000 ] - [ -0.0011852900000000, 0.0003316400000000, 0.0035601400000000 ] - [ -0.0005912600000000, 0.0003153200000000, 0.0004686100000000 ] - [ 0.0012194100000000, 0.0012244500000000, -0.0002144900000000 ] - [ 0.0012603200000000, -0.0003461200000000, -0.0005770300000000 ] - [ -0.0001917900000000, -0.0002895800000000, 0.0002290200000000 ] - [ 0.0005893400000000, -0.0002381800000000, -0.0004023300000000 ] - [ -0.0006778300000000, 0.0001448700000000, -0.0003600200000000 ] - [ -0.0006076500000000, -0.0003729300000000, 0.0002024500000000 ] - [ -0.0163921600000000, -0.0202118600000000, -0.0373627700000000 ] - [ -0.0001098400000000, 0.0007781600000000, 0.0003063200000000 ] - [ 0.0001337100000000, 0.0007743800000000, 0.0004803500000000 ] - [ -0.0000088000000000, 0.0007558600000000, -0.0000694300000000 ] - [ -0.0012480200000000, -0.0003851000000000, -0.0035198400000000 ] - [ 0.0001315600000000, -0.0006984500000000, -0.0004767700000000 ] - [ -0.0004274600000000, -0.0022026600000000, 0.0010524900000000 ] - [ -0.0001773000000000, -0.0005837300000000, 0.0004668900000000 ]- atom: 25 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ -0.0000232400000000, 0.0100395900000000, 0.0086815800000000 ] - [ -0.0000732600000000, 0.0003602600000000, 0.0000007800000000 ] - [ 0.0008702400000000, 0.0001495700000000, 0.0002614400000000 ] - [ 0.0000622400000000, 0.0006057400000000, -0.0000484600000000 ] - [ 0.0089711400000000, -0.0051676300000000, 0.0048952300000000 ] - [ 0.0000646800000000, -0.0002078000000000, -0.0000127400000000 ] - [ 0.0000102300000000, 0.0001916100000000, -0.0002733700000000 ] - [ -0.0000373800000000, -0.0004336400000000, 0.0001087500000000 ] - [ 0.0070142700000000, 0.0031732100000000, -0.0089662700000000 ] - [ -0.0001797600000000, -0.0002892200000000, 0.0000303600000000 ] - [ 0.0009404800000000, -0.0008756900000000, -0.0004663400000000 ] - [ 0.0003003800000000, 0.0000147100000000, -0.0002009300000000 ] - [ -0.0001981800000000, 0.0003891200000000, 0.0015024200000000 ] - [ 0.0001910200000000, 0.0004422800000000, -0.0000473000000000 ] - [ -0.0003328200000000, 0.0003726300000000, 0.0003678500000000 ] - [ -0.0003838000000000, -0.0000872900000000, 0.0002899700000000 ] - [ -0.0012785600000000, -0.0011517900000000, -0.0015169500000000 ] - [ -0.0001332100000000, -0.0000341800000000, -0.0003245500000000 ] - [ 0.0003106600000000, 0.0002522600000000, 0.0007348400000000 ] - [ 0.0006856600000000, -0.0002266600000000, 0.0008526100000000 ] - [ 0.0011468100000000, 0.0001037900000000, 0.0007854800000000 ] - [ 0.0002083800000000, 0.0002702600000000, 0.0003938500000000 ] - [ -0.0007597100000000, -0.0010002900000000, -0.0009077100000000 ] - [ -0.0004854500000000, 0.0003562400000000, -0.0005278800000000 ] - [ -0.1837760600000000, -0.0525321200000000, 0.0239639000000000 ] - [ -0.0003267000000000, 0.0004697800000000, 0.0001678800000000 ] - [ 0.0004399800000000, -0.0000534400000000, -0.0000085600000000 ] - [ 0.0004431600000000, 0.0006565800000000, 0.0003728200000000 ] - [ 0.0027684300000000, -0.0001949900000000, -0.0000224800000000 ] - [ 0.0004133100000000, -0.0002382300000000, -0.0002069100000000 ] - [ -0.0007292500000000, -0.0001628700000000, -0.0004914400000000 ] - [ -0.0003642700000000, -0.0002250800000000, 0.0000904000000000 ] - [ 0.0024217300000000, -0.0021546600000000, -0.0142167500000000 ] - [ 0.0001294100000000, 0.0003458400000000, -0.0000229600000000 ] - [ -0.0001708500000000, 0.0002969300000000, 0.0001366900000000 ] - [ -0.0000368300000000, 0.0003128400000000, 0.0001228800000000 ] - [ 0.0044752100000000, -0.0051313100000000, 0.0011113100000000 ] - [ -0.0001517200000000, -0.0000133000000000, 0.0000314600000000 ] - [ -0.0001885700000000, 0.0003163400000000, 0.0001065300000000 ] - [ -0.0000511900000000, -0.0000959300000000, -0.0000788500000000 ] - [ -0.0004284200000000, -0.0001425800000000, 0.0008040600000000 ] - [ 0.0000792300000000, 0.0004453200000000, 0.0000974900000000 ] - [ 0.0094059900000000, 0.0131898300000000, 0.0060296200000000 ] - [ -0.0001837000000000, 0.0004055200000000, -0.0001061800000000 ] - [ 0.0002104200000000, -0.0005343500000000, -0.0006262100000000 ] - [ -0.0001340800000000, -0.0001749100000000, -0.0001150700000000 ] - [ -0.0001974500000000, -0.0010328500000000, -0.0005341600000000 ] - [ 0.0004409100000000, 0.0001821500000000, -0.0001160900000000 ] - [ 0.0004807400000000, 0.0011884500000000, -0.0030843400000000 ] - [ -0.0000543900000000, 0.0001168000000000, 0.0000395100000000 ] - [ 0.0000442000000000, 0.0001264700000000, -0.0000523700000000 ] - [ -0.0000788100000000, -0.0001086000000000, -0.0008482600000000 ] - [ -0.0003178800000000, 0.0000931700000000, -0.0002226400000000 ] - [ 0.0000757100000000, -0.0002623300000000, -0.0000396100000000 ] - [ -0.0000625400000000, -0.0010017700000000, 0.0005017700000000 ] - [ 0.0000243900000000, -0.0001734700000000, 0.0001324100000000 ] - [ 0.0024005800000000, -0.0001419100000000, 0.0004219000000000 ] - [ 0.0001291700000000, 0.0001224600000000, -0.0001407200000000 ] - [ -0.0006867400000000, -0.0002308800000000, -0.0015436900000000 ] - [ 0.0000073200000000, 0.0001102800000000, 0.0001599600000000 ] - [ -0.0021484000000000, -0.0002941500000000, 0.0007249400000000 ] - [ -0.0000340000000000, -0.0002384000000000, 0.0001347900000000 ] - [ 0.0002358700000000, -0.0001322300000000, 0.0001050000000000 ] - [ 0.0000370600000000, -0.0002807200000000, 0.0000308500000000 ] - [ 0.0024106300000000, 0.0006059100000000, -0.0006884100000000 ] - [ 0.0006099000000000, -0.0001282300000000, -0.0003513500000000 ] - [ -0.0008580000000000, -0.0000028700000000, 0.0000293600000000 ] - [ -0.0005612300000000, -0.0001313800000000, 0.0002978600000000 ] - [ -0.0036798300000000, 0.0008087900000000, 0.0003477100000000 ] - [ -0.0005804900000000, -0.0000424100000000, 0.0003714900000000 ] - [ 0.0008812200000000, -0.0005994300000000, -0.0001900000000000 ] - [ 0.0006489900000000, 0.0000331900000000, -0.0003603700000000 ] - [ 0.0019541800000000, -0.0008098800000000, 0.0018274000000000 ] - [ 0.0001193400000000, -0.0001304100000000, -0.0000644600000000 ] - [ -0.0002569200000000, -0.0000270100000000, -0.0000800000000000 ] - [ -0.0001190300000000, -0.0000084800000000, -0.0000109100000000 ] - [ -0.0025810700000000, -0.0014695800000000, -0.0006605100000000 ] - [ -0.0003088200000000, 0.0000086600000000, 0.0001387000000000 ] - [ -0.0000483400000000, 0.0006867900000000, 0.0010032600000000 ] - [ 0.0000709500000000, -0.0001356200000000, 0.0000024900000000 ] - [ 0.0794548300000000, 0.0014644200000000, -0.0198559100000000 ] - [ 0.0009152800000000, -0.0002925100000000, 0.0001994100000000 ] - [ -0.0007235300000000, -0.0000954300000000, -0.0003798400000000 ] - [ -0.0006961600000000, -0.0002636600000000, -0.0003583000000000 ] - [ -0.0025511200000000, 0.0022284800000000, 0.0010156500000000 ] - [ -0.0009191800000000, 0.0000667200000000, -0.0001898900000000 ] - [ 0.0009283600000000, -0.0000633000000000, 0.0003270300000000 ] - [ 0.0008770400000000, 0.0000995800000000, 0.0003275400000000 ] - [ 0.0005010500000000, 0.0003469500000000, 0.0011539800000000 ] - [ 0.0000452100000000, -0.0004234300000000, -0.0002096900000000 ] - [ -0.0004774800000000, -0.0001687200000000, 0.0000784000000000 ] - [ -0.0001778000000000, -0.0004016400000000, 0.0001946400000000 ] - [ -0.0005654900000000, 0.0010787600000000, -0.0006848000000000 ] - [ -0.0001186000000000, 0.0001604200000000, 0.0001687600000000 ] - [ 0.0020254000000000, 0.0057553800000000, 0.0023244600000000 ] - [ 0.0001268200000000, 0.0002683300000000, -0.0003138000000000 ] - [ 0.0749760300000000, 0.0304347600000000, -0.0004112300000000 ] - [ -0.0005935200000000, 0.0001643600000000, 0.0004130200000000 ] - [ 0.0003642700000000, 0.0002174200000000, -0.0003592400000000 ] - [ 0.0000762600000000, 0.0003250900000000, -0.0003921200000000 ] - [ -0.0013022600000000, -0.0003367600000000, -0.0034060600000000 ] - [ 0.0005350100000000, -0.0003330700000000, -0.0004089400000000 ] - [ -0.0004384500000000, -0.0001051900000000, 0.0004318700000000 ] - [ -0.0005377200000000, -0.0003618400000000, 0.0004007800000000 ] - [ -0.0003538400000000, 0.0006679700000000, 0.0016599900000000 ] - [ -0.0001294700000000, 0.0006594700000000, 0.0003842800000000 ] - [ -0.0007692100000000, 0.0021359300000000, -0.0006954200000000 ] - [ 0.0001642000000000, 0.0004306300000000, -0.0003790200000000 ] - [ -0.0000037200000000, -0.0004329900000000, -0.0008734400000000 ] - [ 0.0000967100000000, -0.0008643300000000, -0.0003937900000000 ] - [ 0.0002556400000000, -0.0006566900000000, -0.0001485000000000 ] - [ -0.0001178200000000, -0.0004379500000000, 0.0003463600000000 ]- atom: 25 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0000595800000000, -0.0092349900000000, -0.0086939100000000 ] - [ -0.0000047300000000, 0.0005392200000000, 0.0000523700000000 ] - [ -0.0007900300000000, 0.0007552900000000, -0.0003092800000000 ] - [ 0.0000161600000000, 0.0002959500000000, -0.0000049700000000 ] - [ -0.0090057300000000, 0.0043205000000000, -0.0050212200000000 ] - [ 0.0000143000000000, -0.0006960100000000, -0.0000403700000000 ] - [ -0.0000882300000000, -0.0010981400000000, 0.0003265300000000 ] - [ -0.0000392900000000, -0.0004686400000000, -0.0000562700000000 ] - [ -0.0075038200000000, -0.0039741500000000, 0.0091545600000000 ] - [ -0.0002008300000000, -0.0004445400000000, 0.0000950200000000 ] - [ -0.0005600600000000, 0.0001483800000000, 0.0003462200000000 ] - [ 0.0000808700000000, -0.0007495200000000, 0.0000757500000000 ] - [ 0.0005890700000000, 0.0003566900000000, -0.0016324200000000 ] - [ 0.0001896800000000, 0.0002901600000000, -0.0000776400000000 ] - [ -0.0000488100000000, 0.0003578700000000, -0.0002420000000000 ] - [ 0.0000004000000000, 0.0008116200000000, -0.0001607500000000 ] - [ 0.0010282900000000, 0.0008589000000000, 0.0008633900000000 ] - [ -0.0001187300000000, -0.0002593000000000, -0.0003299700000000 ] - [ -0.0000589700000000, -0.0005475600000000, -0.0000809500000000 ] - [ -0.0004343000000000, -0.0000616400000000, -0.0002054100000000 ] - [ -0.0008937600000000, 0.0001891600000000, -0.0001266600000000 ] - [ 0.0000426000000000, 0.0000219500000000, 0.0002596600000000 ] - [ 0.0005224400000000, 0.0012854500000000, 0.0002611500000000 ] - [ 0.0002399100000000, -0.0000610000000000, -0.0001233000000000 ] - [ 0.1828562300000000, 0.0549760200000000, -0.0219136800000000 ] - [ -0.0002667100000000, 0.0002008400000000, 0.0002038300000000 ] - [ 0.0001497200000000, 0.0007185200000000, -0.0003613900000000 ] - [ 0.0001484500000000, 0.0000171200000000, -0.0007418700000000 ] - [ -0.0021779100000000, -0.0004818300000000, -0.0003530400000000 ] - [ 0.0001795100000000, -0.0004313300000000, -0.0001643700000000 ] - [ 0.0001357300000000, -0.0005027600000000, 0.0008617000000000 ] - [ -0.0002281100000000, -0.0004461600000000, 0.0002806600000000 ] - [ -0.0020512600000000, 0.0026519900000000, 0.0140334500000000 ] - [ 0.0001857200000000, 0.0001642800000000, -0.0000381900000000 ] - [ -0.0001441300000000, 0.0002135300000000, -0.0000791100000000 ] - [ -0.0002780800000000, 0.0001973900000000, -0.0000627300000000 ] - [ -0.0047485600000000, 0.0045760400000000, -0.0010408300000000 ] - [ -0.0001649000000000, -0.0004968800000000, 0.0000298200000000 ] - [ 0.0004982800000000, -0.0008272100000000, -0.0001855800000000 ] - [ 0.0003675500000000, -0.0004152300000000, 0.0000155600000000 ] - [ 0.0006908100000000, 0.0007468800000000, -0.0005622300000000 ] - [ 0.0001973300000000, 0.0001444400000000, 0.0001475300000000 ] - [ -0.0095307000000000, -0.0124496100000000, -0.0062390100000000 ] - [ -0.0000949400000000, 0.0001839700000000, -0.0001402600000000 ] - [ -0.0004886200000000, -0.0000562100000000, 0.0003714400000000 ] - [ -0.0001432900000000, -0.0004154900000000, -0.0001317000000000 ] - [ 0.0004709400000000, 0.0004354000000000, 0.0007778900000000 ] - [ -0.0001630800000000, -0.0007692200000000, 0.0003611600000000 ] - [ -0.0006264500000000, -0.0008040400000000, 0.0031631600000000 ] - [ -0.0000991600000000, 0.0002793300000000, 0.0000275200000000 ] - [ 0.0001107600000000, 0.0002704700000000, -0.0000148500000000 ] - [ 0.0002396500000000, 0.0005255500000000, 0.0007775300000000 ] - [ 0.0004747600000000, -0.0004896000000000, 0.0001623100000000 ] - [ 0.0000772400000000, -0.0001333400000000, -0.0000275400000000 ] - [ -0.0000900700000000, 0.0005985400000000, -0.0004315700000000 ] - [ -0.0001776500000000, -0.0002227900000000, -0.0000660400000000 ] - [ -0.0024195100000000, 0.0004081900000000, -0.0007373300000000 ] - [ -0.0001400000000000, 0.0002100200000000, -0.0001697300000000 ] - [ 0.0007011600000000, 0.0005545700000000, 0.0018424500000000 ] - [ 0.0000055300000000, 0.0002199200000000, 0.0001509200000000 ] - [ 0.0021580100000000, -0.0000366300000000, -0.0004094100000000 ] - [ 0.0000460100000000, -0.0000908000000000, 0.0001759800000000 ] - [ -0.0002493300000000, -0.0001977000000000, -0.0004142200000000 ] - [ -0.0000489400000000, -0.0000496700000000, -0.0003403500000000 ] - [ -0.0013996400000000, -0.0007480700000000, 0.0000129000000000 ] - [ 0.0004010100000000, -0.0000150600000000, -0.0003261100000000 ] - [ -0.0001581700000000, -0.0001404600000000, 0.0006437000000000 ] - [ -0.0004493300000000, -0.0000116000000000, 0.0003793400000000 ] - [ 0.0026696600000000, -0.0006627800000000, 0.0003271600000000 ] - [ -0.0004296900000000, 0.0001865200000000, 0.0003049800000000 ] - [ 0.0001253800000000, 0.0007460100000000, -0.0004874000000000 ] - [ 0.0003542500000000, 0.0001142900000000, -0.0003134600000000 ] - [ -0.0017993400000000, 0.0008898200000000, -0.0020342800000000 ] - [ 0.0000357900000000, 0.0001535200000000, -0.0000282400000000 ] - [ 0.0001015400000000, 0.0000512000000000, 0.0001723700000000 ] - [ -0.0000366700000000, 0.0000305500000000, 0.0001030700000000 ] - [ 0.0024245200000000, 0.0014485900000000, 0.0007508400000000 ] - [ 0.0001510700000000, -0.0000333700000000, -0.0000462700000000 ] - [ 0.0002035900000000, -0.0007149200000000, -0.0011051800000000 ] - [ 0.0000842200000000, 0.0001142700000000, -0.0000952900000000 ] - [ -0.0736071100000000, -0.0015569900000000, 0.0188536800000000 ] - [ 0.0008015800000000, -0.0000479400000000, 0.0002616300000000 ] - [ -0.0009879400000000, -0.0002469400000000, -0.0000817900000000 ] - [ -0.0010173600000000, -0.0000767400000000, -0.0001039400000000 ] - [ 0.0008236100000000, -0.0018750300000000, -0.0014704900000000 ] - [ -0.0007965500000000, 0.0002742900000000, -0.0002728900000000 ] - [ 0.0007860300000000, 0.0004021600000000, 0.0001391600000000 ] - [ 0.0008383900000000, 0.0002417800000000, 0.0001350600000000 ] - [ -0.0003884300000000, -0.0010096100000000, -0.0016165900000000 ] - [ 0.0000720600000000, -0.0002432600000000, -0.0002456000000000 ] - [ 0.0003591700000000, -0.0004946800000000, 0.0003783600000000 ] - [ 0.0000605800000000, -0.0002666000000000, 0.0002629900000000 ] - [ 0.0004509100000000, -0.0004045700000000, 0.0011310300000000 ] - [ 0.0000016600000000, 0.0005062700000000, 0.0002867100000000 ] - [ -0.0019599100000000, -0.0051337600000000, -0.0027946500000000 ] - [ -0.0000089700000000, 0.0003962000000000, -0.0001399500000000 ] - [ -0.0799237600000000, -0.0318394000000000, 0.0013156100000000 ] - [ -0.0005850200000000, 0.0003978500000000, 0.0004092200000000 ] - [ 0.0008130100000000, 0.0003458200000000, -0.0004636000000000 ] - [ 0.0010997900000000, 0.0002340900000000, -0.0004332300000000 ] - [ 0.0024925500000000, -0.0002201700000000, 0.0026114100000000 ] - [ 0.0006418800000000, -0.0002284400000000, -0.0004144900000000 ] - [ -0.0007351700000000, -0.0004573800000000, 0.0003855100000000 ] - [ -0.0006404100000000, -0.0001986700000000, 0.0004220600000000 ] - [ 0.0001263200000000, 0.0008622100000000, -0.0008883800000000 ] - [ -0.0001003300000000, 0.0008701400000000, 0.0003792900000000 ] - [ 0.0010020100000000, -0.0006224900000000, -0.0000637600000000 ] - [ 0.0000639900000000, 0.0010985800000000, -0.0003846000000000 ] - [ 0.0002319300000000, -0.0010970600000000, 0.0001032100000000 ] - [ 0.0001333400000000, -0.0006631700000000, -0.0003692900000000 ] - [ -0.0004884500000000, -0.0008804700000000, 0.0009070500000000 ] - [ -0.0001164500000000, -0.0010867100000000, 0.0004157200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047100200000000, 0.0073180600000000, 0.0076224100000000 ] - [ -0.0003029200000000, 0.0018724800000000, -0.0000402500000000 ] - [ 0.0001734200000000, -0.0002324900000000, -0.0001055500000000 ] - [ 0.0000475400000000, 0.0012054300000000, -0.0000483000000000 ] - [ -0.0000863600000000, -0.0049675900000000, 0.0031203900000000 ] - [ 0.0000280500000000, 0.0004665200000000, -0.0000328300000000 ] - [ 0.0002480100000000, -0.0001245800000000, -0.0002621600000000 ] - [ -0.0005890800000000, 0.0000690000000000, 0.0005298000000000 ] - [ 0.0040212300000000, 0.0013753100000000, -0.0051209500000000 ] - [ -0.0002603100000000, 0.0003337800000000, -0.0000456700000000 ] - [ -0.0001983000000000, -0.0009405600000000, 0.0000047800000000 ] - [ 0.0002232400000000, 0.0002327500000000, -0.0001332100000000 ] - [ -0.0011755500000000, -0.0019668700000000, -0.0002877000000000 ] - [ 0.0002564600000000, 0.0008930500000000, -0.0001134500000000 ] - [ -0.0002829600000000, 0.0007766100000000, 0.0007936300000000 ] - [ -0.0001207600000000, 0.0011458100000000, -0.0011484800000000 ] - [ -0.0001586700000000, -0.0014630700000000, -0.0008013100000000 ] - [ 0.0000712500000000, 0.0005166300000000, -0.0001482400000000 ] - [ 0.0003184700000000, 0.0004523500000000, 0.0004606100000000 ] - [ -0.0001837900000000, -0.0002324900000000, 0.0002547800000000 ] - [ 0.0000009000000000, -0.0010625400000000, -0.0003611700000000 ] - [ 0.0001876500000000, 0.0007687200000000, 0.0004565000000000 ] - [ -0.0059616200000000, 0.0085317300000000, -0.0054043700000000 ] - [ 0.0003421700000000, 0.0019897200000000, -0.0002901200000000 ] - [ -0.0537217600000000, -0.0426091300000000, 0.0106184000000000 ] - [ -0.0001619400000000, 0.0013921800000000, 0.0001216600000000 ] - [ -0.0000224400000000, 0.0006834500000000, -0.0003218400000000 ] - [ 0.0006840400000000, 0.0006816600000000, -0.0002175900000000 ] - [ 0.0004412600000000, -0.0004993000000000, 0.0001899000000000 ] - [ 0.0003921400000000, 0.0001428900000000, -0.0003007600000000 ] - [ -0.0004667000000000, -0.0010872800000000, 0.0002560300000000 ] - [ -0.0004067900000000, 0.0002815300000000, 0.0002823100000000 ] - [ 0.0017281500000000, -0.0014498400000000, 0.0004321600000000 ] - [ 0.0001866000000000, 0.0008007700000000, 0.0000275200000000 ] - [ -0.0001617500000000, 0.0005219600000000, -0.0001958100000000 ] - [ -0.0002421000000000, 0.0002331100000000, 0.0003731500000000 ] - [ -0.0023746700000000, -0.0007831300000000, -0.0000449700000000 ] - [ 0.0000804600000000, 0.0002555200000000, 0.0000389700000000 ] - [ 0.0001626700000000, 0.0012131900000000, 0.0094142800000000 ] - [ 0.0000861200000000, 0.0003399400000000, -0.0003964000000000 ] - [ -0.0006669800000000, 0.0013404800000000, -0.0040971100000000 ] - [ 0.0001822300000000, 0.0012102400000000, 0.0004647000000000 ] - [ 0.0108261300000000, -0.0006704400000000, -0.0025947300000000 ] - [ -0.0002088100000000, 0.0012114100000000, -0.0000881400000000 ] - [ -0.0000682000000000, -0.0017988100000000, 0.0002003600000000 ] - [ -0.0001647800000000, 0.0003820700000000, -0.0001261200000000 ] - [ -0.0003460100000000, 0.0000386600000000, 0.0005447900000000 ] - [ 0.0003403700000000, 0.0002918000000000, 0.0001383300000000 ] - [ -0.0000516900000000, 0.0019632100000000, -0.0017394800000000 ] - [ 0.0000096300000000, -0.0003146800000000, -0.0000036000000000 ] - [ 0.0001921800000000, -0.0003188500000000, 0.0000110200000000 ] - [ -0.0003555200000000, 0.0007347500000000, 0.0003493800000000 ] - [ 0.0000620300000000, 0.0001870100000000, -0.0000938200000000 ] - [ 0.0001267000000000, -0.0005560700000000, -0.0000540900000000 ] - [ -0.0003685900000000, -0.0002770400000000, 0.0002903000000000 ] - [ -0.0000212500000000, -0.0006068900000000, -0.0001215000000000 ] - [ -0.0001069300000000, 0.0018697900000000, 0.0002281800000000 ] - [ -0.0003820200000000, -0.0010440100000000, -0.0003618300000000 ] - [ -0.0014688800000000, 0.0011593700000000, -0.0000858400000000 ] - [ 0.0001073400000000, -0.0002260200000000, 0.0002504900000000 ] - [ 0.0005108700000000, 0.0004813100000000, -0.0000815100000000 ] - [ -0.0000409900000000, -0.0005362200000000, 0.0000891700000000 ] - [ 0.0000619700000000, -0.0002222200000000, -0.0001013000000000 ] - [ -0.0000433900000000, -0.0003987900000000, -0.0002440300000000 ] - [ 0.0008141500000000, 0.0007631200000000, -0.0012725000000000 ] - [ 0.0003219200000000, -0.0006394200000000, -0.0001481700000000 ] - [ -0.0001408800000000, 0.0001433100000000, 0.0006065600000000 ] - [ -0.0004600800000000, -0.0005098600000000, 0.0002195400000000 ] - [ -0.0015686500000000, 0.0010514500000000, 0.0007145500000000 ] - [ -0.0005785600000000, -0.0004301900000000, 0.0004444900000000 ] - [ 0.0001753500000000, -0.0005436500000000, 0.0000380700000000 ] - [ 0.0021374300000000, -0.0013314600000000, -0.0013669000000000 ] - [ 0.0008712800000000, 0.0025014700000000, -0.0004417800000000 ] - [ 0.0000331100000000, -0.0006265200000000, -0.0001096000000000 ] - [ -0.0001302300000000, 0.0000969900000000, 0.0000184900000000 ] - [ -0.0001185600000000, -0.0003166000000000, 0.0001209500000000 ] - [ -0.0008323100000000, -0.0006059100000000, -0.0003357300000000 ] - [ 0.0000605700000000, -0.0002994600000000, 0.0001174300000000 ] - [ 0.0008515900000000, 0.0011496800000000, -0.0003648100000000 ] - [ 0.0000813100000000, -0.0005563300000000, 0.0000033000000000 ] - [ 0.0185866500000000, 0.0061204200000000, -0.0061393200000000 ] - [ 0.0008223800000000, -0.0007784700000000, 0.0001099800000000 ] - [ -0.0006787300000000, -0.0007195600000000, 0.0005361300000000 ] - [ -0.0014388900000000, -0.0009199000000000, -0.0008223000000000 ] - [ -0.0005404400000000, 0.0006927300000000, -0.0005733700000000 ] - [ -0.0009281000000000, -0.0002504700000000, -0.0002405400000000 ] - [ 0.0009429100000000, 0.0007673200000000, -0.0007918400000000 ] - [ 0.0008318200000000, -0.0002705600000000, 0.0004186900000000 ] - [ 0.0000345800000000, 0.0004884200000000, -0.0002313400000000 ] - [ -0.0001094400000000, -0.0008729000000000, -0.0002191400000000 ] - [ -0.0000169800000000, -0.0005063200000000, 0.0000518700000000 ] - [ -0.0001118900000000, -0.0004381000000000, 0.0001380600000000 ] - [ 0.0007574200000000, 0.0008127200000000, 0.0010667100000000 ] - [ -0.0003054000000000, -0.0001335500000000, 0.0002120600000000 ] - [ 0.0020199400000000, 0.0079898000000000, -0.0000183600000000 ] - [ 0.0003299200000000, -0.0007039700000000, 0.0000197500000000 ] - [ 0.0208183100000000, 0.0106565300000000, -0.0027084100000000 ] - [ -0.0006198000000000, -0.0003369000000000, 0.0005455500000000 ] - [ 0.0005769700000000, -0.0000510100000000, -0.0003446900000000 ] - [ 0.0006588000000000, 0.0002673200000000, -0.0002295100000000 ] - [ 0.0005280800000000, 0.0006303000000000, -0.0028310100000000 ] - [ 0.0005911500000000, -0.0008221800000000, -0.0002738100000000 ] - [ -0.0006912600000000, -0.0001217600000000, 0.0006703300000000 ] - [ -0.0005397100000000, -0.0006542800000000, 0.0002965200000000 ] - [ -0.0003497900000000, 0.0009459500000000, 0.0013129600000000 ] - [ -0.0001155700000000, -0.0000494000000000, 0.0002228900000000 ] - [ 0.0009819000000000, 0.0016272200000000, -0.0004744500000000 ] - [ 0.0000461100000000, 0.0000675200000000, -0.0003767000000000 ] - [ 0.0002790000000000, 0.0004870700000000, 0.0000364100000000 ] - [ 0.0000649600000000, -0.0013645700000000, -0.0004289500000000 ] - [ -0.0003782400000000, -0.0015725700000000, -0.0005640000000000 ] - [ 0.0007991400000000, -0.0018087900000000, 0.0014361600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048912200000000, -0.0064358900000000, -0.0076168200000000 ] - [ 0.0002215400000000, -0.0009629600000000, 0.0000919800000000 ] - [ -0.0000945100000000, 0.0011309300000000, 0.0000534100000000 ] - [ 0.0000312000000000, -0.0002994000000000, -0.0000051300000000 ] - [ 0.0001935300000000, 0.0040258700000000, -0.0031469300000000 ] - [ 0.0000496900000000, -0.0013668000000000, -0.0000207000000000 ] - [ -0.0003282500000000, -0.0007698300000000, 0.0003160400000000 ] - [ 0.0005050100000000, -0.0009711700000000, -0.0004719300000000 ] - [ -0.0044106000000000, -0.0020938500000000, 0.0051949200000000 ] - [ -0.0001222100000000, -0.0010637700000000, 0.0001701500000000 ] - [ 0.0005756200000000, 0.0002010500000000, -0.0001317700000000 ] - [ 0.0001564700000000, -0.0009610600000000, 0.0000077300000000 ] - [ 0.0015471600000000, 0.0026961700000000, 0.0001680900000000 ] - [ 0.0001242000000000, -0.0001588700000000, -0.0000121400000000 ] - [ -0.0000979700000000, -0.0000440000000000, -0.0006742900000000 ] - [ -0.0002597000000000, -0.0004145900000000, 0.0012645100000000 ] - [ -0.0000875200000000, 0.0011709300000000, 0.0001467000000000 ] - [ -0.0003218700000000, -0.0008072600000000, -0.0005047300000000 ] - [ -0.0000714800000000, -0.0007387400000000, 0.0001934200000000 ] - [ 0.0004326000000000, -0.0000651100000000, 0.0003979200000000 ] - [ 0.0002513600000000, 0.0013546900000000, 0.0010107900000000 ] - [ 0.0000633900000000, -0.0004746900000000, 0.0001975000000000 ] - [ 0.0056385700000000, -0.0080857300000000, 0.0046919700000000 ] - [ -0.0006027100000000, -0.0017111100000000, -0.0003669000000000 ] - [ 0.0536276300000000, 0.0430424900000000, -0.0104786100000000 ] - [ -0.0004302100000000, -0.0007208700000000, 0.0002481900000000 ] - [ 0.0006184200000000, -0.0000089500000000, -0.0000491200000000 ] - [ -0.0000875600000000, -0.0000108700000000, -0.0001543400000000 ] - [ 0.0001501100000000, -0.0001672800000000, -0.0005559000000000 ] - [ 0.0002003300000000, -0.0008131800000000, -0.0000710400000000 ] - [ -0.0001276100000000, 0.0004067000000000, 0.0001181500000000 ] - [ -0.0001867000000000, -0.0009492700000000, 0.0000885900000000 ] - [ -0.0014151800000000, 0.0019641800000000, -0.0003915500000000 ] - [ 0.0001298100000000, -0.0002895200000000, -0.0000893300000000 ] - [ -0.0001550900000000, -0.0000089000000000, 0.0002614600000000 ] - [ -0.0000734200000000, 0.0002751600000000, -0.0003077300000000 ] - [ 0.0020734300000000, 0.0003241000000000, 0.0000965400000000 ] - [ -0.0003943500000000, -0.0007648200000000, 0.0000218400000000 ] - [ 0.0001568200000000, -0.0016898300000000, -0.0093704200000000 ] - [ 0.0002288600000000, -0.0008491400000000, 0.0003390800000000 ] - [ 0.0009513200000000, -0.0007432400000000, 0.0044040300000000 ] - [ 0.0000965100000000, -0.0006164400000000, -0.0002159800000000 ] - [ -0.0110105900000000, 0.0011845300000000, 0.0023094400000000 ] - [ -0.0000661100000000, -0.0006203000000000, -0.0001588900000000 ] - [ -0.0002112700000000, 0.0011991100000000, -0.0004384300000000 ] - [ -0.0001122000000000, -0.0009699900000000, -0.0001201000000000 ] - [ 0.0006344400000000, -0.0006191100000000, -0.0003002700000000 ] - [ -0.0000627900000000, -0.0008822900000000, 0.0001086900000000 ] - [ -0.0000856200000000, -0.0015578500000000, 0.0018069200000000 ] - [ -0.0001629100000000, 0.0007093400000000, 0.0000699900000000 ] - [ -0.0000420100000000, 0.0007131900000000, -0.0000774400000000 ] - [ 0.0005052800000000, -0.0003309500000000, -0.0004135600000000 ] - [ 0.0000929300000000, -0.0005836200000000, 0.0000244000000000 ] - [ 0.0000265500000000, 0.0001591000000000, -0.0000133000000000 ] - [ 0.0002127900000000, -0.0001152100000000, -0.0002214000000000 ] - [ -0.0001338400000000, 0.0002097900000000, 0.0001896200000000 ] - [ 0.0001545500000000, -0.0016897500000000, -0.0005369100000000 ] - [ 0.0003669400000000, 0.0013676100000000, 0.0000498800000000 ] - [ 0.0014679600000000, -0.0008212500000000, 0.0003991500000000 ] - [ -0.0000956000000000, 0.0005550300000000, 0.0000604100000000 ] - [ -0.0004856800000000, -0.0008025400000000, 0.0003874800000000 ] - [ 0.0000524200000000, 0.0002051100000000, 0.0002216600000000 ] - [ -0.0000753100000000, -0.0001110200000000, -0.0002112700000000 ] - [ 0.0000301300000000, 0.0000690800000000, -0.0000688300000000 ] - [ 0.0001927600000000, -0.0009192900000000, 0.0005943000000000 ] - [ 0.0006868500000000, 0.0004941600000000, -0.0005273900000000 ] - [ -0.0008677300000000, -0.0002833700000000, 0.0000698000000000 ] - [ -0.0005490600000000, 0.0003641900000000, 0.0004569100000000 ] - [ 0.0005563600000000, -0.0009007400000000, -0.0000329500000000 ] - [ -0.0004319200000000, 0.0005727200000000, 0.0002327400000000 ] - [ 0.0008429100000000, 0.0006842400000000, -0.0007193200000000 ] - [ -0.0011142900000000, 0.0014645900000000, 0.0006808000000000 ] - [ -0.0007325200000000, -0.0024794200000000, 0.0003220000000000 ] - [ 0.0001223100000000, 0.0006495500000000, 0.0000184100000000 ] - [ -0.0000257600000000, -0.0000768300000000, 0.0000742900000000 ] - [ -0.0000374600000000, 0.0003385600000000, -0.0000277400000000 ] - [ 0.0006587200000000, 0.0005617100000000, 0.0004232900000000 ] - [ -0.0002147000000000, 0.0002777800000000, -0.0000240300000000 ] - [ -0.0006855500000000, -0.0011628800000000, 0.0002676300000000 ] - [ 0.0000751100000000, 0.0005324000000000, -0.0000964500000000 ] - [ -0.0169115000000000, -0.0068069600000000, 0.0065443500000000 ] - [ 0.0008919800000000, 0.0004366300000000, 0.0003529100000000 ] - [ -0.0010399000000000, 0.0003772200000000, -0.0010060300000000 ] - [ -0.0002817200000000, 0.0005749800000000, 0.0003534700000000 ] - [ -0.0011729900000000, -0.0003790100000000, 0.0000960300000000 ] - [ -0.0007886600000000, 0.0005912900000000, -0.0002213600000000 ] - [ 0.0007736900000000, -0.0004228000000000, 0.0012525900000000 ] - [ 0.0008840900000000, 0.0006097100000000, 0.0000432700000000 ] - [ 0.0000784200000000, -0.0011534900000000, -0.0002360600000000 ] - [ 0.0002259500000000, 0.0002043900000000, -0.0002360900000000 ] - [ -0.0000983800000000, -0.0001672000000000, 0.0003989500000000 ] - [ -0.0000067400000000, -0.0002267200000000, 0.0003160700000000 ] - [ -0.0008805300000000, -0.0001572300000000, -0.0006056200000000 ] - [ 0.0001867600000000, 0.0007994700000000, 0.0002429800000000 ] - [ -0.0018060100000000, -0.0065543900000000, -0.0001659000000000 ] - [ -0.0002145000000000, 0.0013759300000000, -0.0004792100000000 ] - [ -0.0225594500000000, -0.0102217400000000, 0.0035344300000000 ] - [ -0.0005568100000000, 0.0008971600000000, 0.0002780200000000 ] - [ 0.0006014100000000, 0.0006090000000000, -0.0004775800000000 ] - [ 0.0005187300000000, 0.0002954300000000, -0.0005917200000000 ] - [ 0.0006496900000000, -0.0011938200000000, 0.0019864300000000 ] - [ 0.0005875300000000, 0.0002585100000000, -0.0005482300000000 ] - [ -0.0004870700000000, -0.0004364100000000, 0.0001526100000000 ] - [ -0.0006372500000000, 0.0000907600000000, 0.0005265000000000 ] - [ 0.0001212200000000, 0.0005809700000000, -0.0005385600000000 ] - [ -0.0001134600000000, 0.0015739100000000, 0.0005392000000000 ] - [ -0.0007439600000000, -0.0000863300000000, -0.0002835100000000 ] - [ 0.0001875300000000, 0.0014572800000000, -0.0003861100000000 ] - [ -0.0000479200000000, -0.0020100800000000, -0.0008012700000000 ] - [ 0.0001652000000000, -0.0001654300000000, -0.0003343800000000 ] - [ 0.0001569900000000, 0.0000520600000000, 0.0013348400000000 ] - [ -0.0010238000000000, 0.0002763800000000, -0.0006682300000000 ]- atom: 25 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0011487900000000, 0.0005104200000000, -0.0028885200000000 ] - [ -0.0001338300000000, 0.0002498800000000, -0.0000989300000000 ] - [ -0.0003417300000000, 0.0006068300000000, 0.0006017500000000 ] - [ 0.0000563500000000, 0.0003375100000000, 0.0000736500000000 ] - [ 0.0002269500000000, 0.0012205100000000, -0.0028278200000000 ] - [ 0.0000303600000000, -0.0005500800000000, -0.0000816200000000 ] - [ -0.0002436200000000, -0.0007740200000000, 0.0003778100000000 ] - [ -0.0002094300000000, -0.0005223100000000, 0.0004450700000000 ] - [ -0.0079966300000000, -0.0034609600000000, 0.0014650300000000 ] - [ -0.0002563300000000, -0.0003543200000000, -0.0000031700000000 ] - [ -0.0003362000000000, -0.0001434400000000, -0.0006270400000000 ] - [ 0.0000740800000000, -0.0005116600000000, -0.0002068800000000 ] - [ 0.0018177200000000, 0.0017261800000000, 0.0014583200000000 ] - [ 0.0002026200000000, 0.0002819100000000, -0.0000002900000000 ] - [ -0.0000652200000000, 0.0006891900000000, 0.0001349300000000 ] - [ -0.0000064300000000, -0.0010429400000000, 0.0005253800000000 ] - [ -0.0006521700000000, 0.0004335600000000, 0.0017079400000000 ] - [ -0.0001034900000000, -0.0002430900000000, -0.0002376700000000 ] - [ 0.0001018000000000, -0.0001354600000000, 0.0002107000000000 ] - [ 0.0001410400000000, -0.0004326400000000, 0.0002499200000000 ] - [ 0.0002226800000000, 0.0005338600000000, 0.0004362800000000 ] - [ 0.0000967800000000, 0.0000505800000000, 0.0003443500000000 ] - [ -0.0023170700000000, -0.0006556300000000, -0.0040185200000000 ] - [ -0.0002731900000000, -0.0000505700000000, -0.0006214700000000 ] - [ 0.0795531100000000, 0.0277414600000000, -0.0382759100000000 ] - [ -0.0003041800000000, 0.0002325000000000, 0.0000971000000000 ] - [ 0.0007775900000000, 0.0004902100000000, -0.0003677300000000 ] - [ 0.0004146900000000, 0.0003614000000000, -0.0004903400000000 ] - [ -0.0003380800000000, -0.0000276200000000, 0.0004598300000000 ] - [ 0.0002389900000000, -0.0004746500000000, -0.0001535400000000 ] - [ -0.0007911100000000, -0.0004524500000000, 0.0013296400000000 ] - [ -0.0003642200000000, -0.0004627100000000, 0.0002763100000000 ] - [ -0.0070907100000000, 0.0017268200000000, 0.0127421900000000 ] - [ 0.0001474500000000, 0.0001331400000000, -0.0000470500000000 ] - [ -0.0000994600000000, 0.0000069000000000, 0.0007401500000000 ] - [ 0.0000016900000000, 0.0001769300000000, 0.0003785500000000 ] - [ -0.0020314200000000, 0.0033894800000000, -0.0016331700000000 ] - [ -0.0000747900000000, -0.0004235600000000, -0.0000811900000000 ] - [ 0.0005466700000000, 0.0024348000000000, 0.0036226100000000 ] - [ 0.0001424200000000, -0.0005965300000000, -0.0000097500000000 ] - [ 0.0034362300000000, -0.0055170700000000, -0.0009331400000000 ] - [ 0.0001771900000000, 0.0003828500000000, 0.0001400600000000 ] - [ -0.0018851900000000, -0.0075100800000000, -0.0068246500000000 ] - [ -0.0000794600000000, 0.0002057300000000, -0.0002059100000000 ] - [ 0.0000368700000000, 0.0005344700000000, 0.0020077600000000 ] - [ -0.0001145700000000, -0.0004375200000000, -0.0000430500000000 ] - [ 0.0002409700000000, 0.0004639100000000, 0.0006460800000000 ] - [ -0.0001444700000000, -0.0009642400000000, 0.0003791700000000 ] - [ -0.0003176900000000, 0.0020092000000000, 0.0065873100000000 ] - [ -0.0000685800000000, 0.0002185600000000, 0.0000384500000000 ] - [ 0.0000107400000000, 0.0002285200000000, 0.0000828800000000 ] - [ -0.0001481400000000, 0.0004438100000000, 0.0007770900000000 ] - [ -0.0003827400000000, -0.0004064800000000, -0.0012310700000000 ] - [ 0.0000757200000000, -0.0001505600000000, -0.0000728800000000 ] - [ -0.0000146400000000, 0.0006760800000000, -0.0003088900000000 ] - [ -0.0000834700000000, -0.0001834500000000, -0.0000376400000000 ] - [ -0.0011366100000000, 0.0016155900000000, 0.0013944400000000 ] - [ -0.0001232900000000, -0.0001317400000000, -0.0000841300000000 ] - [ -0.0006558100000000, 0.0000064100000000, 0.0011526900000000 ] - [ -0.0000288800000000, 0.0002886500000000, 0.0001890500000000 ] - [ 0.0008566900000000, -0.0001231600000000, -0.0006322400000000 ] - [ -0.0000080200000000, -0.0001268100000000, 0.0001323400000000 ] - [ 0.0001685000000000, 0.0000050800000000, -0.0008970200000000 ] - [ 0.0000121400000000, -0.0000700700000000, -0.0004722600000000 ] - [ -0.0003028300000000, -0.0011003200000000, -0.0003926100000000 ] - [ 0.0005147900000000, 0.0001195500000000, -0.0003717400000000 ] - [ -0.0008615600000000, 0.0001424500000000, -0.0000872500000000 ] - [ -0.0005279900000000, -0.0000320400000000, 0.0002771000000000 ] - [ 0.0008905500000000, -0.0002460600000000, 0.0005801700000000 ] - [ -0.0004976400000000, 0.0001428000000000, 0.0003653200000000 ] - [ 0.0008441600000000, 0.0005992100000000, -0.0002451800000000 ] - [ 0.0010548300000000, -0.0003694400000000, -0.0005959600000000 ] - [ 0.0004379400000000, -0.0021768900000000, 0.0049819900000000 ] - [ 0.0000855800000000, 0.0000544000000000, -0.0000240400000000 ] - [ -0.0001892600000000, -0.0000983100000000, -0.0001974900000000 ] - [ -0.0001700900000000, 0.0001001200000000, -0.0001005300000000 ] - [ 0.0004971300000000, -0.0000486600000000, 0.0001277200000000 ] - [ -0.0000021500000000, 0.0001147400000000, 0.0001198500000000 ] - [ 0.0010384500000000, -0.0004973300000000, -0.0008996500000000 ] - [ 0.0001053500000000, 0.0000847400000000, -0.0000885400000000 ] - [ -0.0350183300000000, -0.0006681500000000, 0.0143266700000000 ] - [ 0.0007807800000000, -0.0000768100000000, 0.0003413400000000 ] - [ -0.0015254600000000, 0.0005097700000000, -0.0001615300000000 ] - [ -0.0011777400000000, -0.0004350100000000, -0.0004691500000000 ] - [ 0.0000678200000000, -0.0013259600000000, -0.0012221200000000 ] - [ -0.0008352200000000, 0.0003212600000000, -0.0002147900000000 ] - [ 0.0009942000000000, 0.0000033500000000, -0.0006460300000000 ] - [ 0.0009079100000000, 0.0003303300000000, 0.0000671800000000 ] - [ 0.0005216100000000, -0.0005678500000000, -0.0029454300000000 ] - [ 0.0000959100000000, -0.0002217000000000, -0.0003080800000000 ] - [ 0.0000884600000000, -0.0005654800000000, -0.0000540900000000 ] - [ -0.0000152900000000, -0.0001647600000000, 0.0001175400000000 ] - [ -0.0009985700000000, -0.0002250200000000, 0.0012942500000000 ] - [ -0.0000825100000000, 0.0003895200000000, 0.0002900100000000 ] - [ 0.0005425900000000, -0.0023117500000000, 0.0022624300000000 ] - [ -0.0000026900000000, 0.0005269400000000, -0.0001145200000000 ] - [ -0.0310596000000000, -0.0155021500000000, 0.0069246700000000 ] - [ -0.0005269700000000, 0.0003658600000000, 0.0004755600000000 ] - [ 0.0006201700000000, 0.0003359300000000, -0.0004096800000000 ] - [ 0.0007886600000000, 0.0000195600000000, -0.0002744500000000 ] - [ 0.0001624800000000, -0.0012744900000000, 0.0007558200000000 ] - [ 0.0006044800000000, -0.0001710100000000, -0.0004196900000000 ] - [ -0.0003322400000000, -0.0001660800000000, -0.0004121300000000 ] - [ -0.0005069900000000, -0.0002578400000000, 0.0002091400000000 ] - [ 0.0007691600000000, 0.0010751600000000, -0.0003675800000000 ] - [ -0.0000931500000000, 0.0007028600000000, 0.0002909500000000 ] - [ 0.0002245700000000, 0.0011365300000000, 0.0005244800000000 ] - [ 0.0001262700000000, 0.0008056200000000, -0.0002387000000000 ] - [ 0.0001792500000000, -0.0008635800000000, -0.0012394400000000 ] - [ 0.0001330000000000, -0.0006905700000000, -0.0004375500000000 ] - [ -0.0000959700000000, -0.0012902400000000, 0.0007823100000000 ] - [ 0.0000102300000000, -0.0000103000000000, 0.0010321400000000 ]- atom: 25 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0012333200000000, 0.0004421100000000, 0.0030044500000000 ] - [ 0.0000542900000000, 0.0006548800000000, 0.0001525600000000 ] - [ 0.0004159200000000, 0.0002963900000000, -0.0006570200000000 ] - [ 0.0000222300000000, 0.0005658500000000, -0.0001271400000000 ] - [ -0.0001296400000000, -0.0021571300000000, 0.0028134600000000 ] - [ 0.0000485000000000, -0.0003514200000000, 0.0000285500000000 ] - [ 0.0001634800000000, -0.0001321900000000, -0.0003253200000000 ] - [ 0.0001305900000000, -0.0003776700000000, -0.0003943000000000 ] - [ 0.0075405800000000, 0.0026854900000000, -0.0013843000000000 ] - [ -0.0001250600000000, -0.0003784000000000, 0.0001276200000000 ] - [ 0.0007144800000000, -0.0005901100000000, 0.0004955500000000 ] - [ 0.0003059000000000, -0.0002188600000000, 0.0000793000000000 ] - [ -0.0014528800000000, -0.0010030700000000, -0.0015831800000000 ] - [ 0.0001783100000000, 0.0004519000000000, -0.0001243600000000 ] - [ -0.0003180500000000, 0.0000414300000000, -0.0000067600000000 ] - [ -0.0003766200000000, 0.0017852000000000, -0.0004016600000000 ] - [ 0.0003894200000000, -0.0007304200000000, -0.0023597200000000 ] - [ -0.0001477700000000, -0.0000488700000000, -0.0004163800000000 ] - [ 0.0001495800000000, -0.0001539400000000, 0.0004451700000000 ] - [ 0.0001087400000000, 0.0001385800000000, 0.0004074200000000 ] - [ 0.0000284500000000, -0.0002413400000000, 0.0002132300000000 ] - [ 0.0001542400000000, 0.0002426800000000, 0.0003088100000000 ] - [ 0.0020626000000000, 0.0009399700000000, 0.0033768400000000 ] - [ 0.0000227300000000, 0.0003464600000000, -0.0000335400000000 ] - [ -0.0814221900000000, -0.0268006000000000, 0.0391364400000000 ] - [ -0.0002883100000000, 0.0004386100000000, 0.0002735200000000 ] - [ -0.0001809200000000, 0.0001819500000000, -0.0000068200000000 ] - [ 0.0001776400000000, 0.0003095100000000, 0.0001158700000000 ] - [ 0.0009340600000000, -0.0006399800000000, -0.0008214500000000 ] - [ 0.0003541600000000, -0.0001955000000000, -0.0002171900000000 ] - [ 0.0001983800000000, -0.0002127500000000, -0.0009576800000000 ] - [ -0.0002289100000000, -0.0002085300000000, 0.0000950000000000 ] - [ 0.0075522500000000, -0.0012204300000000, -0.0128819000000000 ] - [ 0.0001684800000000, 0.0003778100000000, -0.0000138000000000 ] - [ -0.0002139500000000, 0.0005009200000000, -0.0006736800000000 ] - [ -0.0003164200000000, 0.0003362900000000, -0.0003158300000000 ] - [ 0.0017066900000000, -0.0038733400000000, 0.0016891000000000 ] - [ -0.0002400400000000, -0.0000872700000000, 0.0001426600000000 ] - [ -0.0002243200000000, -0.0029099500000000, -0.0036752800000000 ] - [ 0.0001725500000000, 0.0000845200000000, -0.0000531800000000 ] - [ -0.0031205300000000, 0.0060385600000000, 0.0011591700000000 ] - [ 0.0001002800000000, 0.0002081800000000, 0.0001062400000000 ] - [ 0.0015819000000000, 0.0080508300000000, 0.0065678600000000 ] - [ -0.0001970500000000, 0.0003859700000000, -0.0000414400000000 ] - [ -0.0003063000000000, -0.0011172200000000, -0.0022382000000000 ] - [ -0.0001622900000000, -0.0001521400000000, -0.0002027700000000 ] - [ 0.0000415300000000, -0.0010515400000000, -0.0003923300000000 ] - [ 0.0004235200000000, 0.0003773400000000, -0.0001319400000000 ] - [ 0.0001870500000000, -0.0016577000000000, -0.0061400900000000 ] - [ -0.0000845600000000, 0.0001768200000000, 0.0000286100000000 ] - [ 0.0001421000000000, 0.0001653600000000, -0.0001486200000000 ] - [ 0.0003043700000000, -0.0000371800000000, -0.0008407200000000 ] - [ 0.0005292700000000, 0.0000101100000000, 0.0011501000000000 ] - [ 0.0000775900000000, -0.0002457600000000, 0.0000055700000000 ] - [ -0.0001410800000000, -0.0010759600000000, 0.0003750500000000 ] - [ -0.0000695400000000, -0.0002120300000000, 0.0001029800000000 ] - [ 0.0011242500000000, -0.0012696300000000, -0.0016841400000000 ] - [ 0.0001099800000000, 0.0004602800000000, -0.0002270800000000 ] - [ 0.0006650300000000, 0.0003204700000000, -0.0008348900000000 ] - [ 0.0000414300000000, 0.0000416000000000, 0.0001226300000000 ] - [ -0.0008354800000000, -0.0002019600000000, 0.0009324200000000 ] - [ 0.0000196800000000, -0.0002035100000000, 0.0001779700000000 ] - [ -0.0001802600000000, -0.0003315600000000, 0.0005796200000000 ] - [ -0.0000253400000000, -0.0002612100000000, 0.0001613000000000 ] - [ 0.0013204900000000, 0.0009549300000000, -0.0003016100000000 ] - [ 0.0004955200000000, -0.0002647100000000, -0.0003053800000000 ] - [ -0.0001463900000000, -0.0002867400000000, 0.0007648100000000 ] - [ -0.0004819800000000, -0.0001121100000000, 0.0003991500000000 ] - [ -0.0019035300000000, 0.0003906800000000, 0.0001052600000000 ] - [ -0.0005125500000000, 0.0000006300000000, 0.0003118600000000 ] - [ 0.0001696900000000, -0.0004529300000000, -0.0004282600000000 ] - [ -0.0000451000000000, 0.0005139000000000, -0.0000808800000000 ] - [ -0.0004102600000000, 0.0023051300000000, -0.0052325300000000 ] - [ 0.0000700600000000, -0.0000324400000000, -0.0000685300000000 ] - [ 0.0000337700000000, 0.0001211400000000, 0.0002893500000000 ] - [ 0.0000153900000000, -0.0000792000000000, 0.0001939700000000 ] - [ -0.0006693500000000, 0.0000131200000000, -0.0000328200000000 ] - [ -0.0001524000000000, -0.0001359600000000, -0.0000271900000000 ] - [ -0.0008739000000000, 0.0004706800000000, 0.0008044100000000 ] - [ 0.0000506900000000, -0.0001071400000000, -0.0000040000000000 ] - [ 0.0383167900000000, 0.0003670600000000, -0.0140655000000000 ] - [ 0.0009347300000000, -0.0002641900000000, 0.0001208500000000 ] - [ -0.0001942300000000, -0.0008502500000000, -0.0002941900000000 ] - [ -0.0005388000000000, 0.0000933100000000, 0.0000078100000000 ] - [ -0.0017837800000000, 0.0016543500000000, 0.0007418800000000 ] - [ -0.0008812600000000, 0.0000194500000000, -0.0002478200000000 ] - [ 0.0007203500000000, 0.0003328000000000, 0.0011046900000000 ] - [ 0.0008080200000000, 0.0000112900000000, 0.0003948800000000 ] - [ -0.0004150200000000, -0.0001015900000000, 0.0024909300000000 ] - [ 0.0000210700000000, -0.0004458900000000, -0.0001475600000000 ] - [ -0.0002053800000000, -0.0001039300000000, 0.0005045300000000 ] - [ -0.0001030800000000, -0.0005023000000000, 0.0003351700000000 ] - [ 0.0008723000000000, 0.0008876100000000, -0.0008242900000000 ] - [ -0.0000345800000000, 0.0002775300000000, 0.0001661000000000 ] - [ -0.0004236900000000, 0.0029013300000000, -0.0027185800000000 ] - [ 0.0001196000000000, 0.0001396500000000, -0.0003395100000000 ] - [ 0.0296088300000000, 0.0158482500000000, -0.0065572500000000 ] - [ -0.0006501500000000, 0.0001957400000000, 0.0003477100000000 ] - [ 0.0005574400000000, 0.0002253400000000, -0.0004113100000000 ] - [ 0.0003910300000000, 0.0005395700000000, -0.0005450800000000 ] - [ 0.0010130500000000, 0.0007146300000000, -0.0016109000000000 ] - [ 0.0005735300000000, -0.0003914300000000, -0.0004036000000000 ] - [ -0.0008442800000000, -0.0003990400000000, 0.0012368700000000 ] - [ -0.0006696000000000, -0.0003027000000000, 0.0006135700000000 ] - [ -0.0009907600000000, 0.0004597300000000, 0.0011376500000000 ] - [ -0.0001362700000000, 0.0008247900000000, 0.0004729300000000 ] - [ 0.0000047300000000, 0.0003976000000000, -0.0012912600000000 ] - [ 0.0001038700000000, 0.0007209100000000, -0.0005241900000000 ] - [ 0.0000554500000000, -0.0006615500000000, 0.0004790200000000 ] - [ 0.0000971400000000, -0.0008383400000000, -0.0003256200000000 ] - [ -0.0001312900000000, -0.0002351000000000, -0.0000242500000000 ] - [ -0.0002373300000000, -0.0015205000000000, -0.0002736300000000 ]- atom: 33 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0021004700000000, 0.0012266800000000, -0.0015457400000000 ] - [ 0.0000121600000000, 0.0002563600000000, -0.0000064800000000 ] - [ 0.0001825900000000, 0.0000400500000000, 0.0000358500000000 ] - [ 0.0001583800000000, 0.0005592300000000, 0.0000418600000000 ] - [ 0.0044248000000000, -0.0008944400000000, 0.0005864700000000 ] - [ 0.0000889300000000, -0.0004235100000000, -0.0000143700000000 ] - [ -0.0001882400000000, -0.0003092200000000, 0.0003055100000000 ] - [ 0.0000042100000000, -0.0004730300000000, 0.0000866700000000 ] - [ 0.0001668700000000, -0.0003260400000000, -0.0002167800000000 ] - [ -0.0001488600000000, -0.0003324100000000, 0.0000767600000000 ] - [ 0.0001030900000000, -0.0001471000000000, 0.0001642700000000 ] - [ 0.0002404000000000, -0.0004239600000000, 0.0000122100000000 ] - [ 0.0028196700000000, 0.0006583800000000, 0.0010441700000000 ] - [ 0.0002346500000000, 0.0003885900000000, -0.0000436700000000 ] - [ 0.0001603200000000, 0.0016788700000000, 0.0003180100000000 ] - [ -0.0000553400000000, -0.0005437000000000, 0.0006008600000000 ] - [ -0.0007567900000000, -0.0014019300000000, 0.0043900600000000 ] - [ -0.0001296600000000, -0.0001424600000000, -0.0003142300000000 ] - [ 0.0005889100000000, -0.0003579200000000, 0.0005782600000000 ] - [ 0.0012329100000000, 0.0012611300000000, 0.0007951700000000 ] - [ 0.0004275700000000, 0.0001989200000000, 0.0006478900000000 ] - [ 0.0001460100000000, 0.0001631600000000, 0.0003439400000000 ] - [ -0.0000292500000000, -0.0010810400000000, -0.0012223800000000 ] - [ -0.0003214200000000, 0.0004662300000000, -0.0006793900000000 ] - [ 0.0020278600000000, 0.0018931600000000, -0.0068206000000000 ] - [ -0.0003247700000000, 0.0003627100000000, 0.0001655800000000 ] - [ 0.0004172000000000, 0.0004227100000000, 0.0000204800000000 ] - [ 0.0002828100000000, 0.0003341000000000, -0.0001360500000000 ] - [ 0.0049161800000000, -0.0025828000000000, -0.0005853700000000 ] - [ 0.0003028700000000, -0.0000966200000000, -0.0000945300000000 ] - [ -0.0006395400000000, -0.0003296100000000, 0.0004681400000000 ] - [ -0.0005050700000000, -0.0002657400000000, 0.0000975000000000 ] - [ -0.0297144400000000, -0.0037044800000000, 0.0075253400000000 ] - [ 0.0000918700000000, 0.0002577300000000, -0.0000470900000000 ] - [ -0.0001215900000000, 0.0001219000000000, -0.0004006000000000 ] - [ -0.0001228800000000, 0.0003193300000000, -0.0003064400000000 ] - [ -0.0011797500000000, 0.0003119700000000, 0.0041594600000000 ] - [ -0.0001882500000000, -0.0002298600000000, 0.0000414000000000 ] - [ 0.0002105200000000, -0.0003865100000000, -0.0004797400000000 ] - [ 0.0001225400000000, -0.0002349300000000, -0.0000968800000000 ] - [ 0.0000141800000000, 0.0002047300000000, -0.0002674900000000 ] - [ 0.0001080800000000, 0.0003101800000000, 0.0000697600000000 ] - [ -0.0014655700000000, -0.0002813500000000, 0.0011422900000000 ] - [ -0.0002663600000000, 0.0001952100000000, -0.0000715500000000 ] - [ 0.0001816300000000, -0.0004703500000000, -0.0058221500000000 ] - [ -0.0001434500000000, -0.0002776000000000, -0.0001279700000000 ] - [ -0.0023557500000000, -0.0023736500000000, -0.0019977100000000 ] - [ -0.0002230300000000, -0.0004750000000000, 0.0002746100000000 ] - [ 0.0001323500000000, 0.0002322400000000, -0.0001362200000000 ] - [ -0.0000691300000000, 0.0001953700000000, 0.0000404700000000 ] - [ 0.0001089900000000, 0.0004747000000000, -0.0002110500000000 ] - [ -0.0000177000000000, -0.0001068100000000, -0.0000689600000000 ] - [ -0.0001435900000000, 0.0000594700000000, 0.0005363200000000 ] - [ 0.0000754500000000, -0.0002349900000000, -0.0000202700000000 ] - [ 0.0000632700000000, -0.0002416400000000, -0.0001869100000000 ] - [ 0.0001692700000000, -0.0002018500000000, 0.0003469200000000 ] - [ 0.0006271100000000, 0.0002025800000000, 0.0003953900000000 ] - [ 0.0000575200000000, 0.0002232000000000, -0.0000945900000000 ] - [ 0.0000878300000000, 0.0002615700000000, 0.0007388900000000 ] - [ 0.0000138800000000, 0.0001710800000000, 0.0001063400000000 ] - [ 0.0030161900000000, 0.0018802400000000, 0.0009691500000000 ] - [ 0.0000083800000000, -0.0001232800000000, 0.0001656200000000 ] - [ 0.0005314400000000, -0.0000615100000000, 0.0001625100000000 ] - [ 0.0000848800000000, -0.0001574200000000, -0.0002128500000000 ] - [ 0.0004398400000000, -0.0004886700000000, 0.0002066600000000 ] - [ 0.0005436300000000, -0.0000103400000000, -0.0003789300000000 ] - [ -0.0015283900000000, -0.0000979700000000, 0.0006559300000000 ] - [ -0.0007242400000000, -0.0000561500000000, 0.0003574400000000 ] - [ -0.0004341300000000, 0.0001588000000000, -0.0004098400000000 ] - [ -0.0005393100000000, 0.0000568900000000, 0.0003359500000000 ] - [ 0.0004750700000000, 0.0000419600000000, -0.0002768100000000 ] - [ 0.0004308000000000, 0.0000573400000000, -0.0003060800000000 ] - [ -0.0009380300000000, -0.0000146400000000, 0.0014567800000000 ] - [ 0.0001053500000000, -0.0001181800000000, -0.0000408800000000 ] - [ -0.0005020700000000, -0.0001444300000000, -0.0003851800000000 ] - [ -0.0001328700000000, -0.0000267600000000, -0.0000034500000000 ] - [ -0.0008152500000000, 0.0000581500000000, -0.0003243700000000 ] - [ -0.0001735200000000, -0.0000970000000000, 0.0000047100000000 ] - [ 0.0001896100000000, -0.0002166100000000, 0.0003924400000000 ] - [ 0.0000910400000000, -0.0000591900000000, -0.0000757000000000 ] - [ 0.0104101900000000, 0.0006457400000000, 0.0009678500000000 ] - [ 0.0009119100000000, -0.0001837500000000, 0.0002124900000000 ] - [ -0.0009389500000000, -0.0001672400000000, -0.0001124100000000 ] - [ -0.0008505900000000, -0.0001455700000000, -0.0001670000000000 ] - [ 0.0012546100000000, 0.0011827500000000, -0.0006626800000000 ] - [ -0.0007534100000000, 0.0001165500000000, -0.0003437700000000 ] - [ 0.0008978000000000, 0.0005479600000000, 0.0007601800000000 ] - [ 0.0008943100000000, 0.0001951500000000, 0.0002934100000000 ] - [ 0.0095888900000000, 0.0038205600000000, -0.0082604400000000 ] - [ 0.0000953400000000, -0.0003434700000000, -0.0002029700000000 ] - [ -0.0006327200000000, 0.0005114100000000, 0.0007062100000000 ] - [ 0.0002037000000000, -0.0009644200000000, 0.0005311400000000 ] - [ 0.0000786300000000, 0.0000129600000000, 0.0002960700000000 ] - [ -0.0000501100000000, 0.0003146900000000, 0.0002250400000000 ] - [ 0.0003353300000000, 0.0003374300000000, 0.0004208400000000 ] - [ 0.0001247400000000, 0.0002897100000000, -0.0001696900000000 ] - [ -0.0017513000000000, -0.0005287700000000, 0.0012219200000000 ] - [ -0.0006281500000000, 0.0002618900000000, 0.0004146400000000 ] - [ 0.0005873600000000, 0.0002119600000000, -0.0005576400000000 ] - [ 0.0005977100000000, 0.0002506000000000, -0.0004868100000000 ] - [ -0.0019918300000000, -0.0001368200000000, 0.0000310600000000 ] - [ 0.0004852700000000, -0.0003010000000000, -0.0004384500000000 ] - [ -0.0004032300000000, -0.0002927900000000, 0.0001076800000000 ] - [ -0.0003856700000000, -0.0005431200000000, 0.0000451800000000 ] - [ -0.0001549900000000, 0.0009581900000000, -0.0001493600000000 ] - [ -0.0001366100000000, 0.0007463100000000, 0.0003566100000000 ] - [ -0.0009640200000000, 0.0008759900000000, -0.0007985700000000 ] - [ -0.0000256000000000, 0.0007146100000000, -0.0003608400000000 ] - [ -0.0000532100000000, -0.0005114300000000, -0.0012296300000000 ] - [ 0.0000874400000000, -0.0007984300000000, -0.0003972500000000 ] - [ -0.0004969400000000, -0.0015886600000000, 0.0009362200000000 ] - [ -0.0004572400000000, -0.0001712200000000, 0.0003762100000000 ]- atom: 33 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0021837000000000, -0.0003322900000000, 0.0016266700000000 ] - [ -0.0000890900000000, 0.0006495300000000, 0.0000609400000000 ] - [ -0.0000976000000000, 0.0008632300000000, -0.0000995700000000 ] - [ -0.0000800900000000, 0.0003422000000000, -0.0000975200000000 ] - [ -0.0043402300000000, -0.0000196800000000, -0.0006005200000000 ] - [ -0.0000103900000000, -0.0004812000000000, -0.0000377000000000 ] - [ 0.0001114900000000, -0.0005816800000000, -0.0002575500000000 ] - [ -0.0000832300000000, -0.0004357500000000, -0.0000324400000000 ] - [ -0.0005480300000000, -0.0004053300000000, 0.0003594000000000 ] - [ -0.0002317700000000, -0.0004019600000000, 0.0000505000000000 ] - [ 0.0002749500000000, -0.0005880300000000, -0.0002683100000000 ] - [ 0.0001395700000000, -0.0003101700000000, -0.0001355700000000 ] - [ -0.0024526600000000, 0.0000694100000000, -0.0012056200000000 ] - [ 0.0001462100000000, 0.0003428400000000, -0.0000824200000000 ] - [ -0.0005441600000000, -0.0009567200000000, -0.0001964100000000 ] - [ -0.0003178200000000, 0.0012894400000000, -0.0004893600000000 ] - [ 0.0006092900000000, 0.0011828900000000, -0.0050205200000000 ] - [ -0.0001221200000000, -0.0001525500000000, -0.0003411900000000 ] - [ -0.0003377300000000, 0.0000621200000000, 0.0000779400000000 ] - [ -0.0009765100000000, -0.0015299100000000, -0.0001393600000000 ] - [ -0.0001793400000000, 0.0000933300000000, 0.0000011700000000 ] - [ 0.0001040500000000, 0.0001276100000000, 0.0003087500000000 ] - [ -0.0002074100000000, 0.0013860100000000, 0.0005954500000000 ] - [ 0.0000744000000000, -0.0001744600000000, 0.0000320300000000 ] - [ -0.0025254200000000, -0.0012454200000000, 0.0072494700000000 ] - [ -0.0002680700000000, 0.0003065400000000, 0.0002068800000000 ] - [ 0.0001747600000000, 0.0002501500000000, -0.0003937800000000 ] - [ 0.0003100900000000, 0.0003305600000000, -0.0002389900000000 ] - [ -0.0042907500000000, 0.0018646800000000, 0.0002121600000000 ] - [ 0.0002886400000000, -0.0005713500000000, -0.0002751700000000 ] - [ 0.0000461300000000, -0.0004311400000000, -0.0000689300000000 ] - [ -0.0000857100000000, -0.0004042900000000, 0.0002722100000000 ] - [ 0.0298702800000000, 0.0041142500000000, -0.0077572500000000 ] - [ 0.0002235600000000, 0.0002520900000000, -0.0000137900000000 ] - [ -0.0001964200000000, 0.0003881000000000, 0.0004560000000000 ] - [ -0.0001988300000000, 0.0001872900000000, 0.0003581200000000 ] - [ 0.0008241100000000, -0.0007855800000000, -0.0040781600000000 ] - [ -0.0001277400000000, -0.0002826300000000, 0.0000217800000000 ] - [ 0.0001048300000000, -0.0001291700000000, 0.0004223100000000 ] - [ 0.0001928400000000, -0.0002747300000000, 0.0000356700000000 ] - [ 0.0002589200000000, 0.0003972300000000, 0.0005132900000000 ] - [ 0.0001695600000000, 0.0002761200000000, 0.0001777800000000 ] - [ 0.0011316000000000, 0.0007797200000000, -0.0014331100000000 ] - [ -0.0000108600000000, 0.0003936900000000, -0.0001741500000000 ] - [ -0.0005082800000000, -0.0001219400000000, 0.0054886500000000 ] - [ -0.0001338900000000, -0.0003131400000000, -0.0001196000000000 ] - [ 0.0026299500000000, 0.0017755400000000, 0.0022294100000000 ] - [ 0.0004943500000000, -0.0001188700000000, -0.0000276800000000 ] - [ -0.0002841600000000, 0.0001518800000000, 0.0002082600000000 ] - [ -0.0000844900000000, 0.0002016800000000, 0.0000260900000000 ] - [ 0.0000445100000000, -0.0000776700000000, 0.0001421300000000 ] - [ 0.0001749700000000, 0.0005049000000000, 0.0000045000000000 ] - [ 0.0003029800000000, -0.0004562200000000, -0.0005888200000000 ] - [ 0.0000775900000000, -0.0001601400000000, -0.0000458100000000 ] - [ -0.0002119200000000, -0.0001618200000000, 0.0002560800000000 ] - [ -0.0003243500000000, -0.0001947900000000, -0.0002775200000000 ] - [ -0.0006430600000000, 0.0001151300000000, -0.0007136700000000 ] - [ -0.0000714200000000, 0.0001083200000000, -0.0002176400000000 ] - [ -0.0000626600000000, 0.0000699700000000, -0.0003970900000000 ] - [ -0.0000014700000000, 0.0001592000000000, 0.0002043900000000 ] - [ -0.0028092200000000, -0.0021091600000000, -0.0006324500000000 ] - [ 0.0000046600000000, -0.0002057200000000, 0.0001458700000000 ] - [ -0.0005410700000000, -0.0002782200000000, -0.0004643300000000 ] - [ -0.0000964800000000, -0.0001708500000000, -0.0000968700000000 ] - [ 0.0005428900000000, 0.0003114700000000, -0.0008880700000000 ] - [ 0.0004651700000000, -0.0001328800000000, -0.0002970500000000 ] - [ 0.0005114900000000, -0.0000519400000000, 0.0000388700000000 ] - [ -0.0002858800000000, -0.0000860900000000, 0.0003209400000000 ] - [ -0.0005654700000000, -0.0000165000000000, 0.0010734100000000 ] - [ -0.0004699700000000, 0.0000879300000000, 0.0003401000000000 ] - [ 0.0005356400000000, 0.0000993200000000, -0.0004024600000000 ] - [ 0.0005753900000000, 0.0000909100000000, -0.0003716600000000 ] - [ 0.0010518000000000, 0.0000640000000000, -0.0015863300000000 ] - [ 0.0000500900000000, 0.0001422600000000, -0.0000523100000000 ] - [ 0.0003470700000000, 0.0001685300000000, 0.0004869900000000 ] - [ -0.0000249700000000, 0.0000504500000000, 0.0000988100000000 ] - [ 0.0006584100000000, -0.0000793500000000, 0.0004102800000000 ] - [ 0.0000199900000000, 0.0000732500000000, 0.0000849800000000 ] - [ -0.0000473600000000, 0.0002057300000000, -0.0005076300000000 ] - [ 0.0000645500000000, 0.0000380300000000, -0.0000163600000000 ] - [ -0.0086788500000000, -0.0008795000000000, -0.0002933200000000 ] - [ 0.0008042300000000, -0.0001564300000000, 0.0002485600000000 ] - [ -0.0007758100000000, -0.0001754700000000, -0.0003488000000000 ] - [ -0.0008645600000000, -0.0001897500000000, -0.0002950600000000 ] - [ -0.0029133800000000, -0.0008939000000000, 0.0002196100000000 ] - [ -0.0009613200000000, 0.0002251200000000, -0.0001202100000000 ] - [ 0.0008540100000000, -0.0001911400000000, -0.0003062700000000 ] - [ 0.0008220000000000, 0.0001451400000000, 0.0001699500000000 ] - [ -0.0095680100000000, -0.0044036400000000, 0.0077183600000000 ] - [ 0.0000219200000000, -0.0003232000000000, -0.0002512700000000 ] - [ 0.0005142800000000, -0.0011720100000000, -0.0002451100000000 ] - [ -0.0003154000000000, 0.0002890800000000, -0.0000681600000000 ] - [ -0.0001912500000000, 0.0006456200000000, 0.0001695100000000 ] - [ -0.0000659500000000, 0.0003555900000000, 0.0002295800000000 ] - [ -0.0002467500000000, 0.0003526500000000, -0.0008811300000000 ] - [ -0.0000074900000000, 0.0003769600000000, -0.0002866100000000 ] - [ 0.0005683500000000, 0.0010978000000000, -0.0004180700000000 ] - [ -0.0005497600000000, 0.0003009000000000, 0.0004075900000000 ] - [ 0.0005893300000000, 0.0003475700000000, -0.0002649600000000 ] - [ 0.0005796900000000, 0.0003150600000000, -0.0003382700000000 ] - [ 0.0031704100000000, -0.0004057200000000, -0.0008518400000000 ] - [ 0.0006922400000000, -0.0002615400000000, -0.0003845700000000 ] - [ -0.0007932700000000, -0.0002541400000000, 0.0007188200000000 ] - [ -0.0007945600000000, -0.0000163300000000, 0.0007822700000000 ] - [ -0.0000939900000000, 0.0005484400000000, 0.0008990200000000 ] - [ -0.0000922100000000, 0.0007849900000000, 0.0004068700000000 ] - [ 0.0011953800000000, 0.0006341900000000, 0.0000080600000000 ] - [ 0.0002552700000000, 0.0008157000000000, -0.0004041500000000 ] - [ 0.0002754100000000, -0.0010215500000000, 0.0004830400000000 ] - [ 0.0001429400000000, -0.0007283000000000, -0.0003647000000000 ] - [ 0.0002667600000000, 0.0000672400000000, -0.0001818200000000 ] - [ 0.0002253600000000, -0.0013676500000000, 0.0003856000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019177900000000, 0.0001999200000000, -0.0022117600000000 ] - [ -0.0001296800000000, 0.0011050800000000, 0.0000961200000000 ] - [ -0.0001575200000000, -0.0002003000000000, -0.0002880100000000 ] - [ 0.0000851600000000, 0.0010107300000000, 0.0001814200000000 ] - [ 0.0002446400000000, -0.0017825300000000, 0.0003854900000000 ] - [ 0.0000477300000000, 0.0002127600000000, -0.0000341000000000 ] - [ 0.0001873800000000, -0.0009264100000000, 0.0005501800000000 ] - [ -0.0001668500000000, 0.0000951500000000, -0.0002050900000000 ] - [ -0.0003365800000000, -0.0009020300000000, -0.0003434400000000 ] - [ -0.0001527800000000, -0.0000019800000000, 0.0000180400000000 ] - [ 0.0001880300000000, -0.0004448600000000, 0.0001728700000000 ] - [ 0.0001474700000000, -0.0000606500000000, -0.0002105800000000 ] - [ 0.0010761800000000, -0.0015002700000000, 0.0002722600000000 ] - [ 0.0002158600000000, 0.0008244800000000, -0.0001134600000000 ] - [ 0.0003167600000000, 0.0016256500000000, 0.0004680100000000 ] - [ -0.0010659000000000, 0.0010153100000000, -0.0002829300000000 ] - [ -0.0034140600000000, -0.0040474500000000, 0.0032377500000000 ] - [ -0.0000580500000000, 0.0004064200000000, -0.0002785800000000 ] - [ -0.0000127900000000, 0.0004256100000000, -0.0000805100000000 ] - [ 0.0003750700000000, 0.0003282500000000, 0.0003891100000000 ] - [ -0.0001119300000000, -0.0004720600000000, 0.0002910800000000 ] - [ 0.0002320200000000, 0.0005984700000000, 0.0004207700000000 ] - [ -0.0005670600000000, 0.0005117900000000, 0.0001795900000000 ] - [ -0.0003323300000000, 0.0006969700000000, -0.0008264600000000 ] - [ -0.0026388500000000, -0.0013726300000000, 0.0009098800000000 ] - [ -0.0002067700000000, 0.0008789000000000, 0.0000878000000000 ] - [ 0.0002388900000000, 0.0003161000000000, -0.0001212800000000 ] - [ 0.0002562900000000, 0.0005967900000000, 0.0000610400000000 ] - [ -0.0045157600000000, -0.0008886600000000, 0.0019896600000000 ] - [ 0.0005381500000000, 0.0001736300000000, -0.0002808500000000 ] - [ -0.0008865100000000, 0.0010839800000000, -0.0028521300000000 ] - [ -0.0004535400000000, 0.0002580600000000, 0.0004895800000000 ] - [ -0.0037144400000000, -0.0288802800000000, 0.0185925400000000 ] - [ 0.0001605200000000, 0.0008034000000000, -0.0000223000000000 ] - [ -0.0002197300000000, 0.0004102600000000, 0.0006509900000000 ] - [ -0.0000267900000000, 0.0004049700000000, -0.0001991500000000 ] - [ 0.0003504400000000, -0.0025231600000000, -0.0059858200000000 ] - [ -0.0001300200000000, 0.0002795900000000, 0.0002362500000000 ] - [ 0.0002873600000000, -0.0001794000000000, -0.0000096100000000 ] - [ 0.0001376500000000, -0.0000704900000000, -0.0000581300000000 ] - [ 0.0002214300000000, -0.0005214400000000, -0.0004438800000000 ] - [ 0.0001566300000000, 0.0007281900000000, 0.0002199100000000 ] - [ 0.0011734900000000, 0.0025882600000000, 0.0049963700000000 ] - [ -0.0000539600000000, 0.0009042800000000, -0.0002299500000000 ] - [ 0.0019120500000000, -0.0009857400000000, -0.0021868800000000 ] - [ -0.0001606700000000, 0.0002344700000000, -0.0000774000000000 ] - [ 0.0001840500000000, 0.0050448600000000, 0.0020260700000000 ] - [ 0.0013322200000000, 0.0021513500000000, -0.0005285600000000 ] - [ -0.0002852600000000, 0.0009140100000000, 0.0002397700000000 ] - [ -0.0000361300000000, -0.0001047300000000, 0.0000229500000000 ] - [ 0.0000386500000000, -0.0002722500000000, 0.0002610300000000 ] - [ -0.0002504900000000, -0.0004050700000000, -0.0004433800000000 ] - [ -0.0002275000000000, 0.0008909200000000, -0.0002988100000000 ] - [ 0.0001122000000000, -0.0005130500000000, -0.0000288000000000 ] - [ -0.0006967600000000, 0.0001875900000000, 0.0005225100000000 ] - [ -0.0001696500000000, -0.0007120500000000, -0.0002506100000000 ] - [ -0.0002541600000000, 0.0006413100000000, 0.0009035300000000 ] - [ 0.0000307100000000, -0.0001862200000000, -0.0003680900000000 ] - [ -0.0001050600000000, 0.0004448600000000, 0.0003156900000000 ] - [ 0.0000500700000000, -0.0000716500000000, 0.0002357400000000 ] - [ 0.0016270900000000, 0.0021897100000000, 0.0001329600000000 ] - [ -0.0000280200000000, -0.0005327400000000, 0.0001031900000000 ] - [ -0.0002754200000000, -0.0001020900000000, -0.0012499900000000 ] - [ -0.0000142900000000, -0.0006139600000000, 0.0003511500000000 ] - [ -0.0012231900000000, 0.0009007700000000, -0.0001338000000000 ] - [ 0.0006019400000000, -0.0006144900000000, -0.0002427700000000 ] - [ -0.0006567100000000, 0.0000180300000000, 0.0006609900000000 ] - [ -0.0004018800000000, -0.0004897100000000, 0.0001565000000000 ] - [ -0.0003359900000000, 0.0008888200000000, 0.0001818500000000 ] - [ -0.0005830900000000, -0.0003087600000000, 0.0004108000000000 ] - [ 0.0004359900000000, 0.0000747600000000, -0.0002598400000000 ] - [ 0.0005669900000000, -0.0001531100000000, -0.0003591900000000 ] - [ 0.0007061900000000, 0.0011555200000000, -0.0001627700000000 ] - [ 0.0000084600000000, -0.0004955700000000, -0.0000079000000000 ] - [ -0.0003848600000000, 0.0000557000000000, -0.0006049400000000 ] - [ -0.0000184700000000, -0.0003082900000000, 0.0001331700000000 ] - [ 0.0008331100000000, -0.0001262300000000, 0.0007863200000000 ] - [ -0.0001704400000000, -0.0003479900000000, 0.0000058200000000 ] - [ 0.0003168700000000, -0.0001307700000000, 0.0004604400000000 ] - [ 0.0000913200000000, -0.0003405000000000, -0.0000894100000000 ] - [ 0.0017233400000000, 0.0082904300000000, -0.0117481200000000 ] - [ 0.0008682600000000, -0.0005688300000000, 0.0001865800000000 ] - [ -0.0008194600000000, -0.0002553200000000, -0.0001945700000000 ] - [ -0.0009035700000000, -0.0003258300000000, -0.0002164800000000 ] - [ 0.0010384400000000, 0.0016505200000000, 0.0006343600000000 ] - [ -0.0009875600000000, -0.0002967300000000, -0.0001518500000000 ] - [ 0.0011414700000000, -0.0002107800000000, 0.0007774100000000 ] - [ 0.0008965200000000, -0.0001354900000000, 0.0001829500000000 ] - [ 0.0036762100000000, 0.0115189800000000, -0.0096224300000000 ] - [ -0.0000742000000000, -0.0008032700000000, -0.0002477200000000 ] - [ 0.0008204400000000, -0.0014391200000000, -0.0005760200000000 ] - [ -0.0003917000000000, -0.0006205300000000, 0.0003837400000000 ] - [ -0.0001071300000000, 0.0013275500000000, 0.0001309600000000 ] - [ -0.0001737300000000, -0.0000476400000000, 0.0001739500000000 ] - [ 0.0000686400000000, 0.0004488100000000, -0.0007139000000000 ] - [ 0.0001297200000000, 0.0000255500000000, -0.0001285300000000 ] - [ -0.0002531500000000, 0.0012142100000000, 0.0007086700000000 ] - [ -0.0006495100000000, -0.0001208800000000, 0.0004604500000000 ] - [ 0.0006418000000000, 0.0002390300000000, -0.0004389100000000 ] - [ 0.0006451300000000, 0.0002083800000000, -0.0004123200000000 ] - [ 0.0000033700000000, 0.0011368400000000, -0.0002063500000000 ] - [ 0.0005036700000000, -0.0006831600000000, -0.0003509200000000 ] - [ -0.0001892500000000, -0.0003617200000000, 0.0009483100000000 ] - [ -0.0005537100000000, -0.0007135700000000, 0.0000189300000000 ] - [ 0.0007042000000000, 0.0019126000000000, 0.0003451000000000 ] - [ -0.0001338600000000, 0.0003517400000000, 0.0004200100000000 ] - [ 0.0001707700000000, 0.0003784000000000, -0.0007013500000000 ] - [ 0.0001036800000000, 0.0003068200000000, -0.0002304800000000 ] - [ 0.0004489400000000, 0.0001182200000000, -0.0005957000000000 ] - [ 0.0000552700000000, -0.0012397200000000, -0.0004177600000000 ] - [ -0.0003265400000000, -0.0018011400000000, 0.0009440300000000 ] - [ 0.0001505000000000, -0.0011904600000000, 0.0002019600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020108800000000, 0.0007085800000000, 0.0022962000000000 ] - [ 0.0000503200000000, -0.0002061600000000, -0.0000415400000000 ] - [ 0.0002354100000000, 0.0011011600000000, 0.0002298500000000 ] - [ -0.0000067300000000, -0.0001111800000000, -0.0002377200000000 ] - [ -0.0001620700000000, 0.0008835200000000, -0.0004254500000000 ] - [ 0.0000310200000000, -0.0011202400000000, -0.0000180900000000 ] - [ -0.0002684400000000, 0.0000358500000000, -0.0005033900000000 ] - [ 0.0000858000000000, -0.0010054400000000, 0.0002558700000000 ] - [ -0.0000417700000000, 0.0001777300000000, 0.0004748000000000 ] - [ -0.0002285200000000, -0.0007346700000000, 0.0001082200000000 ] - [ 0.0001935600000000, -0.0002928700000000, -0.0002905800000000 ] - [ 0.0002328800000000, -0.0006746000000000, 0.0000876500000000 ] - [ -0.0007024700000000, 0.0022500600000000, -0.0004125900000000 ] - [ 0.0001640700000000, -0.0000946500000000, -0.0000124100000000 ] - [ -0.0007024800000000, -0.0009035600000000, -0.0003478300000000 ] - [ 0.0006746200000000, -0.0002818500000000, 0.0003988700000000 ] - [ 0.0032030700000000, 0.0038502900000000, -0.0038494200000000 ] - [ -0.0001950600000000, -0.0007023900000000, -0.0003781500000000 ] - [ 0.0002661500000000, -0.0007231900000000, 0.0007392000000000 ] - [ -0.0001212800000000, -0.0006222800000000, 0.0002668200000000 ] - [ 0.0003631200000000, 0.0007749400000000, 0.0003619700000000 ] - [ 0.0000177700000000, -0.0003097900000000, 0.0002314900000000 ] - [ 0.0003186400000000, -0.0002265200000000, -0.0008163500000000 ] - [ 0.0000844600000000, -0.0004068800000000, 0.0001790300000000 ] - [ 0.0021590300000000, 0.0020411200000000, -0.0005712200000000 ] - [ -0.0003872500000000, -0.0002117200000000, 0.0002848200000000 ] - [ 0.0003537300000000, 0.0003577700000000, -0.0002506600000000 ] - [ 0.0003363800000000, 0.0000656900000000, -0.0004329300000000 ] - [ 0.0051662700000000, 0.0002178300000000, -0.0023894900000000 ] - [ 0.0000555900000000, -0.0008470600000000, -0.0000898200000000 ] - [ 0.0002915600000000, -0.0018190700000000, 0.0031938500000000 ] - [ -0.0001377400000000, -0.0009313200000000, -0.0001223600000000 ] - [ 0.0038887900000000, 0.0292115400000000, -0.0186945800000000 ] - [ 0.0001547600000000, -0.0002950300000000, -0.0000387900000000 ] - [ -0.0000949100000000, 0.0001011900000000, -0.0005993100000000 ] - [ -0.0002904600000000, 0.0000959600000000, 0.0002539400000000 ] - [ -0.0006781200000000, 0.0020624700000000, 0.0061214700000000 ] - [ -0.0001851600000000, -0.0007920800000000, -0.0001715600000000 ] - [ 0.0000297300000000, -0.0003369700000000, -0.0000487500000000 ] - [ 0.0001777800000000, -0.0004394800000000, -0.0000034600000000 ] - [ 0.0000520000000000, 0.0011290800000000, 0.0006956800000000 ] - [ 0.0001218200000000, -0.0001447500000000, 0.0000281000000000 ] - [ -0.0014676100000000, -0.0020752200000000, -0.0052298300000000 ] - [ -0.0002239100000000, -0.0003182700000000, -0.0000148900000000 ] - [ -0.0022523100000000, 0.0003838000000000, 0.0019419300000000 ] - [ -0.0001160100000000, -0.0008276600000000, -0.0001703800000000 ] - [ 0.0000984200000000, -0.0057249500000000, -0.0018057300000000 ] - [ -0.0010382200000000, -0.0027133200000000, 0.0007650900000000 ] - [ 0.0001321100000000, -0.0005331900000000, -0.0001652300000000 ] - [ -0.0001176600000000, 0.0005030300000000, 0.0000436100000000 ] - [ 0.0001150700000000, 0.0006721200000000, -0.0003318900000000 ] - [ 0.0004026700000000, 0.0008047400000000, 0.0003732700000000 ] - [ 0.0003881400000000, -0.0013003800000000, 0.0002413100000000 ] - [ 0.0000403500000000, 0.0001196000000000, -0.0000375100000000 ] - [ 0.0005257800000000, -0.0005181900000000, -0.0004468600000000 ] - [ 0.0000156200000000, 0.0003174800000000, 0.0003207700000000 ] - [ 0.0002470800000000, -0.0003223500000000, -0.0012287100000000 ] - [ -0.0000422800000000, 0.0005190900000000, 0.0000542300000000 ] - [ 0.0001294800000000, -0.0001125800000000, 0.0000236600000000 ] - [ -0.0000380000000000, 0.0004032800000000, 0.0000742900000000 ] - [ -0.0016168900000000, -0.0025417600000000, 0.0001800800000000 ] - [ 0.0000407600000000, 0.0002054200000000, 0.0002084700000000 ] - [ 0.0002658500000000, -0.0002310200000000, 0.0009537600000000 ] - [ 0.0000006500000000, 0.0002838000000000, -0.0006539800000000 ] - [ 0.0022140600000000, -0.0010893200000000, -0.0005536400000000 ] - [ 0.0004109100000000, 0.0004717500000000, -0.0004339300000000 ] - [ -0.0003539000000000, -0.0001596400000000, 0.0000225100000000 ] - [ -0.0006098700000000, 0.0003491600000000, 0.0005226000000000 ] - [ -0.0006646800000000, -0.0007539900000000, 0.0004930600000000 ] - [ -0.0004264800000000, 0.0004555000000000, 0.0002648200000000 ] - [ 0.0005756800000000, 0.0000663500000000, -0.0004192000000000 ] - [ 0.0004390500000000, 0.0003045300000000, -0.0003159300000000 ] - [ -0.0005520000000000, -0.0011329300000000, 0.0000592000000000 ] - [ 0.0001481300000000, 0.0005215300000000, -0.0000857100000000 ] - [ 0.0002329200000000, -0.0000347000000000, 0.0007063600000000 ] - [ -0.0001383200000000, 0.0003345900000000, -0.0000385200000000 ] - [ -0.0010017600000000, 0.0001038400000000, -0.0007056300000000 ] - [ 0.0000154900000000, 0.0003294200000000, 0.0000851800000000 ] - [ -0.0001723000000000, 0.0001165500000000, -0.0005711200000000 ] - [ 0.0000644400000000, 0.0003206300000000, -0.0000026700000000 ] - [ -0.0000403100000000, -0.0083686200000000, 0.0122877200000000 ] - [ 0.0008483400000000, 0.0002303400000000, 0.0002745700000000 ] - [ -0.0008966200000000, -0.0000877600000000, -0.0002668000000000 ] - [ -0.0008114900000000, -0.0000064700000000, -0.0002479200000000 ] - [ -0.0026719200000000, -0.0014690300000000, -0.0010441700000000 ] - [ -0.0007292200000000, 0.0006423800000000, -0.0003076200000000 ] - [ 0.0005981400000000, 0.0005780500000000, -0.0003304600000000 ] - [ 0.0008187000000000, 0.0004778000000000, 0.0002813800000000 ] - [ -0.0035198500000000, -0.0120948400000000, 0.0090298300000000 ] - [ 0.0001918000000000, 0.0001384900000000, -0.0002065100000000 ] - [ -0.0009480200000000, 0.0007849300000000, 0.0010421100000000 ] - [ 0.0002697200000000, -0.0000444300000000, 0.0000765900000000 ] - [ -0.0000089000000000, -0.0006750400000000, 0.0003303600000000 ] - [ 0.0000578400000000, 0.0007197300000000, 0.0002797000000000 ] - [ 0.0000296400000000, 0.0002486300000000, 0.0002604700000000 ] - [ -0.0000125200000000, 0.0006427900000000, -0.0003284600000000 ] - [ -0.0009325800000000, -0.0006584200000000, 0.0001052000000000 ] - [ -0.0005273400000000, 0.0006859600000000, 0.0003609600000000 ] - [ 0.0005352100000000, 0.0003207600000000, -0.0003840500000000 ] - [ 0.0005320200000000, 0.0003593700000000, -0.0004114600000000 ] - [ 0.0011816000000000, -0.0016997100000000, -0.0006154000000000 ] - [ 0.0006744900000000, 0.0001241100000000, -0.0004727100000000 ] - [ -0.0009952900000000, -0.0001839200000000, -0.0001180200000000 ] - [ -0.0006240000000000, 0.0001544600000000, 0.0008080900000000 ] - [ -0.0009416500000000, -0.0004087400000000, 0.0004097700000000 ] - [ -0.0000943200000000, 0.0011818100000000, 0.0003446900000000 ] - [ 0.0000582600000000, 0.0011492500000000, -0.0000706300000000 ] - [ 0.0001258800000000, 0.0012250000000000, -0.0005350300000000 ] - [ -0.0002270400000000, -0.0016560600000000, -0.0001609400000000 ] - [ 0.0001754800000000, -0.0002846400000000, -0.0003439300000000 ] - [ 0.0000971400000000, 0.0002823100000000, -0.0001884600000000 ] - [ -0.0003786600000000, -0.0003362800000000, 0.0005569100000000 ]- atom: 33 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0003906400000000, -0.0001370700000000, -0.0011123400000000 ] - [ -0.0000256700000000, 0.0006633200000000, -0.0000629200000000 ] - [ 0.0012112300000000, 0.0002460900000000, 0.0005703100000000 ] - [ 0.0000917100000000, 0.0005272900000000, 0.0000402200000000 ] - [ -0.0015589700000000, -0.0000950000000000, -0.0008881700000000 ] - [ 0.0000169600000000, -0.0004207500000000, -0.0000720200000000 ] - [ 0.0002449700000000, 0.0005640300000000, 0.0002127600000000 ] - [ -0.0000829100000000, -0.0008527400000000, 0.0007412500000000 ] - [ -0.0005802000000000, -0.0007698500000000, 0.0022272000000000 ] - [ -0.0001795500000000, -0.0003121400000000, 0.0001735100000000 ] - [ 0.0009056600000000, -0.0006930000000000, 0.0005047600000000 ] - [ 0.0002155400000000, -0.0003933100000000, 0.0000450300000000 ] - [ -0.0002832900000000, -0.0000757700000000, -0.0011430000000000 ] - [ 0.0001881500000000, 0.0003470600000000, -0.0001150600000000 ] - [ -0.0001695100000000, 0.0003031300000000, -0.0001747400000000 ] - [ 0.0001642800000000, 0.0006167700000000, -0.0009793400000000 ] - [ 0.0075344100000000, 0.0070337000000000, 0.0104134500000000 ] - [ -0.0000590300000000, -0.0001792300000000, -0.0002921000000000 ] - [ 0.0000315000000000, -0.0001291100000000, 0.0001775700000000 ] - [ -0.0002001000000000, -0.0005353300000000, -0.0001729600000000 ] - [ 0.0006962400000000, 0.0002175700000000, 0.0013758500000000 ] - [ 0.0001993700000000, 0.0001581900000000, 0.0004345200000000 ] - [ -0.0009413000000000, 0.0014396500000000, -0.0009901900000000 ] - [ -0.0003579000000000, -0.0001464500000000, -0.0003880900000000 ] - [ -0.0144191800000000, 0.0002162500000000, 0.0108038600000000 ] - [ -0.0002802200000000, 0.0003815700000000, 0.0001773300000000 ] - [ 0.0003477900000000, -0.0000150100000000, 0.0001250400000000 ] - [ 0.0004078300000000, 0.0005515900000000, 0.0005402500000000 ] - [ -0.0001814700000000, 0.0003156200000000, -0.0013661500000000 ] - [ 0.0002944700000000, -0.0004037400000000, -0.0003268600000000 ] - [ -0.0000332500000000, -0.0091964500000000, 0.0037772200000000 ] - [ -0.0002740800000000, -0.0000108000000000, 0.0002203400000000 ] - [ 0.0156698000000000, 0.0184512900000000, -0.2222780800000000 ] - [ 0.0001626200000000, 0.0002621500000000, -0.0001203300000000 ] - [ -0.0004830000000000, 0.0005109400000000, 0.0001330500000000 ] - [ -0.0005739100000000, -0.0003555200000000, 0.0001023900000000 ] - [ 0.0040976500000000, -0.0061768100000000, 0.0023146700000000 ] - [ -0.0001390800000000, -0.0000704700000000, -0.0000226900000000 ] - [ -0.0002672000000000, -0.0002304500000000, 0.0031057600000000 ] - [ 0.0001074400000000, -0.0002362700000000, 0.0001490800000000 ] - [ -0.0000311300000000, 0.0001342300000000, 0.0012291000000000 ] - [ 0.0001171600000000, 0.0003003800000000, 0.0003135700000000 ] - [ 0.0045874600000000, 0.0111461300000000, 0.0089609100000000 ] - [ -0.0001920900000000, 0.0002119000000000, -0.0000740500000000 ] - [ -0.0083245900000000, -0.0024981900000000, 0.0042139400000000 ] - [ -0.0001452500000000, -0.0002411800000000, -0.0001929400000000 ] - [ 0.0003346600000000, -0.0002239200000000, -0.0009573200000000 ] - [ 0.0000628700000000, -0.0003700100000000, -0.0001455800000000 ] - [ 0.0005114600000000, 0.0002934200000000, -0.0016903200000000 ] - [ -0.0000578200000000, 0.0001564500000000, -0.0000171800000000 ] - [ 0.0000804100000000, 0.0002950500000000, -0.0000626700000000 ] - [ -0.0002292500000000, -0.0004733200000000, -0.0007428700000000 ] - [ 0.0010819200000000, -0.0008122500000000, -0.0001489200000000 ] - [ 0.0000839700000000, -0.0001796900000000, -0.0000152700000000 ] - [ -0.0001362100000000, 0.0000530700000000, 0.0010159900000000 ] - [ -0.0001679300000000, -0.0003177800000000, 0.0001854900000000 ] - [ 0.0001968000000000, 0.0015120100000000, -0.0005651900000000 ] - [ -0.0000467600000000, -0.0000572400000000, -0.0002251200000000 ] - [ -0.0005478900000000, 0.0000104000000000, -0.0021972500000000 ] - [ 0.0000028800000000, 0.0001567600000000, 0.0000906000000000 ] - [ -0.0009146800000000, -0.0007403400000000, 0.0010187300000000 ] - [ 0.0000117000000000, -0.0001757100000000, 0.0002075900000000 ] - [ 0.0002791700000000, -0.0016150000000000, 0.0001711600000000 ] - [ 0.0000305800000000, 0.0000415600000000, -0.0000398200000000 ] - [ 0.0006514300000000, 0.0005694100000000, 0.0011691600000000 ] - [ 0.0004551100000000, -0.0000697400000000, -0.0002489000000000 ] - [ -0.0001036600000000, -0.0000346500000000, 0.0003542100000000 ] - [ -0.0004925000000000, -0.0000963900000000, 0.0003501600000000 ] - [ -0.0018686000000000, 0.0002918100000000, 0.0001607000000000 ] - [ -0.0005261500000000, 0.0000481200000000, 0.0003280700000000 ] - [ 0.0008046200000000, -0.0000268700000000, -0.0007112800000000 ] - [ 0.0008882500000000, -0.0000779800000000, -0.0007820300000000 ] - [ 0.0004874100000000, -0.0000832300000000, 0.0014635300000000 ] - [ 0.0000717300000000, 0.0000118600000000, -0.0000043900000000 ] - [ -0.0000686800000000, -0.0000943300000000, 0.0000565700000000 ] - [ -0.0002859000000000, 0.0001965100000000, 0.0000106400000000 ] - [ 0.0000043100000000, 0.0002038500000000, 0.0001035900000000 ] - [ -0.0002186200000000, -0.0001485900000000, 0.0001282600000000 ] - [ -0.0004924600000000, 0.0009199100000000, -0.0021549400000000 ] - [ 0.0000736400000000, -0.0000343300000000, -0.0000878000000000 ] - [ -0.0012842000000000, -0.0015461000000000, 0.0870165000000000 ] - [ 0.0008439600000000, -0.0001955800000000, 0.0002820200000000 ] - [ -0.0006963400000000, -0.0000010300000000, -0.0007242700000000 ] - [ -0.0005943400000000, -0.0000279600000000, -0.0008179100000000 ] - [ -0.0004083800000000, -0.0014245300000000, 0.0027719000000000 ] - [ -0.0008462700000000, 0.0002546400000000, -0.0000298500000000 ] - [ 0.0030323900000000, 0.0021905000000000, -0.0022991900000000 ] - [ 0.0010072500000000, 0.0000364700000000, 0.0001390200000000 ] - [ -0.0080714400000000, -0.0178424400000000, 0.1004761700000000 ] - [ 0.0000395300000000, -0.0003668700000000, -0.0001984200000000 ] - [ 0.0000042400000000, -0.0003267800000000, 0.0005944900000000 ] - [ -0.0000744900000000, -0.0000417200000000, 0.0004530700000000 ] - [ -0.0003779800000000, 0.0010225100000000, -0.0010059300000000 ] - [ -0.0000840800000000, 0.0002786700000000, 0.0000323500000000 ] - [ 0.0020805900000000, -0.0025018500000000, -0.0023568200000000 ] - [ 0.0000771200000000, 0.0004204500000000, -0.0003353000000000 ] - [ 0.0007161700000000, 0.0006871200000000, -0.0003443700000000 ] - [ -0.0005859600000000, 0.0002158200000000, 0.0004095800000000 ] - [ 0.0004093700000000, 0.0002080400000000, -0.0005961700000000 ] - [ 0.0000450900000000, 0.0004246300000000, -0.0007333900000000 ] - [ 0.0013011100000000, -0.0000670200000000, 0.0000000700000000 ] - [ 0.0006160200000000, -0.0003113700000000, -0.0003228900000000 ] - [ -0.0019707500000000, 0.0012943500000000, 0.0002850800000000 ] - [ -0.0007675300000000, -0.0003985000000000, 0.0004723000000000 ] - [ -0.0010638500000000, -0.0002279700000000, -0.0013369200000000 ] - [ -0.0001101500000000, 0.0007181300000000, 0.0002161200000000 ] - [ 0.0005349200000000, 0.0005958300000000, -0.0002617700000000 ] - [ 0.0001548500000000, 0.0007705200000000, -0.0003546600000000 ] - [ -0.0010974000000000, -0.0006985100000000, -0.0007113600000000 ] - [ 0.0000921500000000, -0.0007870600000000, -0.0004132100000000 ] - [ -0.0000287100000000, -0.0008363000000000, 0.0006301300000000 ] - [ 0.0000325800000000, -0.0010691400000000, 0.0007351300000000 ]- atom: 33 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0003143200000000, 0.0010362800000000, 0.0011445500000000 ] - [ -0.0000538500000000, 0.0002389100000000, 0.0001149900000000 ] - [ -0.0011359100000000, 0.0006598000000000, -0.0006228600000000 ] - [ -0.0000129500000000, 0.0003760500000000, -0.0000928600000000 ] - [ 0.0016289800000000, -0.0008003800000000, 0.0008217400000000 ] - [ 0.0000617700000000, -0.0004816400000000, 0.0000178600000000 ] - [ -0.0003272700000000, -0.0014719500000000, -0.0001586600000000 ] - [ 0.0000027300000000, -0.0000467900000000, -0.0006886700000000 ] - [ 0.0001975400000000, 0.0000342300000000, -0.0021030200000000 ] - [ -0.0002016600000000, -0.0004198800000000, -0.0000494700000000 ] - [ -0.0005214100000000, -0.0000395500000000, -0.0006356300000000 ] - [ 0.0001651100000000, -0.0003402500000000, -0.0001710800000000 ] - [ 0.0006674800000000, 0.0008044100000000, 0.0010291300000000 ] - [ 0.0001928000000000, 0.0003864900000000, -0.0000093200000000 ] - [ -0.0002100200000000, 0.0004357400000000, 0.0003014200000000 ] - [ -0.0005480700000000, 0.0001171200000000, 0.0011074700000000 ] - [ -0.0078557700000000, -0.0073636600000000, -0.0112347500000000 ] - [ -0.0001920700000000, -0.0001126400000000, -0.0003613100000000 ] - [ 0.0002196100000000, -0.0001629100000000, 0.0004738400000000 ] - [ 0.0004508100000000, 0.0002365900000000, 0.0008261200000000 ] - [ -0.0004453100000000, 0.0000730600000000, -0.0007229400000000 ] - [ 0.0000520400000000, 0.0001353200000000, 0.0002192300000000 ] - [ 0.0006782500000000, -0.0011388900000000, 0.0003261200000000 ] - [ 0.0001038100000000, 0.0004382600000000, -0.0002697500000000 ] - [ 0.0136488800000000, 0.0004479100000000, -0.0102555800000000 ] - [ -0.0003128000000000, 0.0002890800000000, 0.0001926400000000 ] - [ 0.0002463200000000, 0.0006839800000000, -0.0004957500000000 ] - [ 0.0001867300000000, 0.0001200100000000, -0.0009099000000000 ] - [ 0.0007645000000000, -0.0009822600000000, 0.0010065300000000 ] - [ 0.0002988700000000, -0.0002670000000000, -0.0000451400000000 ] - [ -0.0005725900000000, 0.0085865600000000, -0.0034418800000000 ] - [ -0.0003200500000000, -0.0006610600000000, 0.0001511400000000 ] - [ -0.0154416800000000, -0.0193146700000000, 0.2229414500000000 ] - [ 0.0001528100000000, 0.0002483500000000, 0.0000584300000000 ] - [ 0.0001695600000000, -0.0000028900000000, -0.0000682500000000 ] - [ 0.0002605300000000, 0.0008685200000000, -0.0000370100000000 ] - [ -0.0043726600000000, 0.0056171000000000, -0.0022374900000000 ] - [ -0.0001763200000000, -0.0004387600000000, 0.0000827800000000 ] - [ 0.0005850000000000, -0.0002762900000000, -0.0031638800000000 ] - [ 0.0002081900000000, -0.0002752200000000, -0.0002111100000000 ] - [ 0.0003101000000000, 0.0004512600000000, -0.0009821800000000 ] - [ 0.0001594900000000, 0.0002916400000000, -0.0000680800000000 ] - [ -0.0048147300000000, -0.0104606000000000, -0.0090977000000000 ] - [ -0.0000851100000000, 0.0003779300000000, -0.0001729700000000 ] - [ 0.0081531300000000, 0.0019421200000000, -0.0045140700000000 ] - [ -0.0001317900000000, -0.0003489600000000, -0.0000529000000000 ] - [ -0.0000549200000000, -0.0003527700000000, 0.0012135100000000 ] - [ 0.0002105700000000, -0.0002220700000000, 0.0003935100000000 ] - [ -0.0006658200000000, 0.0001038900000000, 0.0017634600000000 ] - [ -0.0000954400000000, 0.0002390900000000, 0.0000840200000000 ] - [ 0.0000725800000000, 0.0001009500000000, -0.0000035500000000 ] - [ 0.0003817100000000, 0.0008696600000000, 0.0006692700000000 ] - [ -0.0009374900000000, 0.0004188100000000, 0.0000790000000000 ] - [ 0.0000692100000000, -0.0002165400000000, -0.0000525600000000 ] - [ -0.0000139900000000, -0.0004346600000000, -0.0009508600000000 ] - [ 0.0000141000000000, -0.0000791600000000, -0.0001202900000000 ] - [ -0.0002086400000000, -0.0011709900000000, 0.0002524400000000 ] - [ 0.0000342600000000, 0.0003857500000000, -0.0000853400000000 ] - [ 0.0005583000000000, 0.0003173300000000, 0.0025148100000000 ] - [ 0.0000095400000000, 0.0001734300000000, 0.0002201800000000 ] - [ 0.0010190800000000, 0.0004444700000000, -0.0006812800000000 ] - [ 0.0000005000000000, -0.0001546700000000, 0.0001027900000000 ] - [ -0.0002927200000000, 0.0012969200000000, -0.0004862500000000 ] - [ -0.0000438000000000, -0.0003736200000000, -0.0002741700000000 ] - [ 0.0003276100000000, -0.0007335600000000, -0.0018518800000000 ] - [ 0.0005552400000000, -0.0000737600000000, -0.0004289100000000 ] - [ -0.0009054500000000, -0.0001091200000000, 0.0003167800000000 ] - [ -0.0005175700000000, -0.0000479400000000, 0.0003256200000000 ] - [ 0.0008523400000000, -0.0001466800000000, 0.0005162700000000 ] - [ -0.0004845400000000, 0.0000952500000000, 0.0003489000000000 ] - [ 0.0002061600000000, 0.0001728200000000, 0.0000347500000000 ] - [ 0.0001260700000000, 0.0002178700000000, 0.0001043600000000 ] - [ -0.0003999200000000, 0.0001355200000000, -0.0015556200000000 ] - [ 0.0000842200000000, 0.0000095500000000, -0.0000884300000000 ] - [ -0.0000902000000000, 0.0001177500000000, 0.0000311100000000 ] - [ 0.0001305500000000, -0.0001750900000000, 0.0000814400000000 ] - [ -0.0001563600000000, -0.0002255800000000, -0.0000050700000000 ] - [ 0.0000610500000000, 0.0001260200000000, -0.0000344700000000 ] - [ 0.0006491300000000, -0.0009427300000000, 0.0020597900000000 ] - [ 0.0000822200000000, 0.0000120400000000, -0.0000054500000000 ] - [ 0.0031840000000000, 0.0012922300000000, -0.0818376200000000 ] - [ 0.0008717000000000, -0.0001448700000000, 0.0001804600000000 ] - [ -0.0010210800000000, -0.0003377400000000, 0.0002609800000000 ] - [ -0.0011228900000000, -0.0003157900000000, 0.0003537000000000 ] - [ -0.0013038700000000, 0.0017700200000000, -0.0032383500000000 ] - [ -0.0008702600000000, 0.0000849400000000, -0.0004326400000000 ] - [ -0.0013170400000000, -0.0018599100000000, 0.0027703200000000 ] - [ 0.0007079400000000, 0.0003053200000000, 0.0003226500000000 ] - [ 0.0081809800000000, 0.0183156100000000, -0.1063753200000000 ] - [ 0.0000778100000000, -0.0003001900000000, -0.0002580500000000 ] - [ -0.0001196600000000, -0.0003440700000000, -0.0001446400000000 ] - [ -0.0000448000000000, -0.0006230400000000, -0.0000005000000000 ] - [ 0.0002584900000000, -0.0003528200000000, 0.0014627100000000 ] - [ -0.0000337200000000, 0.0003868800000000, 0.0004226000000000 ] - [ -0.0019494800000000, 0.0031458900000000, 0.0018839100000000 ] - [ 0.0000402900000000, 0.0002475000000000, -0.0001197000000000 ] - [ -0.0018865000000000, -0.0001221400000000, 0.0011615800000000 ] - [ -0.0005917200000000, 0.0003458400000000, 0.0004133200000000 ] - [ 0.0007686200000000, 0.0003544200000000, -0.0002267700000000 ] - [ 0.0011319800000000, 0.0001362500000000, -0.0000889100000000 ] - [ -0.0001246900000000, -0.0005013900000000, -0.0008273500000000 ] - [ 0.0005617300000000, -0.0002505700000000, -0.0005001200000000 ] - [ 0.0007971300000000, -0.0018604500000000, 0.0005363100000000 ] - [ -0.0004079400000000, -0.0001630400000000, 0.0003472800000000 ] - [ 0.0008256400000000, 0.0017424000000000, 0.0020959400000000 ] - [ -0.0001197100000000, 0.0008087500000000, 0.0005466600000000 ] - [ -0.0003039000000000, 0.0009386300000000, -0.0004922000000000 ] - [ 0.0000745900000000, 0.0007572900000000, -0.0004075200000000 ] - [ 0.0013363700000000, -0.0008287300000000, -0.0000535000000000 ] - [ 0.0001379400000000, -0.0007417300000000, -0.0003509600000000 ] - [ -0.0002011400000000, -0.0006976400000000, 0.0001380400000000 ] - [ -0.0002617100000000, -0.0004564100000000, 0.0000285200000000 ]- atom: 41 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0003071700000000, 0.0008662600000000, 0.0008531500000000 ] - [ -0.0000131400000000, 0.0004009800000000, 0.0000514200000000 ] - [ 0.0003235900000000, 0.0010671700000000, -0.0000850300000000 ] - [ 0.0004136400000000, 0.0003038600000000, 0.0000712600000000 ] - [ 0.0009167100000000, -0.0005504400000000, 0.0000310000000000 ] - [ 0.0001143900000000, -0.0003099600000000, 0.0000110800000000 ] - [ 0.0027484600000000, -0.0006326700000000, -0.0016244500000000 ] - [ 0.0000455900000000, -0.0004784800000000, -0.0000108900000000 ] - [ 0.0035161700000000, -0.0013958100000000, 0.0011304300000000 ] - [ -0.0001656000000000, -0.0003577900000000, 0.0001140500000000 ] - [ 0.0003851900000000, -0.0002076000000000, 0.0000996700000000 ] - [ 0.0019318700000000, 0.0002626200000000, 0.0003614100000000 ] - [ 0.0004292100000000, 0.0005057900000000, 0.0007349900000000 ] - [ 0.0002431400000000, 0.0002948800000000, -0.0000089700000000 ] - [ 0.0003620700000000, 0.0000541400000000, 0.0002962400000000 ] - [ -0.0001432000000000, 0.0003406000000000, 0.0001195300000000 ] - [ 0.0009552900000000, -0.0007806400000000, -0.0011893200000000 ] - [ -0.0001359200000000, -0.0001219200000000, -0.0004297800000000 ] - [ 0.0004900600000000, -0.0004523000000000, 0.0006164600000000 ] - [ 0.0000865000000000, -0.0000510400000000, 0.0002951500000000 ] - [ 0.0055436400000000, 0.0047449700000000, 0.0050508300000000 ] - [ 0.0001835200000000, 0.0000342900000000, 0.0003140800000000 ] - [ 0.0003022300000000, -0.0000756500000000, -0.0000784300000000 ] - [ -0.0005403800000000, 0.0008490100000000, 0.0007663400000000 ] - [ -0.0008396000000000, -0.0004531600000000, 0.0034888400000000 ] - [ -0.0003554400000000, 0.0003751100000000, 0.0002061600000000 ] - [ 0.0097618300000000, -0.0106908800000000, 0.0012574200000000 ] - [ 0.0002523600000000, 0.0004067200000000, -0.0001376000000000 ] - [ 0.0006516100000000, -0.0002657400000000, 0.0000993800000000 ] - [ 0.0003011100000000, -0.0003619400000000, -0.0001594800000000 ] - [ 0.0000077200000000, -0.0005372500000000, -0.0000154300000000 ] - [ -0.0006221800000000, 0.0001542400000000, 0.0001758700000000 ] - [ 0.0000360800000000, 0.0003441900000000, -0.0002590000000000 ] - [ 0.0001268900000000, 0.0002713000000000, -0.0000652000000000 ] - [ -0.0014375300000000, -0.0010404800000000, 0.0044678600000000 ] - [ -0.0002873200000000, 0.0001687100000000, -0.0000702400000000 ] - [ 0.0001785900000000, 0.0018529900000000, -0.0086394000000000 ] - [ -0.0001630000000000, -0.0002787000000000, 0.0000226200000000 ] - [ -0.0002062400000000, -0.0014538400000000, -0.0002295700000000 ] - [ -0.0023060500000000, -0.0002790000000000, -0.0006568200000000 ] - [ -0.0509242700000000, 0.0666836100000000, -0.0120830400000000 ] - [ 0.0001143800000000, 0.0002020500000000, 0.0001103700000000 ] - [ -0.0005586400000000, 0.0004782300000000, -0.0002666900000000 ] - [ -0.0005564000000000, -0.0001290100000000, -0.0001403400000000 ] - [ -0.0012437500000000, 0.0001440900000000, -0.0009842400000000 ] - [ -0.0001094600000000, -0.0004959300000000, -0.0000473600000000 ] - [ -0.0005768300000000, -0.0003713700000000, -0.0014841200000000 ] - [ 0.0000914800000000, -0.0003440100000000, 0.0000968200000000 ] - [ 0.0151973300000000, -0.0275928900000000, -0.0027362300000000 ] - [ -0.0000644400000000, 0.0002173500000000, 0.0000570700000000 ] - [ 0.0000595400000000, 0.0008406500000000, 0.0002756700000000 ] - [ 0.0001035500000000, 0.0001545500000000, -0.0000203800000000 ] - [ 0.0009208600000000, -0.0009349900000000, 0.0000306700000000 ] - [ 0.0000600800000000, -0.0001490200000000, -0.0000436900000000 ] - [ -0.0000529500000000, -0.0001574300000000, 0.0000549000000000 ] - [ -0.0001225000000000, -0.0006291600000000, 0.0002740400000000 ] - [ 0.0018915800000000, 0.0013850400000000, 0.0005353000000000 ] - [ 0.0000238200000000, 0.0002433300000000, -0.0001491000000000 ] - [ 0.0006810500000000, -0.0005173200000000, 0.0003660800000000 ] - [ -0.0000528000000000, 0.0003716400000000, 0.0001375700000000 ] - [ 0.0001925800000000, -0.0002779700000000, 0.0001380100000000 ] - [ -0.0000419700000000, -0.0001062500000000, 0.0001007500000000 ] - [ 0.0003450900000000, -0.0010687500000000, 0.0016864600000000 ] - [ -0.0000013900000000, -0.0001104200000000, -0.0001295400000000 ] - [ 0.0001527700000000, -0.0000458300000000, -0.0003869100000000 ] - [ 0.0005133300000000, -0.0000426200000000, -0.0003477200000000 ] - [ -0.0004410600000000, -0.0002315400000000, 0.0002553200000000 ] - [ -0.0007915800000000, 0.0002027800000000, 0.0002444500000000 ] - [ -0.0020973300000000, -0.0010621900000000, 0.0010865600000000 ] - [ -0.0006089000000000, 0.0000840600000000, 0.0003350900000000 ] - [ -0.0020472900000000, -0.0021312400000000, -0.0007580700000000 ] - [ 0.0003617100000000, 0.0002080700000000, -0.0003280700000000 ] - [ 0.0000169700000000, -0.0000009700000000, -0.0002924500000000 ] - [ 0.0000574000000000, -0.0000430400000000, -0.0001010900000000 ] - [ -0.0010843800000000, 0.0005529100000000, -0.0008284800000000 ] - [ -0.0000841400000000, 0.0000408700000000, 0.0000534800000000 ] - [ -0.0012920600000000, 0.0001478000000000, -0.0000562900000000 ] - [ -0.0000961600000000, -0.0000206000000000, 0.0000257900000000 ] - [ -0.0004313200000000, 0.0001560700000000, 0.0000039700000000 ] - [ -0.0000683800000000, -0.0003307500000000, 0.0002071100000000 ] - [ 0.0018821400000000, -0.0005726000000000, 0.0001170000000000 ] - [ 0.0009541000000000, -0.0001322000000000, 0.0002364300000000 ] - [ 0.0165026700000000, -0.0291534200000000, 0.0108336000000000 ] - [ -0.0006309100000000, -0.0000429300000000, -0.0001898200000000 ] - [ -0.0002844500000000, 0.0002785200000000, 0.0007846700000000 ] - [ -0.0008376100000000, 0.0001894500000000, -0.0002268800000000 ] - [ 0.0009155800000000, 0.0004747600000000, 0.0006332800000000 ] - [ 0.0018827000000000, 0.0008005300000000, -0.0003972100000000 ] - [ 0.0001818100000000, -0.0001704700000000, 0.0002861800000000 ] - [ 0.0001803200000000, -0.0002389100000000, -0.0002484600000000 ] - [ 0.0000819900000000, -0.0001572500000000, -0.0000331800000000 ] - [ -0.0000087900000000, -0.0003513800000000, 0.0002795800000000 ] - [ 0.0047490700000000, -0.0002930400000000, -0.0000193900000000 ] - [ -0.0000302900000000, 0.0003931100000000, 0.0002304500000000 ] - [ 0.0000617100000000, 0.0009015500000000, -0.0008757700000000 ] - [ 0.0007196900000000, 0.0000712400000000, 0.0000011700000000 ] - [ -0.0016814000000000, 0.0001880400000000, -0.0012416900000000 ] - [ -0.0005757900000000, 0.0002753300000000, 0.0003800000000000 ] - [ -0.0006913200000000, 0.0008415300000000, -0.0003145000000000 ] - [ 0.0004773700000000, 0.0003246700000000, -0.0005290000000000 ] - [ 0.0001544600000000, -0.0003992500000000, -0.0008678800000000 ] - [ 0.0005627200000000, -0.0002724000000000, -0.0004383300000000 ] - [ -0.0007593800000000, -0.0002983600000000, 0.0004185200000000 ] - [ -0.0012647900000000, -0.0003375000000000, 0.0007823700000000 ] - [ -0.0020036400000000, 0.0012648100000000, 0.0008117600000000 ] - [ -0.0001590800000000, 0.0007515600000000, 0.0003922500000000 ] - [ -0.0000496600000000, 0.0005597200000000, -0.0003803000000000 ] - [ -0.0000796100000000, 0.0005798600000000, -0.0010215900000000 ] - [ -0.0006628300000000, -0.0013919100000000, -0.0011833300000000 ] - [ 0.0000476700000000, -0.0007051200000000, -0.0003858100000000 ] - [ -0.0002459200000000, -0.0004945900000000, -0.0000228400000000 ] - [ -0.0002230300000000, -0.0007257100000000, 0.0003214400000000 ]- atom: 41 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0003731200000000, 0.0000409400000000, -0.0007973800000000 ] - [ -0.0000656000000000, 0.0004995900000000, 0.0000011000000000 ] - [ -0.0002394900000000, -0.0001573900000000, 0.0000302700000000 ] - [ -0.0003414500000000, 0.0005937400000000, -0.0001184600000000 ] - [ -0.0008328800000000, -0.0003497500000000, -0.0000863300000000 ] - [ -0.0000361100000000, -0.0005984200000000, -0.0000656500000000 ] - [ -0.0028509000000000, -0.0002662800000000, 0.0017035500000000 ] - [ -0.0001240000000000, -0.0004266200000000, 0.0000635300000000 ] - [ -0.0038941300000000, 0.0006944500000000, -0.0010145600000000 ] - [ -0.0002153700000000, -0.0003779800000000, 0.0000112800000000 ] - [ -0.0000014000000000, -0.0005251900000000, -0.0002213800000000 ] - [ -0.0015656800000000, -0.0010081500000000, -0.0004944600000000 ] - [ -0.0000490100000000, 0.0002283200000000, -0.0008534600000000 ] - [ 0.0001367300000000, 0.0004381600000000, -0.0001162900000000 ] - [ -0.0007447800000000, 0.0006774300000000, -0.0001679900000000 ] - [ -0.0002375500000000, 0.0003921900000000, 0.0000054600000000 ] - [ -0.0011949500000000, 0.0005029100000000, 0.0005377400000000 ] - [ -0.0001153900000000, -0.0001736800000000, -0.0002225500000000 ] - [ -0.0002443100000000, 0.0001620100000000, 0.0000290100000000 ] - [ 0.0001642300000000, -0.0002414400000000, 0.0003580700000000 ] - [ -0.0052077500000000, -0.0043899700000000, -0.0043516300000000 ] - [ 0.0000662400000000, 0.0002578400000000, 0.0003394400000000 ] - [ -0.0005494500000000, 0.0003659100000000, -0.0005726300000000 ] - [ 0.0003030900000000, -0.0005590000000000, -0.0014327100000000 ] - [ 0.0002503200000000, 0.0011167500000000, -0.0030787100000000 ] - [ -0.0002376900000000, 0.0002933900000000, 0.0001651300000000 ] - [ -0.0091207900000000, 0.0111742900000000, -0.0015821800000000 ] - [ 0.0003407400000000, 0.0002637200000000, -0.0002326700000000 ] - [ -0.0000563900000000, -0.0004051700000000, -0.0004783100000000 ] - [ 0.0002915800000000, -0.0003093300000000, -0.0002120500000000 ] - [ -0.0005964600000000, -0.0001343800000000, 0.0003819400000000 ] - [ 0.0000389500000000, -0.0008309000000000, 0.0001961700000000 ] - [ 0.0002790300000000, 0.0001684100000000, 0.0001974100000000 ] - [ 0.0001882300000000, 0.0002376300000000, 0.0000027400000000 ] - [ 0.0011234400000000, 0.0015425800000000, -0.0044836900000000 ] - [ -0.0000300600000000, 0.0003399100000000, 0.0001306200000000 ] - [ -0.0004776200000000, -0.0023348700000000, 0.0085933500000000 ] - [ -0.0001532700000000, -0.0002334400000000, 0.0000391100000000 ] - [ 0.0005151800000000, 0.0009237000000000, 0.0001685400000000 ] - [ 0.0026629100000000, -0.0002149200000000, 0.0006085200000000 ] - [ 0.0505821800000000, -0.0661993300000000, 0.0121120700000000 ] - [ 0.0001624100000000, 0.0003860300000000, 0.0001361400000000 ] - [ 0.0002760100000000, 0.0001137600000000, 0.0000185400000000 ] - [ 0.0002768100000000, 0.0007147300000000, -0.0001020400000000 ] - [ 0.0009600800000000, -0.0007363100000000, 0.0007223300000000 ] - [ -0.0001681200000000, -0.0000909900000000, -0.0002027000000000 ] - [ 0.0008536000000000, -0.0002212900000000, 0.0017412300000000 ] - [ 0.0001850600000000, -0.0002472500000000, 0.0001490600000000 ] - [ -0.0153985200000000, 0.0286890100000000, 0.0028610100000000 ] - [ -0.0000886800000000, 0.0001795700000000, 0.0000090300000000 ] - [ 0.0000975600000000, -0.0004407300000000, -0.0003431200000000 ] - [ 0.0000500100000000, 0.0002412900000000, -0.0000469100000000 ] - [ -0.0007710800000000, 0.0005348300000000, -0.0001074900000000 ] - [ 0.0000933500000000, -0.0002468400000000, -0.0000227300000000 ] - [ -0.0001003400000000, -0.0002380100000000, 0.0000125300000000 ] - [ -0.0000302300000000, 0.0002352000000000, -0.0002086500000000 ] - [ -0.0018851700000000, -0.0010493700000000, -0.0007842400000000 ] - [ -0.0000363400000000, 0.0000879600000000, -0.0001619900000000 ] - [ -0.0006627200000000, 0.0008378000000000, -0.0000539200000000 ] - [ 0.0000703700000000, -0.0000475000000000, 0.0001697500000000 ] - [ -0.0001786500000000, -0.0000527500000000, 0.0001751300000000 ] - [ 0.0000553400000000, -0.0002232000000000, 0.0002126900000000 ] - [ -0.0003656200000000, 0.0007446600000000, -0.0020165200000000 ] - [ -0.0000116300000000, -0.0002184000000000, -0.0001811700000000 ] - [ 0.0008569300000000, -0.0000991000000000, -0.0002955000000000 ] - [ 0.0004967800000000, -0.0001003400000000, -0.0003291500000000 ] - [ -0.0005673500000000, 0.0000864300000000, 0.0004205300000000 ] - [ -0.0002078700000000, -0.0003526200000000, 0.0004350300000000 ] - [ 0.0010780000000000, 0.0011934400000000, -0.0004032200000000 ] - [ -0.0003999800000000, 0.0000627200000000, 0.0003412100000000 ] - [ 0.0030770800000000, 0.0022873600000000, 0.0000868800000000 ] - [ 0.0006472400000000, -0.0000624500000000, -0.0003487000000000 ] - [ 0.0001376700000000, 0.0000209800000000, 0.0001979300000000 ] - [ 0.0000983500000000, 0.0000667400000000, 0.0000092800000000 ] - [ 0.0009327700000000, -0.0005226000000000, 0.0009137100000000 ] - [ -0.0000714800000000, -0.0000178600000000, 0.0000394000000000 ] - [ 0.0011322800000000, -0.0001721800000000, 0.0001582500000000 ] - [ -0.0000598300000000, -0.0000007700000000, 0.0000669800000000 ] - [ 0.0005652200000000, -0.0001702100000000, -0.0000935900000000 ] - [ 0.0002226300000000, 0.0003159300000000, -0.0003041400000000 ] - [ -0.0001535500000000, 0.0002265400000000, 0.0003432900000000 ] - [ 0.0007623000000000, -0.0002069000000000, 0.0002256500000000 ] - [ -0.0183339800000000, 0.0281642200000000, -0.0109395600000000 ] - [ -0.0010836700000000, -0.0002963600000000, -0.0002726700000000 ] - [ -0.0014310500000000, 0.0000576400000000, -0.0012531500000000 ] - [ -0.0008788900000000, 0.0001526800000000, -0.0002349600000000 ] - [ 0.0007989500000000, -0.0001284800000000, -0.0001645800000000 ] - [ -0.0001842900000000, -0.0004694600000000, 0.0008674700000000 ] - [ -0.0000677000000000, -0.0004999700000000, -0.0007374000000000 ] - [ -0.0000653300000000, -0.0004290100000000, -0.0002062400000000 ] - [ -0.0002022800000000, -0.0005068900000000, 0.0004973200000000 ] - [ -0.0001082100000000, -0.0003156000000000, 0.0001766100000000 ] - [ -0.0042611600000000, 0.0011137900000000, 0.0003044100000000 ] - [ -0.0000866300000000, 0.0002750500000000, 0.0002235600000000 ] - [ 0.0000560500000000, -0.0002285400000000, 0.0004117600000000 ] - [ -0.0006111100000000, 0.0005981000000000, -0.0004601100000000 ] - [ 0.0004842600000000, 0.0003669600000000, 0.0020601100000000 ] - [ -0.0006023600000000, 0.0002882500000000, 0.0004430300000000 ] - [ 0.0018958800000000, -0.0002727600000000, -0.0005216000000000 ] - [ 0.0006970500000000, 0.0002396400000000, -0.0002952500000000 ] - [ 0.0010215500000000, -0.0001648300000000, 0.0000460900000000 ] - [ 0.0006148900000000, -0.0002886200000000, -0.0003841500000000 ] - [ -0.0004202500000000, -0.0002630200000000, 0.0004056300000000 ] - [ 0.0000886500000000, -0.0002201600000000, 0.0000347500000000 ] - [ 0.0017677800000000, 0.0002477600000000, -0.0000555300000000 ] - [ -0.0000700600000000, 0.0007792800000000, 0.0003707000000000 ] - [ 0.0002776500000000, 0.0009661600000000, -0.0003838400000000 ] - [ 0.0003095500000000, 0.0009535800000000, 0.0002691100000000 ] - [ 0.0008874300000000, -0.0001443100000000, 0.0004170300000000 ] - [ 0.0001835200000000, -0.0008222100000000, -0.0003784400000000 ] - [ 0.0000132300000000, -0.0010362100000000, 0.0007870200000000 ] - [ -0.0000074300000000, -0.0008017000000000, 0.0004411400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006973000000000, -0.0015550300000000, -0.0005239300000000 ] - [ -0.0000703900000000, 0.0012854200000000, 0.0000270000000000 ] - [ -0.0000089100000000, 0.0007558400000000, 0.0003308600000000 ] - [ -0.0004956000000000, 0.0011871700000000, -0.0003128200000000 ] - [ -0.0002416400000000, -0.0001405400000000, -0.0005583800000000 ] - [ -0.0000444500000000, 0.0001079300000000, -0.0000028400000000 ] - [ 0.0006094700000000, -0.0025606900000000, -0.0007961100000000 ] - [ -0.0000531200000000, 0.0004958100000000, 0.0001295700000000 ] - [ -0.0037784000000000, -0.0025084400000000, -0.0007644700000000 ] - [ -0.0001318200000000, 0.0002488200000000, 0.0000311400000000 ] - [ 0.0000241000000000, 0.0001388900000000, -0.0003312400000000 ] - [ 0.0004701600000000, 0.0000121200000000, 0.0005635100000000 ] - [ 0.0007863700000000, -0.0001556100000000, 0.0002149800000000 ] - [ 0.0001861500000000, 0.0009453400000000, -0.0002415900000000 ] - [ -0.0002697600000000, 0.0000053900000000, -0.0002728600000000 ] - [ -0.0002717900000000, 0.0008441400000000, 0.0001322600000000 ] - [ -0.0016672900000000, -0.0011322300000000, 0.0008757000000000 ] - [ -0.0000137700000000, 0.0005422500000000, -0.0001928600000000 ] - [ -0.0002377500000000, -0.0003264300000000, -0.0000232200000000 ] - [ 0.0000180300000000, 0.0003811600000000, 0.0002116400000000 ] - [ 0.0016813000000000, 0.0003475400000000, 0.0015674200000000 ] - [ 0.0001273300000000, 0.0010075900000000, 0.0004289300000000 ] - [ -0.0006781000000000, 0.0009300200000000, -0.0008395500000000 ] - [ 0.0002667300000000, 0.0001088400000000, 0.0008214500000000 ] - [ -0.0007809000000000, 0.0013832800000000, -0.0060854200000000 ] - [ -0.0001454100000000, 0.0012457900000000, 0.0003279500000000 ] - [ -0.0124486000000000, -0.0005992300000000, 0.0036777300000000 ] - [ 0.0001865200000000, 0.0012511900000000, -0.0001275100000000 ] - [ 0.0000621600000000, -0.0018335200000000, 0.0006075900000000 ] - [ 0.0004162000000000, 0.0003404600000000, -0.0002953200000000 ] - [ -0.0007684100000000, 0.0002515500000000, 0.0007321000000000 ] - [ 0.0004316300000000, -0.0000062400000000, -0.0003645200000000 ] - [ 0.0000603300000000, -0.0005703800000000, -0.0002320300000000 ] - [ 0.0001747500000000, 0.0006910900000000, -0.0000206500000000 ] - [ 0.0003203800000000, 0.0025646500000000, -0.0111852300000000 ] - [ -0.0000582100000000, 0.0008659200000000, 0.0001523500000000 ] - [ -0.0003475600000000, -0.0009420800000000, -0.0023765400000000 ] - [ -0.0001395500000000, 0.0002752600000000, 0.0000938100000000 ] - [ 0.0003343800000000, 0.0021731400000000, 0.0001084000000000 ] - [ 0.0022271100000000, 0.0050936100000000, 0.0006075100000000 ] - [ 0.0668305400000000, -0.1494212900000000, 0.0275562000000000 ] - [ 0.0000468300000000, 0.0012332400000000, 0.0001234500000000 ] - [ 0.0002798200000000, 0.0009743000000000, -0.0006642500000000 ] - [ -0.0003151400000000, 0.0009710700000000, 0.0006300600000000 ] - [ 0.0003099700000000, 0.0011932500000000, 0.0018562200000000 ] - [ -0.0003431400000000, 0.0008402000000000, -0.0006029800000000 ] - [ 0.0002091300000000, -0.0013327700000000, -0.0004655500000000 ] - [ 0.0001869600000000, 0.0004003400000000, 0.0001534800000000 ] - [ -0.0313970600000000, 0.0687765700000000, 0.0061604000000000 ] - [ -0.0000048000000000, -0.0003437200000000, -0.0000169400000000 ] - [ 0.0004777200000000, 0.0002176100000000, -0.0008626300000000 ] - [ -0.0000315000000000, -0.0002441100000000, 0.0000713300000000 ] - [ -0.0000930100000000, 0.0003513400000000, -0.0006316100000000 ] - [ 0.0001512000000000, -0.0006373100000000, 0.0000437400000000 ] - [ -0.0001380600000000, -0.0005597300000000, 0.0000245500000000 ] - [ -0.0001538500000000, -0.0001235100000000, 0.0001418800000000 ] - [ 0.0007993000000000, 0.0001383400000000, 0.0010602600000000 ] - [ -0.0000714100000000, -0.0003050900000000, -0.0002233300000000 ] - [ -0.0007348100000000, -0.0005883300000000, 0.0002053100000000 ] - [ 0.0003158400000000, -0.0012168400000000, -0.0001019100000000 ] - [ -0.0001999200000000, -0.0002603900000000, -0.0002312900000000 ] - [ 0.0000384300000000, -0.0004324300000000, 0.0002954000000000 ] - [ -0.0011720600000000, 0.0010940600000000, 0.0001968200000000 ] - [ 0.0000503700000000, -0.0006095300000000, -0.0001423900000000 ] - [ 0.0005425900000000, 0.0008708700000000, -0.0005034000000000 ] - [ 0.0003966000000000, -0.0005718700000000, -0.0002401700000000 ] - [ -0.0005995100000000, -0.0003955300000000, 0.0002322200000000 ] - [ 0.0002238600000000, -0.0007692400000000, 0.0007417400000000 ] - [ -0.0005086900000000, 0.0001167000000000, 0.0005338500000000 ] - [ -0.0004804400000000, -0.0003759300000000, 0.0003043700000000 ] - [ -0.0005441800000000, 0.0009962100000000, -0.0000341400000000 ] - [ 0.0007029800000000, -0.0005686000000000, -0.0004420600000000 ] - [ 0.0001819600000000, -0.0001091300000000, 0.0002066600000000 ] - [ 0.0000403800000000, -0.0002661900000000, -0.0000603600000000 ] - [ 0.0015647000000000, 0.0017787700000000, 0.0008092800000000 ] - [ -0.0000463000000000, -0.0005339100000000, 0.0000172300000000 ] - [ -0.0000293000000000, 0.0011095400000000, 0.0001901700000000 ] - [ -0.0001240700000000, -0.0005067400000000, 0.0000700300000000 ] - [ 0.0015794700000000, -0.0009705300000000, -0.0004587500000000 ] - [ -0.0001286400000000, -0.0005409400000000, -0.0000065200000000 ] - [ 0.0001374800000000, 0.0001145400000000, 0.0016366200000000 ] - [ 0.0009491700000000, -0.0007483600000000, -0.0000908800000000 ] - [ -0.0236409700000000, 0.0706642000000000, -0.0263633700000000 ] - [ -0.0009434500000000, -0.0008811300000000, -0.0002039000000000 ] - [ -0.0005548400000000, 0.0011746900000000, 0.0002816900000000 ] - [ -0.0008421500000000, -0.0003203400000000, -0.0003430100000000 ] - [ 0.0009799700000000, -0.0007303000000000, -0.0002155100000000 ] - [ -0.0001795200000000, -0.0014100100000000, 0.0014254500000000 ] - [ 0.0004755100000000, -0.0000649100000000, -0.0009402200000000 ] - [ -0.0002356800000000, -0.0009744500000000, 0.0000081600000000 ] - [ -0.0002676300000000, 0.0001137600000000, 0.0013009400000000 ] - [ 0.0000503100000000, -0.0008237800000000, 0.0001486500000000 ] - [ -0.0027472100000000, 0.0023137700000000, 0.0007535200000000 ] - [ -0.0002351200000000, -0.0003618400000000, 0.0002190700000000 ] - [ 0.0002906900000000, -0.0008608100000000, 0.0005594800000000 ] - [ -0.0001446100000000, -0.0005351900000000, -0.0013134500000000 ] - [ 0.0009912600000000, 0.0013945800000000, 0.0025921000000000 ] - [ -0.0007360700000000, -0.0002236500000000, 0.0004165500000000 ] - [ 0.0008168200000000, 0.0009952900000000, -0.0009332300000000 ] - [ 0.0007192800000000, -0.0004710400000000, -0.0003592100000000 ] - [ 0.0004636100000000, 0.0002731200000000, -0.0002534600000000 ] - [ 0.0005068200000000, -0.0007587800000000, -0.0003082200000000 ] - [ -0.0003879300000000, -0.0007284900000000, 0.0001663000000000 ] - [ -0.0006380000000000, -0.0003804900000000, 0.0009578600000000 ] - [ 0.0006319100000000, 0.0029651600000000, -0.0005452500000000 ] - [ -0.0001712500000000, 0.0000591500000000, 0.0003358900000000 ] - [ 0.0002427500000000, 0.0003198000000000, -0.0001545200000000 ] - [ 0.0001313700000000, 0.0006053300000000, -0.0007029700000000 ] - [ 0.0002085400000000, -0.0002896900000000, -0.0006371600000000 ] - [ 0.0001324700000000, -0.0014225000000000, -0.0002969700000000 ] - [ -0.0002851900000000, -0.0001938400000000, 0.0003593700000000 ] - [ 0.0000399600000000, -0.0013423300000000, 0.0004684900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007705300000000, 0.0024593300000000, 0.0005791700000000 ] - [ -0.0000081400000000, -0.0003859100000000, 0.0000255300000000 ] - [ 0.0000924500000000, 0.0001475900000000, -0.0003847300000000 ] - [ 0.0005755400000000, -0.0002843200000000, 0.0002613500000000 ] - [ 0.0003205700000000, -0.0007614200000000, 0.0005065900000000 ] - [ 0.0001234100000000, -0.0010109800000000, -0.0000508400000000 ] - [ -0.0006905200000000, 0.0016600600000000, 0.0008513600000000 ] - [ -0.0000256500000000, -0.0014004200000000, -0.0000766600000000 ] - [ 0.0034003500000000, 0.0017817200000000, 0.0008904800000000 ] - [ -0.0002498900000000, -0.0009822000000000, 0.0000949100000000 ] - [ 0.0003587300000000, -0.0008735900000000, 0.0002076700000000 ] - [ -0.0000872900000000, -0.0007445000000000, -0.0006878700000000 ] - [ -0.0004035900000000, 0.0008895800000000, -0.0003388900000000 ] - [ 0.0001946700000000, -0.0002125700000000, 0.0001171300000000 ] - [ -0.0001106000000000, 0.0007274500000000, 0.0003995200000000 ] - [ -0.0001087300000000, -0.0001110500000000, -0.0000074900000000 ] - [ 0.0014190100000000, 0.0008431400000000, -0.0015315600000000 ] - [ -0.0002381800000000, -0.0008365800000000, -0.0004613200000000 ] - [ 0.0004906300000000, 0.0000340600000000, 0.0006762200000000 ] - [ 0.0002339200000000, -0.0006740600000000, 0.0004427900000000 ] - [ -0.0014181700000000, -0.0000564200000000, -0.0009163200000000 ] - [ 0.0001242300000000, -0.0007166000000000, 0.0002247700000000 ] - [ 0.0004287000000000, -0.0006384100000000, 0.0001870300000000 ] - [ -0.0005218000000000, 0.0001891300000000, -0.0014832800000000 ] - [ 0.0001797700000000, -0.0007005100000000, 0.0064467400000000 ] - [ -0.0004478600000000, -0.0005811900000000, 0.0000405100000000 ] - [ 0.0131465400000000, 0.0012558900000000, -0.0040552000000000 ] - [ 0.0004073600000000, -0.0005806900000000, -0.0002427600000000 ] - [ 0.0005313100000000, 0.0011643000000000, -0.0009773700000000 ] - [ 0.0001768600000000, -0.0010118700000000, -0.0000752700000000 ] - [ 0.0001767200000000, -0.0009226600000000, -0.0003635400000000 ] - [ -0.0010303000000000, -0.0006643400000000, 0.0007391400000000 ] - [ 0.0002552500000000, 0.0010802600000000, 0.0001689500000000 ] - [ 0.0001406800000000, -0.0001816500000000, -0.0000415400000000 ] - [ -0.0006125500000000, -0.0020992000000000, 0.0113185600000000 ] - [ -0.0002581700000000, -0.0003564800000000, -0.0000911800000000 ] - [ 0.0000284600000000, 0.0004273000000000, 0.0024415100000000 ] - [ -0.0001758100000000, -0.0007866900000000, -0.0000323000000000 ] - [ -0.0000233100000000, -0.0026910400000000, -0.0001697400000000 ] - [ -0.0019297200000000, -0.0056761400000000, -0.0006701300000000 ] - [ -0.0664261900000000, 0.1503391700000000, -0.0292902900000000 ] - [ 0.0002309100000000, -0.0006459100000000, 0.0001225700000000 ] - [ -0.0005576900000000, -0.0003815700000000, 0.0004164800000000 ] - [ 0.0000407900000000, -0.0003849500000000, -0.0008794700000000 ] - [ -0.0005930200000000, -0.0017728300000000, -0.0021015500000000 ] - [ 0.0000675500000000, -0.0014346100000000, 0.0003600700000000 ] - [ 0.0000658200000000, 0.0007457700000000, 0.0007103600000000 ] - [ 0.0000900100000000, -0.0009913800000000, 0.0000926200000000 ] - [ 0.0295732000000000, -0.0655211000000000, -0.0059420900000000 ] - [ -0.0001488300000000, 0.0007426500000000, 0.0000840600000000 ] - [ -0.0003281400000000, 0.0001798900000000, 0.0007996100000000 ] - [ 0.0001848100000000, 0.0006405000000000, -0.0001386100000000 ] - [ 0.0002529400000000, -0.0007466100000000, 0.0005830700000000 ] - [ 0.0000019200000000, 0.0002422300000000, -0.0001113200000000 ] - [ -0.0000150400000000, 0.0001644200000000, 0.0000429400000000 ] - [ 0.0000001600000000, -0.0002745100000000, -0.0000737800000000 ] - [ -0.0008263000000000, 0.0002352100000000, -0.0012994600000000 ] - [ 0.0000590900000000, 0.0006366200000000, -0.0000872300000000 ] - [ 0.0007449900000000, 0.0009123500000000, 0.0001059500000000 ] - [ -0.0003044800000000, 0.0015499600000000, 0.0004113200000000 ] - [ 0.0002124100000000, -0.0000698700000000, 0.0005398100000000 ] - [ -0.0000265300000000, 0.0001037500000000, 0.0000150000000000 ] - [ 0.0011550800000000, -0.0014311600000000, -0.0004999700000000 ] - [ -0.0000629200000000, 0.0002809500000000, -0.0001684400000000 ] - [ 0.0004674300000000, -0.0010143600000000, -0.0001759900000000 ] - [ 0.0006143000000000, 0.0004296100000000, -0.0004369900000000 ] - [ -0.0004110700000000, 0.0002513500000000, 0.0004441600000000 ] - [ -0.0012315100000000, 0.0006223700000000, -0.0000646600000000 ] - [ -0.0005009500000000, 0.0000280900000000, 0.0001419600000000 ] - [ -0.0005302700000000, 0.0005211100000000, 0.0003726300000000 ] - [ 0.0015016600000000, -0.0008759500000000, -0.0006568300000000 ] - [ 0.0003072900000000, 0.0007142900000000, -0.0002348600000000 ] - [ -0.0000254100000000, 0.0001304500000000, -0.0002989400000000 ] - [ 0.0001163400000000, 0.0002891400000000, -0.0000310500000000 ] - [ -0.0017280200000000, -0.0017600100000000, -0.0007211900000000 ] - [ -0.0001097100000000, 0.0005577700000000, 0.0000759100000000 ] - [ -0.0001271900000000, -0.0011324800000000, -0.0000967000000000 ] - [ -0.0000318400000000, 0.0004858700000000, 0.0000229200000000 ] - [ -0.0014344900000000, 0.0009541600000000, 0.0003682100000000 ] - [ 0.0002864400000000, 0.0005193000000000, -0.0000865800000000 ] - [ 0.0015800100000000, -0.0004569300000000, -0.0011721500000000 ] - [ 0.0007651600000000, 0.0004106000000000, 0.0005554600000000 ] - [ 0.0234772400000000, -0.0741030900000000, 0.0275532900000000 ] - [ -0.0007716700000000, 0.0005419100000000, -0.0002584100000000 ] - [ -0.0011615000000000, -0.0008337000000000, -0.0007435100000000 ] - [ -0.0008743200000000, 0.0006629900000000, -0.0001190600000000 ] - [ 0.0007364700000000, 0.0010725000000000, 0.0006828500000000 ] - [ 0.0018959600000000, 0.0017613000000000, -0.0009741700000000 ] - [ -0.0003577000000000, -0.0006023000000000, 0.0004873300000000 ] - [ 0.0003542800000000, 0.0003098200000000, -0.0004641500000000 ] - [ 0.0001478700000000, -0.0007729800000000, -0.0008391900000000 ] - [ -0.0001677100000000, 0.0001576900000000, 0.0003071400000000 ] - [ 0.0025790900000000, -0.0016687500000000, -0.0002704300000000 ] - [ 0.0001179800000000, 0.0010305600000000, 0.0002358900000000 ] - [ -0.0001727100000000, 0.0015307200000000, -0.0010205000000000 ] - [ 0.0002640300000000, 0.0012103800000000, 0.0008699900000000 ] - [ -0.0021682500000000, -0.0008324400000000, -0.0017695900000000 ] - [ -0.0004401800000000, 0.0007878700000000, 0.0004068300000000 ] - [ 0.0003747500000000, -0.0004417600000000, 0.0001118800000000 ] - [ 0.0004554400000000, 0.0010347800000000, -0.0004638200000000 ] - [ 0.0007136000000000, -0.0008355000000000, -0.0005692700000000 ] - [ 0.0006706700000000, 0.0001978900000000, -0.0005143900000000 ] - [ -0.0007904900000000, 0.0001683300000000, 0.0006578700000000 ] - [ -0.0005395300000000, -0.0001809300000000, -0.0001360000000000 ] - [ -0.0008650000000000, -0.0014427400000000, 0.0013099600000000 ] - [ -0.0000581900000000, 0.0014707500000000, 0.0004272300000000 ] - [ -0.0000139200000000, 0.0012092600000000, -0.0006102600000000 ] - [ 0.0000985600000000, 0.0009225500000000, -0.0000606900000000 ] - [ 0.0000189500000000, -0.0012403600000000, -0.0001257500000000 ] - [ 0.0000975200000000, -0.0001038200000000, -0.0004670100000000 ] - [ 0.0000555800000000, -0.0013383900000000, 0.0004029700000000 ] - [ -0.0002698900000000, -0.0001842000000000, 0.0002940800000000 ]- atom: 41 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0043526900000000, -0.0008577000000000, 0.0020736200000000 ] - [ -0.0000572800000000, 0.0004819600000000, 0.0000646900000000 ] - [ -0.0001572100000000, 0.0001536900000000, -0.0000313200000000 ] - [ 0.0002861700000000, 0.0003403400000000, -0.0000843500000000 ] - [ 0.0000958700000000, -0.0008148800000000, 0.0006662800000000 ] - [ 0.0001627300000000, -0.0002586800000000, 0.0000127500000000 ] - [ -0.0008208000000000, -0.0007035300000000, -0.0004935300000000 ] - [ -0.0000693500000000, -0.0004308700000000, 0.0000306300000000 ] - [ -0.0013173500000000, -0.0005254100000000, -0.0016510300000000 ] - [ -0.0001948200000000, -0.0003515200000000, -0.0000459700000000 ] - [ 0.0000435400000000, -0.0005223900000000, -0.0003227100000000 ] - [ -0.0000434900000000, -0.0003652400000000, -0.0005230700000000 ] - [ 0.0011456200000000, 0.0004738500000000, 0.0002530200000000 ] - [ 0.0002721700000000, 0.0003493500000000, 0.0001055400000000 ] - [ -0.0004107500000000, 0.0007836800000000, 0.0015696700000000 ] - [ -0.0001689300000000, 0.0003230600000000, 0.0001484000000000 ] - [ -0.0013670800000000, 0.0001491300000000, 0.0003555200000000 ] - [ -0.0001212400000000, -0.0001790300000000, -0.0003391300000000 ] - [ 0.0009219500000000, -0.0001995600000000, 0.0008520800000000 ] - [ 0.0002133500000000, -0.0001935800000000, 0.0004901000000000 ] - [ -0.0014911300000000, -0.0024078800000000, -0.0031038200000000 ] - [ 0.0001968800000000, 0.0000295000000000, 0.0003044400000000 ] - [ -0.0004201000000000, 0.0001138600000000, -0.0004774600000000 ] - [ 0.0012246900000000, 0.0028939600000000, -0.0004110700000000 ] - [ 0.0005156400000000, -0.0034186300000000, -0.0016879400000000 ] - [ -0.0003012200000000, 0.0006424900000000, 0.0001878900000000 ] - [ 0.0029902400000000, 0.0061788300000000, -0.0053452300000000 ] - [ 0.0003265300000000, 0.0002783900000000, -0.0002771200000000 ] - [ -0.0002743100000000, -0.0000576600000000, 0.0016863600000000 ] - [ 0.0003033400000000, -0.0003296800000000, -0.0001117600000000 ] - [ -0.0006167100000000, -0.0002841100000000, 0.0004249900000000 ] - [ -0.0008060500000000, -0.0008984000000000, 0.0004924100000000 ] - [ -0.0001670900000000, -0.0003077000000000, 0.0010200000000000 ] - [ 0.0001176600000000, 0.0003393500000000, 0.0001529700000000 ] - [ 0.0015535700000000, -0.0041924100000000, 0.0080260000000000 ] - [ -0.0000683000000000, 0.0003839100000000, 0.0001280700000000 ] - [ -0.0055490800000000, -0.0028646100000000, 0.0053274500000000 ] - [ -0.0001604500000000, -0.0002043200000000, -0.0000375800000000 ] - [ 0.0004132600000000, 0.0007316800000000, -0.0001861800000000 ] - [ -0.0010414200000000, -0.0020406700000000, -0.0015886400000000 ] - [ 0.0048476900000000, 0.0057703500000000, -0.0210974700000000 ] - [ 0.0001336900000000, 0.0003246000000000, 0.0000745000000000 ] - [ -0.0000258800000000, -0.0004738300000000, -0.0005991900000000 ] - [ -0.0001422800000000, 0.0009384400000000, -0.0006392500000000 ] - [ -0.0005904800000000, 0.0014425400000000, 0.0012662900000000 ] - [ -0.0000728500000000, -0.0006837100000000, 0.0002095800000000 ] - [ -0.0011345100000000, 0.0002811000000000, 0.0035843000000000 ] - [ 0.0001293800000000, -0.0003079300000000, 0.0001928100000000 ] - [ -0.0005425000000000, -0.0001177000000000, 0.0012134600000000 ] - [ -0.0000668600000000, 0.0001925300000000, 0.0001163800000000 ] - [ 0.0002251900000000, -0.0005335800000000, 0.0004299300000000 ] - [ 0.0000660700000000, 0.0002959500000000, 0.0000673800000000 ] - [ 0.0005602400000000, -0.0004430100000000, 0.0004282600000000 ] - [ 0.0000664500000000, -0.0001620200000000, -0.0001084900000000 ] - [ -0.0000694400000000, -0.0001422000000000, -0.0000583100000000 ] - [ 0.0002547000000000, -0.0002417800000000, -0.0007662900000000 ] - [ -0.0015153000000000, 0.0025587300000000, 0.0082544300000000 ] - [ -0.0000002900000000, 0.0001265300000000, -0.0001125000000000 ] - [ -0.0004268700000000, 0.0005015400000000, 0.0003689900000000 ] - [ -0.0001487700000000, 0.0010060100000000, 0.0006067700000000 ] - [ 0.0000467700000000, -0.0001927600000000, -0.0006143500000000 ] - [ 0.0000016900000000, -0.0001755900000000, -0.0000378200000000 ] - [ 0.0010242100000000, 0.0005448300000000, -0.0018310600000000 ] - [ 0.0000037500000000, -0.0002045700000000, -0.0002081700000000 ] - [ 0.0007407300000000, 0.0006423300000000, -0.0023841600000000 ] - [ 0.0005299200000000, -0.0000826400000000, -0.0003877000000000 ] - [ -0.0007411300000000, -0.0001238700000000, 0.0003158300000000 ] - [ -0.0009733800000000, 0.0001243600000000, 0.0000841000000000 ] - [ 0.0002244400000000, 0.0008719600000000, -0.0000683500000000 ] - [ -0.0005521800000000, -0.0000069100000000, 0.0004448300000000 ] - [ 0.0003150200000000, 0.0003679200000000, 0.0009790500000000 ] - [ 0.0005713700000000, 0.0000133200000000, -0.0002962200000000 ] - [ -0.0000536900000000, 0.0002529800000000, -0.0001961300000000 ] - [ 0.0000534400000000, -0.0002559200000000, -0.0001958100000000 ] - [ -0.0009921200000000, -0.0006867900000000, -0.0000846800000000 ] - [ -0.0001017100000000, 0.0000130800000000, 0.0000295500000000 ] - [ 0.0002235100000000, -0.0002466300000000, -0.0001758800000000 ] - [ -0.0000842900000000, 0.0000155000000000, 0.0000606000000000 ] - [ 0.0007829200000000, -0.0002317300000000, -0.0001615100000000 ] - [ 0.0001851900000000, 0.0000042500000000, 0.0000333600000000 ] - [ 0.0012321800000000, 0.0012240100000000, -0.0000031400000000 ] - [ 0.0009185500000000, -0.0002717200000000, 0.0002305900000000 ] - [ -0.0036881300000000, -0.0045119600000000, 0.0027108800000000 ] - [ -0.0009972200000000, -0.0002725300000000, -0.0002146200000000 ] - [ 0.0003238900000000, 0.0001362500000000, -0.0024700200000000 ] - [ -0.0008388500000000, 0.0001402800000000, -0.0002800100000000 ] - [ 0.0010258900000000, -0.0001660800000000, -0.0001703600000000 ] - [ 0.0011836400000000, 0.0009624700000000, -0.0001668000000000 ] - [ 0.0005082000000000, -0.0002910900000000, -0.0009399000000000 ] - [ 0.0001497800000000, -0.0002137300000000, -0.0004079900000000 ] - [ -0.0001226500000000, -0.0002452000000000, -0.0016089300000000 ] - [ -0.0000793300000000, -0.0003432600000000, 0.0001228800000000 ] - [ -0.0007186400000000, 0.0004043400000000, 0.0045239100000000 ] - [ -0.0000575700000000, 0.0003722100000000, 0.0003456400000000 ] - [ 0.0000230700000000, 0.0002030900000000, 0.0005953300000000 ] - [ 0.0003689600000000, -0.0005008700000000, 0.0009117200000000 ] - [ -0.0015365100000000, 0.0020168200000000, 0.0020881700000000 ] - [ -0.0006512200000000, 0.0001763600000000, 0.0004467800000000 ] - [ 0.0001702900000000, -0.0002962000000000, 0.0003496400000000 ] - [ 0.0006629100000000, 0.0002043100000000, -0.0002565100000000 ] - [ 0.0001513400000000, -0.0003877600000000, -0.0012228300000000 ] - [ 0.0005462500000000, -0.0003126800000000, -0.0004695700000000 ] - [ -0.0004853100000000, -0.0002713800000000, 0.0003344700000000 ] - [ -0.0002079900000000, -0.0000367200000000, -0.0000250900000000 ] - [ 0.0008676100000000, 0.0006263500000000, 0.0007120500000000 ] - [ -0.0001321600000000, 0.0007638900000000, 0.0004171600000000 ] - [ 0.0001080900000000, 0.0011345100000000, -0.0004426100000000 ] - [ -0.0001701900000000, 0.0005640500000000, -0.0002852000000000 ] - [ 0.0002357000000000, -0.0004031900000000, 0.0000780800000000 ] - [ 0.0000617400000000, -0.0006788700000000, -0.0004481200000000 ] - [ -0.0010643700000000, -0.0022180900000000, -0.0012102200000000 ] - [ -0.0000515100000000, -0.0007218600000000, 0.0003625900000000 ]- atom: 41 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0044580900000000, 0.0017701000000000, -0.0020284200000000 ] - [ -0.0000215200000000, 0.0004202000000000, -0.0000119900000000 ] - [ 0.0002406100000000, 0.0007507600000000, -0.0000251500000000 ] - [ -0.0002115200000000, 0.0005623100000000, 0.0000288200000000 ] - [ -0.0000166100000000, -0.0000824300000000, -0.0007177100000000 ] - [ -0.0000849600000000, -0.0006467300000000, -0.0000662600000000 ] - [ 0.0007289200000000, -0.0002013300000000, 0.0005334800000000 ] - [ -0.0000095300000000, -0.0004729100000000, 0.0000216200000000 ] - [ 0.0009574400000000, -0.0002043900000000, 0.0017912600000000 ] - [ -0.0001862900000000, -0.0003808300000000, 0.0001725900000000 ] - [ 0.0003396200000000, -0.0002115000000000, 0.0002023000000000 ] - [ 0.0004275900000000, -0.0003673100000000, 0.0004041400000000 ] - [ -0.0007595800000000, 0.0002629500000000, -0.0003819000000000 ] - [ 0.0001078800000000, 0.0003837500000000, -0.0002319700000000 ] - [ 0.0000256500000000, -0.0000544500000000, -0.0014540600000000 ] - [ -0.0002115100000000, 0.0004109100000000, -0.0000246500000000 ] - [ 0.0011160500000000, -0.0004277200000000, -0.0010228400000000 ] - [ -0.0001305200000000, -0.0001144200000000, -0.0003153300000000 ] - [ -0.0006718100000000, -0.0000977400000000, -0.0001991900000000 ] - [ 0.0000380600000000, -0.0000970800000000, 0.0001633400000000 ] - [ 0.0017467500000000, 0.0027031800000000, 0.0037582500000000 ] - [ 0.0000539600000000, 0.0002636200000000, 0.0003491400000000 ] - [ 0.0001698600000000, 0.0001790400000000, -0.0001750300000000 ] - [ -0.0014839000000000, -0.0026200000000000, -0.0002388600000000 ] - [ -0.0011168400000000, 0.0041081900000000, 0.0020788400000000 ] - [ -0.0002919700000000, 0.0000255400000000, 0.0001835600000000 ] - [ -0.0024690900000000, -0.0054944700000000, 0.0050116000000000 ] - [ 0.0002667300000000, 0.0003912200000000, -0.0000928500000000 ] - [ 0.0008738900000000, -0.0006164700000000, -0.0020521800000000 ] - [ 0.0002897900000000, -0.0003409000000000, -0.0002596800000000 ] - [ 0.0000268200000000, -0.0003858200000000, -0.0000601500000000 ] - [ 0.0002172600000000, 0.0002173400000000, -0.0001298400000000 ] - [ 0.0004812700000000, 0.0008256200000000, -0.0010868700000000 ] - [ 0.0001979700000000, 0.0001689900000000, -0.0002157400000000 ] - [ -0.0018118700000000, 0.0046398200000000, -0.0079785500000000 ] - [ -0.0002487900000000, 0.0001255900000000, -0.0000684200000000 ] - [ 0.0053212700000000, 0.0023852300000000, -0.0053070400000000 ] - [ -0.0001549400000000, -0.0003067500000000, 0.0000997100000000 ] - [ -0.0001021900000000, -0.0012560700000000, 0.0001274800000000 ] - [ 0.0013729700000000, 0.0015589100000000, 0.0015356700000000 ] - [ -0.0046769600000000, -0.0051378700000000, 0.0217941800000000 ] - [ 0.0001432000000000, 0.0002645200000000, 0.0001724400000000 ] - [ -0.0002522800000000, 0.0010698200000000, 0.0003588400000000 ] - [ -0.0001350300000000, -0.0003543500000000, 0.0003981800000000 ] - [ 0.0002999100000000, -0.0020138200000000, -0.0015224600000000 ] - [ -0.0002046300000000, 0.0000959900000000, -0.0004597900000000 ] - [ 0.0014191400000000, -0.0008783300000000, -0.0033248900000000 ] - [ 0.0001478100000000, -0.0002816700000000, 0.0000525800000000 ] - [ 0.0004127600000000, 0.0004099000000000, -0.0010236800000000 ] - [ -0.0000857300000000, 0.0002037300000000, -0.0000506800000000 ] - [ -0.0000747400000000, 0.0009351400000000, -0.0005026100000000 ] - [ 0.0000871800000000, 0.0000990400000000, -0.0001362600000000 ] - [ -0.0003908700000000, 0.0000553000000000, -0.0004699600000000 ] - [ 0.0000869000000000, -0.0002337200000000, 0.0000420200000000 ] - [ -0.0000839200000000, -0.0002547800000000, 0.0001262500000000 ] - [ -0.0004073400000000, -0.0001464200000000, 0.0008339400000000 ] - [ 0.0014309800000000, -0.0023391500000000, -0.0092135300000000 ] - [ -0.0000123200000000, 0.0002037100000000, -0.0001992400000000 ] - [ 0.0004424600000000, -0.0001725300000000, -0.0000591000000000 ] - [ 0.0001626200000000, -0.0006791600000000, -0.0002997400000000 ] - [ -0.0000339900000000, -0.0001415500000000, 0.0009220100000000 ] - [ 0.0000109800000000, -0.0001525000000000, 0.0003510100000000 ] - [ -0.0010512000000000, -0.0008627500000000, 0.0015218900000000 ] - [ -0.0000163100000000, -0.0001249200000000, -0.0001021100000000 ] - [ 0.0002742300000000, -0.0007927300000000, 0.0017146500000000 ] - [ 0.0004803200000000, -0.0000608000000000, -0.0002890000000000 ] - [ -0.0002701800000000, -0.0000224500000000, 0.0003611700000000 ] - [ -0.0000282600000000, -0.0002737400000000, 0.0005983200000000 ] - [ -0.0012373800000000, -0.0007315900000000, 0.0007421200000000 ] - [ -0.0004576500000000, 0.0001515100000000, 0.0002307900000000 ] - [ 0.0006894600000000, -0.0002240100000000, -0.0016549300000000 ] - [ 0.0004386700000000, 0.0001314100000000, -0.0003815200000000 ] - [ 0.0002089500000000, -0.0002332600000000, 0.0001008200000000 ] - [ 0.0001037900000000, 0.0002812200000000, 0.0001041500000000 ] - [ 0.0008466600000000, 0.0007154900000000, 0.0001840500000000 ] - [ -0.0000540200000000, 0.0000093800000000, 0.0000637300000000 ] - [ -0.0003808000000000, 0.0002258000000000, 0.0002649500000000 ] - [ -0.0000716600000000, -0.0000377000000000, 0.0000317500000000 ] - [ -0.0006455900000000, 0.0002191200000000, 0.0000704300000000 ] - [ -0.0000299400000000, -0.0000271800000000, -0.0001264400000000 ] - [ 0.0004817000000000, -0.0015766700000000, 0.0004658000000000 ] - [ 0.0007974200000000, -0.0000676900000000, 0.0002307100000000 ] - [ 0.0019151100000000, 0.0042607100000000, -0.0030756000000000 ] - [ -0.0007179600000000, -0.0000669200000000, -0.0002478000000000 ] - [ -0.0020494000000000, 0.0002006300000000, 0.0020082800000000 ] - [ -0.0008776400000000, 0.0002013700000000, -0.0001824300000000 ] - [ 0.0006891100000000, 0.0005096800000000, 0.0006378400000000 ] - [ 0.0005166100000000, -0.0006297500000000, 0.0006422900000000 ] - [ -0.0003897900000000, -0.0003820700000000, 0.0004920200000000 ] - [ -0.0000338300000000, -0.0004538000000000, -0.0000448800000000 ] - [ -0.0000049400000000, -0.0004146400000000, 0.0020602900000000 ] - [ -0.0000372300000000, -0.0003247100000000, 0.0003337500000000 ] - [ 0.0007755400000000, 0.0003039200000000, -0.0041021500000000 ] - [ -0.0000594100000000, 0.0002954400000000, 0.0001082300000000 ] - [ 0.0000957800000000, 0.0004629100000000, -0.0010599100000000 ] - [ -0.0002540900000000, 0.0011724000000000, -0.0013773600000000 ] - [ 0.0003661700000000, -0.0014616300000000, -0.0012825100000000 ] - [ -0.0005258400000000, 0.0003866500000000, 0.0003754300000000 ] - [ 0.0010105000000000, 0.0008569200000000, -0.0011772700000000 ] - [ 0.0005121300000000, 0.0003599800000000, -0.0005675800000000 ] - [ 0.0010240800000000, -0.0001764500000000, 0.0003975200000000 ] - [ 0.0006313600000000, -0.0002488000000000, -0.0003529800000000 ] - [ -0.0006931200000000, -0.0002899000000000, 0.0004906800000000 ] - [ -0.0009632200000000, -0.0005216700000000, 0.0008510400000000 ] - [ -0.0011007500000000, 0.0008965700000000, 0.0000599600000000 ] - [ -0.0000973500000000, 0.0007647600000000, 0.0003456700000000 ] - [ 0.0001210300000000, 0.0003912200000000, -0.0003233900000000 ] - [ 0.0004015800000000, 0.0009667200000000, -0.0004807600000000 ] - [ -0.0000072700000000, -0.0011264600000000, -0.0008324700000000 ] - [ 0.0001685300000000, -0.0008494000000000, -0.0003147700000000 ] - [ 0.0008390500000000, 0.0006995200000000, 0.0019805100000000 ] - [ -0.0001779200000000, -0.0008069300000000, 0.0004003900000000 ]- atom: 49 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0004799100000000, -0.0005492600000000, -0.0005986300000000 ] - [ -0.0000424500000000, 0.0005310600000000, 0.0000343500000000 ] - [ -0.0005013400000000, 0.0005028000000000, -0.0000969000000000 ] - [ -0.0000089100000000, 0.0004719600000000, -0.0000657700000000 ] - [ -0.0006298100000000, -0.0000350200000000, -0.0005785500000000 ] - [ 0.0000313600000000, -0.0004160400000000, -0.0000253900000000 ] - [ -0.0000398100000000, -0.0018520100000000, 0.0001804600000000 ] - [ -0.0000859600000000, -0.0003430200000000, 0.0000019700000000 ] - [ 0.0040018000000000, 0.0016283400000000, 0.0014299800000000 ] - [ -0.0001936900000000, -0.0003135400000000, 0.0000450900000000 ] - [ -0.0000126600000000, -0.0002041000000000, -0.0001470300000000 ] - [ 0.0001238400000000, -0.0004411500000000, -0.0000695700000000 ] - [ -0.0000903900000000, 0.0002967800000000, -0.0001822400000000 ] - [ 0.0001912500000000, 0.0004062100000000, -0.0000669300000000 ] - [ -0.0002451600000000, 0.0003437000000000, 0.0001899100000000 ] - [ -0.0002474800000000, 0.0004115200000000, 0.0000706700000000 ] - [ 0.0005560900000000, 0.0005504100000000, -0.0005022900000000 ] - [ -0.0001108000000000, -0.0000971900000000, -0.0003115900000000 ] - [ 0.0000896200000000, -0.0002248400000000, 0.0002066100000000 ] - [ 0.0000778400000000, -0.0001415300000000, 0.0002618700000000 ] - [ -0.0012501200000000, -0.0003575800000000, -0.0005158900000000 ] - [ 0.0001167700000000, 0.0001995900000000, 0.0003221600000000 ] - [ -0.0001857300000000, 0.0002685200000000, -0.0003334700000000 ] - [ 0.0000812100000000, 0.0002721600000000, -0.0003566500000000 ] - [ 0.0002557100000000, 0.0003533100000000, 0.0000824300000000 ] - [ -0.0002740000000000, 0.0004215600000000, 0.0002013900000000 ] - [ 0.0001390700000000, 0.0007690600000000, -0.0004819600000000 ] - [ 0.0002631500000000, 0.0002179200000000, -0.0002667600000000 ] - [ -0.0001010600000000, -0.0003502800000000, -0.0007955500000000 ] - [ 0.0002958000000000, -0.0002846600000000, -0.0001865800000000 ] - [ -0.0002871500000000, -0.0000443100000000, 0.0002596200000000 ] - [ -0.0001958500000000, -0.0003919000000000, 0.0002125400000000 ] - [ 0.0003705700000000, 0.0000463400000000, 0.0006711500000000 ] - [ 0.0001651300000000, 0.0002960700000000, -0.0000078500000000 ] - [ -0.0002554600000000, 0.0005782500000000, -0.0003229600000000 ] - [ -0.0001235900000000, 0.0002960500000000, 0.0000465200000000 ] - [ -0.0003761200000000, -0.0005613500000000, 0.0010241500000000 ] - [ -0.0001586400000000, -0.0002193300000000, 0.0000382200000000 ] - [ 0.0002927600000000, 0.0003581700000000, -0.0000539300000000 ] - [ 0.0004037400000000, -0.0001635200000000, -0.0000434800000000 ] - [ 0.0154756100000000, -0.0304678300000000, 0.0048055800000000 ] - [ 0.0001502500000000, 0.0003674300000000, 0.0001372000000000 ] - [ -0.0001572200000000, -0.0001124200000000, 0.0000254400000000 ] - [ -0.0001118200000000, 0.0004034100000000, -0.0001256900000000 ] - [ 0.0007082000000000, -0.0004599200000000, 0.0006723800000000 ] - [ -0.0001547400000000, -0.0002204600000000, -0.0001392400000000 ] - [ 0.0000933400000000, -0.0002175900000000, 0.0004610100000000 ] - [ 0.0001622600000000, -0.0002334100000000, 0.0001397200000000 ] - [ -0.0300010800000000, 0.0294661200000000, -0.0050955700000000 ] - [ -0.0000728300000000, 0.0001571100000000, 0.0000311300000000 ] - [ 0.0000945800000000, 0.0000756500000000, -0.0000572800000000 ] - [ 0.0000944800000000, 0.0002533200000000, -0.0000507500000000 ] - [ 0.0020737100000000, -0.0004309600000000, 0.0042013800000000 ] - [ 0.0000820900000000, -0.0002320300000000, -0.0000346700000000 ] - [ -0.0000998800000000, -0.0002414100000000, -0.0000140100000000 ] - [ -0.0000707400000000, -0.0002245600000000, -0.0000502800000000 ] - [ -0.0007520400000000, -0.0010911100000000, -0.0030282700000000 ] - [ -0.0000221500000000, 0.0001275200000000, -0.0001595100000000 ] - [ 0.0014186600000000, 0.0014804300000000, 0.0002142100000000 ] - [ 0.0000487100000000, 0.0001250700000000, 0.0001744000000000 ] - [ -0.0000286900000000, -0.0000902700000000, 0.0003077800000000 ] - [ 0.0000186200000000, -0.0001949500000000, 0.0001589200000000 ] - [ -0.0004282700000000, 0.0001284500000000, -0.0004005200000000 ] - [ -0.0000212800000000, -0.0002019700000000, -0.0001637700000000 ] - [ 0.0004391600000000, 0.0001518100000000, -0.0006011300000000 ] - [ 0.0004926900000000, -0.0001190600000000, -0.0003347100000000 ] - [ -0.0004643300000000, -0.0000325900000000, 0.0004355100000000 ] - [ -0.0004822600000000, -0.0000868300000000, 0.0003311700000000 ] - [ 0.0000975600000000, 0.0001442200000000, 0.0002627600000000 ] - [ -0.0004882100000000, 0.0000358700000000, 0.0003423500000000 ] - [ 0.0001985900000000, 0.0004581200000000, -0.0001450800000000 ] - [ 0.0005430200000000, -0.0000512500000000, -0.0003211500000000 ] - [ -0.0000194900000000, -0.0000902600000000, 0.0000972200000000 ] - [ 0.0000639900000000, -0.0000126100000000, -0.0000566700000000 ] - [ 0.0003500300000000, 0.0000024800000000, 0.0000361100000000 ] - [ -0.0000653400000000, -0.0000364200000000, 0.0000413100000000 ] - [ 0.0003413600000000, 0.0003119900000000, 0.0002454600000000 ] - [ -0.0000631100000000, -0.0000494000000000, 0.0000471100000000 ] - [ 0.0029538100000000, -0.0028726300000000, -0.0003485900000000 ] - [ 0.0000763600000000, -0.0000237500000000, -0.0000515400000000 ] - [ 0.0016669300000000, 0.0001895500000000, -0.0007381400000000 ] - [ 0.0008562200000000, -0.0002187600000000, 0.0002031700000000 ] - [ -0.0032468000000000, 0.0012163500000000, -0.0028150700000000 ] - [ -0.0010253200000000, -0.0002427500000000, -0.0002123700000000 ] - [ -0.0008805100000000, 0.0001861400000000, -0.0003859500000000 ] - [ -0.0008544600000000, 0.0001281200000000, -0.0002527900000000 ] - [ 0.0005477500000000, 0.0003519400000000, -0.0001147300000000 ] - [ 0.0007484500000000, 0.0001046000000000, 0.0003531300000000 ] - [ -0.0003718100000000, -0.0008648900000000, -0.0014033600000000 ] - [ 0.0000275400000000, -0.0003745500000000, -0.0002291200000000 ] - [ 0.0000139700000000, -0.0004595200000000, 0.0002804800000000 ] - [ -0.0000624500000000, -0.0003528500000000, 0.0002026400000000 ] - [ 0.0035905700000000, 0.0004363600000000, -0.0006866500000000 ] - [ -0.0000669200000000, 0.0002844400000000, 0.0002476000000000 ] - [ -0.0002407100000000, 0.0003970200000000, -0.0000251000000000 ] - [ 0.0000315000000000, 0.0002452100000000, -0.0002137400000000 ] - [ -0.0009411700000000, -0.0002017200000000, 0.0066298800000000 ] - [ -0.0006115800000000, 0.0002367100000000, 0.0004183700000000 ] - [ 0.0008761200000000, 0.0003341900000000, -0.0003165800000000 ] - [ 0.0009140800000000, 0.0002166600000000, -0.0004691300000000 ] - [ 0.0012086200000000, -0.0000871700000000, 0.0004589000000000 ] - [ 0.0005857400000000, -0.0003207900000000, -0.0004106800000000 ] - [ -0.0005064300000000, -0.0004209200000000, 0.0003639300000000 ] - [ -0.0005715200000000, -0.0002083100000000, 0.0004338400000000 ] - [ 0.0028132700000000, 0.0025658400000000, -0.0022677200000000 ] - [ -0.0001084400000000, 0.0007161500000000, 0.0003843300000000 ] - [ 0.0002232300000000, 0.0006257600000000, -0.0002681100000000 ] - [ 0.0000829000000000, 0.0007950800000000, -0.0003658800000000 ] - [ 0.0005116900000000, -0.0009170300000000, -0.0003464500000000 ] - [ 0.0001210900000000, -0.0007978400000000, -0.0003739800000000 ] - [ -0.0002372400000000, -0.0008537700000000, 0.0002704700000000 ] - [ -0.0000873800000000, -0.0008337200000000, 0.0003899600000000 ]- atom: 49 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0005622500000000, 0.0014602800000000, 0.0006535300000000 ] - [ -0.0000362900000000, 0.0003718000000000, 0.0000185800000000 ] - [ 0.0005819300000000, 0.0003985800000000, 0.0000428700000000 ] - [ 0.0000881000000000, 0.0004320100000000, 0.0000126100000000 ] - [ 0.0007129900000000, -0.0008713900000000, 0.0005276400000000 ] - [ 0.0000475200000000, -0.0004868200000000, -0.0000278100000000 ] - [ -0.0000435700000000, 0.0009686600000000, -0.0001273700000000 ] - [ 0.0000065600000000, -0.0005599800000000, 0.0000512100000000 ] - [ -0.0045790900000000, -0.0024454900000000, -0.0013896200000000 ] - [ -0.0001872400000000, -0.0004192300000000, 0.0000803400000000 ] - [ 0.0003942500000000, -0.0005304600000000, 0.0000232800000000 ] - [ 0.0002561800000000, -0.0002917000000000, -0.0000546700000000 ] - [ 0.0004730800000000, 0.0004359000000000, 0.0000569500000000 ] - [ 0.0001898300000000, 0.0003268700000000, -0.0000580600000000 ] - [ -0.0001355600000000, 0.0003898300000000, -0.0000669700000000 ] - [ -0.0001332000000000, 0.0003217600000000, 0.0000544200000000 ] - [ -0.0008354200000000, -0.0008577300000000, -0.0001247000000000 ] - [ -0.0001401800000000, -0.0001954000000000, -0.0003421900000000 ] - [ 0.0001614700000000, -0.0000665900000000, 0.0004474500000000 ] - [ 0.0001740500000000, -0.0001515600000000, 0.0003925300000000 ] - [ 0.0015115100000000, 0.0006454800000000, 0.0011690100000000 ] - [ 0.0001346800000000, 0.0000932300000000, 0.0003317800000000 ] - [ -0.0000699900000000, 0.0000256500000000, -0.0003228800000000 ] - [ -0.0003334300000000, 0.0000187100000000, -0.0002975800000000 ] - [ -0.0008860700000000, 0.0002994000000000, 0.0003040200000000 ] - [ -0.0003186000000000, 0.0002488100000000, 0.0001695000000000 ] - [ 0.0004521600000000, -0.0000958200000000, 0.0001121800000000 ] - [ 0.0003310100000000, 0.0004515900000000, -0.0001038600000000 ] - [ 0.0006968000000000, -0.0003202200000000, 0.0004243100000000 ] - [ 0.0002976200000000, -0.0003852700000000, -0.0001843000000000 ] - [ -0.0003100700000000, -0.0006286400000000, 0.0001141900000000 ] - [ -0.0003970600000000, -0.0002776300000000, 0.0001579200000000 ] - [ -0.0000560900000000, 0.0004661000000000, -0.0007386600000000 ] - [ 0.0001504900000000, 0.0002144700000000, -0.0000535600000000 ] - [ -0.0000594500000000, -0.0000705900000000, 0.0003806100000000 ] - [ -0.0001901500000000, 0.0002160500000000, 0.0000151800000000 ] - [ 0.0000655900000000, 0.0000513200000000, -0.0009597800000000 ] - [ -0.0001563400000000, -0.0002910500000000, 0.0000233700000000 ] - [ 0.0000159600000000, -0.0008691500000000, -0.0000075100000000 ] - [ -0.0000861300000000, -0.0003453200000000, -0.0000163900000000 ] - [ -0.0152073800000000, 0.0305459700000000, -0.0046079200000000 ] - [ 0.0001263500000000, 0.0002227100000000, 0.0001098400000000 ] - [ -0.0001168900000000, 0.0007029000000000, -0.0002719100000000 ] - [ -0.0001649900000000, 0.0001860900000000, -0.0001204500000000 ] - [ -0.0009917700000000, -0.0001208000000000, -0.0009044400000000 ] - [ -0.0001222500000000, -0.0003686600000000, -0.0001074900000000 ] - [ 0.0001845100000000, -0.0003731200000000, -0.0002165300000000 ] - [ 0.0001149700000000, -0.0003564500000000, 0.0001071800000000 ] - [ 0.0301384100000000, -0.0284799900000000, 0.0051790400000000 ] - [ -0.0000801000000000, 0.0002384700000000, 0.0000357400000000 ] - [ 0.0000587900000000, 0.0003207900000000, -0.0000099000000000 ] - [ 0.0000586000000000, 0.0001414300000000, -0.0000166200000000 ] - [ -0.0019162300000000, 0.0000268000000000, -0.0042374300000000 ] - [ 0.0000713800000000, -0.0001640800000000, -0.0000321800000000 ] - [ -0.0000530900000000, -0.0001542500000000, 0.0000813800000000 ] - [ -0.0000823000000000, -0.0001709700000000, 0.0001181500000000 ] - [ 0.0007342500000000, 0.0014263900000000, 0.0027331800000000 ] - [ 0.0000097600000000, 0.0002017300000000, -0.0001514400000000 ] - [ -0.0013850900000000, -0.0011258200000000, 0.0000981500000000 ] - [ -0.0000359900000000, 0.0002050700000000, 0.0001363600000000 ] - [ 0.0000414800000000, -0.0002396300000000, 0.0000024000000000 ] - [ -0.0000057900000000, -0.0001352400000000, 0.0001524000000000 ] - [ 0.0004212000000000, -0.0004604300000000, 0.0000909900000000 ] - [ 0.0000091600000000, -0.0001287400000000, -0.0001472300000000 ] - [ 0.0005731800000000, -0.0002969300000000, -0.0000738000000000 ] - [ 0.0005179200000000, -0.0000248900000000, -0.0003420200000000 ] - [ -0.0005472300000000, -0.0001111400000000, 0.0002414800000000 ] - [ -0.0005274600000000, -0.0000576300000000, 0.0003459900000000 ] - [ -0.0011074300000000, -0.0000004600000000, 0.0004145800000000 ] - [ -0.0005217900000000, 0.0001078500000000, 0.0003345700000000 ] - [ 0.0008218300000000, -0.0003138300000000, -0.0005334500000000 ] - [ 0.0004694600000000, 0.0001943100000000, -0.0003562800000000 ] - [ 0.0001776100000000, 0.0001150300000000, -0.0001911900000000 ] - [ 0.0000921200000000, 0.0000346000000000, -0.0000358000000000 ] - [ -0.0005109700000000, 0.0000186400000000, 0.0000586100000000 ] - [ -0.0000903000000000, 0.0000585700000000, 0.0000516300000000 ] - [ -0.0004964900000000, -0.0003352600000000, -0.0001526000000000 ] - [ -0.0000925500000000, 0.0000272600000000, 0.0000457900000000 ] - [ -0.0028563700000000, 0.0029160800000000, 0.0002605800000000 ] - [ 0.0000797700000000, 0.0000013500000000, -0.0000413400000000 ] - [ 0.0000444800000000, -0.0005304000000000, 0.0012109000000000 ] - [ 0.0008599600000000, -0.0001220700000000, 0.0002591000000000 ] - [ 0.0015194900000000, -0.0016101100000000, 0.0023812200000000 ] - [ -0.0006916500000000, -0.0000976900000000, -0.0002490100000000 ] - [ -0.0008370200000000, 0.0001548100000000, -0.0000748400000000 ] - [ -0.0008616200000000, 0.0002128500000000, -0.0002095900000000 ] - [ 0.0011719000000000, -0.0000162000000000, 0.0005721000000000 ] - [ 0.0009666900000000, 0.0002347500000000, 0.0001109700000000 ] - [ 0.0004972000000000, 0.0002081800000000, 0.0009633500000000 ] - [ 0.0000895800000000, -0.0002934900000000, -0.0002257000000000 ] - [ -0.0001315200000000, -0.0002079700000000, 0.0001745100000000 ] - [ -0.0000546800000000, -0.0003149800000000, 0.0002521900000000 ] - [ -0.0036896200000000, 0.0002299400000000, 0.0011349100000000 ] - [ -0.0000500600000000, 0.0003828600000000, 0.0002074400000000 ] - [ 0.0003625000000000, 0.0002629700000000, -0.0004201700000000 ] - [ 0.0000856300000000, 0.0004225100000000, -0.0002428600000000 ] - [ -0.0001974100000000, 0.0007842600000000, -0.0059102100000000 ] - [ -0.0005656900000000, 0.0003250500000000, 0.0004048200000000 ] - [ 0.0003007300000000, 0.0002245800000000, -0.0005074600000000 ] - [ 0.0002635200000000, 0.0003468100000000, -0.0003536700000000 ] - [ -0.0000334700000000, -0.0004747500000000, -0.0012862400000000 ] - [ 0.0005920700000000, -0.0002413900000000, -0.0004121200000000 ] - [ -0.0006696200000000, -0.0001398500000000, 0.0004593500000000 ] - [ -0.0006049800000000, -0.0003546500000000, 0.0003888700000000 ] - [ -0.0031060700000000, -0.0010772300000000, 0.0030860200000000 ] - [ -0.0001207500000000, 0.0008119700000000, 0.0003788400000000 ] - [ 0.0000062200000000, 0.0009039800000000, -0.0004955000000000 ] - [ 0.0001474900000000, 0.0007329700000000, -0.0003966800000000 ] - [ -0.0002841600000000, -0.0006080100000000, -0.0004151400000000 ] - [ 0.0001090000000000, -0.0007310500000000, -0.0003891500000000 ] - [ 0.0000087100000000, -0.0006740400000000, 0.0004942100000000 ] - [ -0.0001407400000000, -0.0006947900000000, 0.0003739800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009594000000000, 0.0014219300000000, -0.0000249000000000 ] - [ 0.0000063700000000, -0.0000349200000000, 0.0000255900000000 ] - [ 0.0002728100000000, 0.0007268300000000, -0.0004989500000000 ] - [ 0.0000446800000000, -0.0000042500000000, 0.0001210000000000 ] - [ 0.0001446700000000, -0.0000533200000000, 0.0000309200000000 ] - [ 0.0000448000000000, -0.0009002000000000, -0.0000481000000000 ] - [ -0.0004948700000000, -0.0001141200000000, 0.0004144500000000 ] - [ 0.0000045000000000, -0.0010129000000000, -0.0000998700000000 ] - [ 0.0027315000000000, 0.0014930300000000, 0.0007780300000000 ] - [ -0.0002001400000000, -0.0007272400000000, 0.0001180500000000 ] - [ 0.0003783000000000, -0.0005374600000000, 0.0004213500000000 ] - [ -0.0000527400000000, -0.0006811500000000, -0.0003207900000000 ] - [ 0.0002204600000000, 0.0007670900000000, -0.0002118900000000 ] - [ 0.0001549500000000, 0.0000704800000000, -0.0000285500000000 ] - [ -0.0002451100000000, 0.0003611800000000, -0.0001065200000000 ] - [ -0.0001036400000000, 0.0002038800000000, 0.0000505000000000 ] - [ 0.0007483000000000, 0.0011699400000000, -0.0006756400000000 ] - [ -0.0001976400000000, -0.0005565900000000, -0.0003926100000000 ] - [ 0.0000468100000000, -0.0001825700000000, 0.0003235100000000 ] - [ 0.0001454800000000, -0.0002517600000000, 0.0003195100000000 ] - [ 0.0002999300000000, 0.0014959400000000, 0.0010381000000000 ] - [ 0.0000746600000000, -0.0002639700000000, 0.0002616900000000 ] - [ 0.0009353300000000, -0.0003984800000000, 0.0003054400000000 ] - [ -0.0003503600000000, -0.0005098600000000, -0.0006210300000000 ] - [ 0.0007102200000000, 0.0021059100000000, 0.0024750400000000 ] - [ -0.0003778800000000, -0.0001782100000000, 0.0001799900000000 ] - [ 0.0006093400000000, 0.0008594000000000, -0.0003273800000000 ] - [ 0.0003691200000000, -0.0001821000000000, -0.0001940600000000 ] - [ 0.0005865300000000, 0.0000505600000000, -0.0003065300000000 ] - [ 0.0002321100000000, -0.0006933700000000, -0.0001570100000000 ] - [ 0.0005068700000000, -0.0004139200000000, -0.0004730700000000 ] - [ -0.0003207800000000, -0.0007450400000000, 0.0001618700000000 ] - [ 0.0001983100000000, 0.0009790000000000, 0.0000826100000000 ] - [ 0.0001543200000000, -0.0000498000000000, -0.0000755600000000 ] - [ 0.0001543700000000, -0.0003512100000000, 0.0008411800000000 ] - [ -0.0004373000000000, -0.0002195900000000, -0.0001673100000000 ] - [ 0.0000981400000000, 0.0008428700000000, -0.0005369400000000 ] - [ -0.0001954100000000, -0.0005724000000000, 0.0000378200000000 ] - [ 0.0001978900000000, 0.0001219600000000, -0.0002752000000000 ] - [ 0.0001637700000000, -0.0007708300000000, 0.0000977900000000 ] - [ -0.0272888600000000, 0.0660208400000000, -0.0097395200000000 ] - [ 0.0001573100000000, -0.0002502800000000, 0.0001235800000000 ] - [ -0.0007795200000000, 0.0003182200000000, 0.0004395900000000 ] - [ -0.0000958200000000, -0.0001493100000000, -0.0002123000000000 ] - [ -0.0008790700000000, 0.0002598900000000, -0.0006390000000000 ] - [ -0.0000892100000000, -0.0007359900000000, -0.0000688400000000 ] - [ 0.0005709100000000, -0.0002201100000000, 0.0003215900000000 ] - [ 0.0000978100000000, -0.0006578000000000, 0.0000494300000000 ] - [ 0.0281207800000000, -0.0724066200000000, -0.0019929500000000 ] - [ -0.0001174700000000, 0.0004719100000000, 0.0000306200000000 ] - [ 0.0000215100000000, 0.0003875300000000, 0.0000723800000000 ] - [ 0.0001993200000000, 0.0003862300000000, -0.0001677200000000 ] - [ -0.0001646600000000, -0.0025457200000000, -0.0017289400000000 ] - [ 0.0000424600000000, 0.0000295400000000, -0.0000303700000000 ] - [ -0.0000327300000000, -0.0000523600000000, 0.0000717100000000 ] - [ -0.0000499000000000, 0.0001252300000000, 0.0000379900000000 ] - [ -0.0005685000000000, 0.0026687700000000, 0.0068177700000000 ] - [ 0.0000438800000000, 0.0005108800000000, -0.0001370200000000 ] - [ 0.0019472900000000, 0.0008587600000000, 0.0002101100000000 ] - [ -0.0000738800000000, 0.0005145700000000, 0.0001496500000000 ] - [ 0.0002081100000000, -0.0003467700000000, 0.0002621000000000 ] - [ 0.0000060100000000, 0.0000168100000000, 0.0001758900000000 ] - [ 0.0005964300000000, 0.0003266800000000, -0.0014162800000000 ] - [ -0.0000523700000000, 0.0001522900000000, -0.0001166100000000 ] - [ 0.0005055500000000, -0.0007751900000000, 0.0000893800000000 ] - [ 0.0005510600000000, 0.0002069300000000, -0.0003725100000000 ] - [ -0.0004036400000000, -0.0001127600000000, 0.0003793300000000 ] - [ -0.0005105800000000, 0.0000992200000000, 0.0003386000000000 ] - [ -0.0006776100000000, -0.0005504700000000, 0.0004167100000000 ] - [ -0.0004698400000000, 0.0003650000000000, 0.0003078900000000 ] - [ 0.0022863600000000, 0.0016938800000000, 0.0001276100000000 ] - [ 0.0003305100000000, 0.0004640800000000, -0.0002486600000000 ] - [ -0.0000785400000000, -0.0003086300000000, -0.0001101700000000 ] - [ 0.0001290200000000, 0.0002712100000000, -0.0000226600000000 ] - [ -0.0000807800000000, -0.0002870800000000, -0.0001928400000000 ] - [ -0.0000689600000000, 0.0002969500000000, 0.0000871100000000 ] - [ -0.0003437900000000, -0.0003494800000000, 0.0001567300000000 ] - [ -0.0000451600000000, 0.0002264000000000, 0.0000079400000000 ] - [ -0.0043829400000000, 0.0025163300000000, 0.0005490400000000 ] - [ 0.0001032100000000, 0.0003712100000000, -0.0001285800000000 ] - [ 0.0016319100000000, -0.0010213500000000, -0.0012181400000000 ] - [ 0.0008388900000000, 0.0001615700000000, 0.0003485400000000 ] - [ -0.0010388800000000, -0.0044740000000000, 0.0053555900000000 ] - [ -0.0007132700000000, 0.0002529000000000, -0.0002486700000000 ] - [ -0.0010414400000000, -0.0004884700000000, -0.0002193200000000 ] - [ -0.0008679000000000, 0.0004504900000000, -0.0001606700000000 ] - [ 0.0005059900000000, 0.0017121200000000, 0.0016006400000000 ] - [ 0.0008536900000000, 0.0004316500000000, 0.0000224600000000 ] - [ -0.0003657800000000, -0.0010440300000000, 0.0004634300000000 ] - [ 0.0001521700000000, -0.0000140600000000, -0.0002520100000000 ] - [ -0.0001834500000000, -0.0003407400000000, 0.0001201800000000 ] - [ -0.0000497400000000, -0.0001114400000000, 0.0003803200000000 ] - [ -0.0025925500000000, -0.0001658800000000, 0.0008596100000000 ] - [ 0.0000461400000000, 0.0007127400000000, 0.0001795500000000 ] - [ -0.0003745000000000, 0.0024586800000000, -0.0027362100000000 ] - [ -0.0001128300000000, 0.0008389300000000, -0.0001804200000000 ] - [ -0.0023379900000000, -0.0022521200000000, 0.0003898400000000 ] - [ -0.0005226600000000, 0.0005937200000000, 0.0003777200000000 ] - [ 0.0004919700000000, 0.0003506600000000, -0.0004676900000000 ] - [ 0.0004171400000000, 0.0009072700000000, -0.0005773600000000 ] - [ 0.0004465500000000, -0.0005925800000000, -0.0005277000000000 ] - [ 0.0006380900000000, -0.0000045000000000, -0.0004397500000000 ] - [ -0.0007762700000000, -0.0001207700000000, 0.0006759100000000 ] - [ -0.0004770900000000, -0.0001185600000000, 0.0002846900000000 ] - [ 0.0004543900000000, 0.0001760800000000, -0.0004418400000000 ] - [ -0.0000756700000000, 0.0011929800000000, 0.0004068500000000 ] - [ 0.0000201300000000, 0.0006433000000000, -0.0006104800000000 ] - [ 0.0001699000000000, 0.0010309100000000, -0.0001885000000000 ] - [ -0.0000546200000000, -0.0016891500000000, -0.0002273300000000 ] - [ 0.0001532700000000, -0.0004170500000000, -0.0004040800000000 ] - [ 0.0001492500000000, -0.0006569800000000, 0.0007456500000000 ] - [ -0.0003478600000000, -0.0004778700000000, 0.0002489300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008812700000000, -0.0005263300000000, 0.0000691100000000 ] - [ -0.0000845800000000, 0.0009339600000000, 0.0000275700000000 ] - [ -0.0001894400000000, 0.0001803300000000, 0.0004391100000000 ] - [ 0.0000334400000000, 0.0009041200000000, -0.0001744900000000 ] - [ -0.0000704500000000, -0.0008373200000000, -0.0000887300000000 ] - [ 0.0000340100000000, -0.0000060600000000, -0.0000051000000000 ] - [ 0.0004148100000000, -0.0007976700000000, -0.0003600000000000 ] - [ -0.0000829700000000, 0.0001067300000000, 0.0001515500000000 ] - [ -0.0031364100000000, -0.0022126900000000, -0.0006598700000000 ] - [ -0.0001809500000000, -0.0000080500000000, 0.0000077600000000 ] - [ 0.0000043300000000, -0.0001960600000000, -0.0005402800000000 ] - [ 0.0004352400000000, -0.0000541700000000, 0.0001967200000000 ] - [ 0.0001648000000000, -0.0000302800000000, 0.0000844900000000 ] - [ 0.0002258000000000, 0.0006603500000000, -0.0000963400000000 ] - [ -0.0001357800000000, 0.0003700900000000, 0.0002307000000000 ] - [ -0.0002766100000000, 0.0005304800000000, 0.0000753900000000 ] - [ -0.0009975500000000, -0.0014491000000000, 0.0000251400000000 ] - [ -0.0000540300000000, 0.0002610300000000, -0.0002619900000000 ] - [ 0.0002049600000000, -0.0001138700000000, 0.0003297400000000 ] - [ 0.0001058500000000, -0.0000396000000000, 0.0003335500000000 ] - [ -0.0000446300000000, -0.0011928300000000, -0.0003777200000000 ] - [ 0.0001758400000000, 0.0005543500000000, 0.0003912400000000 ] - [ -0.0011706200000000, 0.0006853000000000, -0.0009537500000000 ] - [ 0.0000989500000000, 0.0007981200000000, -0.0000336200000000 ] - [ -0.0013077500000000, -0.0014157100000000, -0.0020858900000000 ] - [ -0.0002151900000000, 0.0008451700000000, 0.0001913500000000 ] - [ -0.0000229300000000, -0.0002061900000000, -0.0000345100000000 ] - [ 0.0002252600000000, 0.0008494900000000, -0.0001765300000000 ] - [ 0.0000052500000000, -0.0007201400000000, -0.0000639800000000 ] - [ 0.0003606000000000, 0.0000211900000000, -0.0002136800000000 ] - [ -0.0010860800000000, -0.0002521600000000, 0.0008357400000000 ] - [ -0.0002713300000000, 0.0000712300000000, 0.0002089900000000 ] - [ 0.0001166800000000, -0.0004676700000000, -0.0001453000000000 ] - [ 0.0001611400000000, 0.0005582500000000, 0.0000140500000000 ] - [ -0.0004669900000000, 0.0008588200000000, -0.0007883100000000 ] - [ 0.0001171100000000, 0.0007247100000000, 0.0002263300000000 ] - [ -0.0004108600000000, -0.0013482300000000, 0.0005900300000000 ] - [ -0.0001205300000000, 0.0000601200000000, 0.0000241200000000 ] - [ 0.0001204700000000, -0.0005844000000000, 0.0002136400000000 ] - [ 0.0001553300000000, 0.0002586400000000, -0.0001571900000000 ] - [ 0.0291296800000000, -0.0682786600000000, 0.0099961700000000 ] - [ 0.0001196300000000, 0.0008365300000000, 0.0001225800000000 ] - [ 0.0004954400000000, 0.0002801200000000, -0.0006783500000000 ] - [ -0.0001812400000000, 0.0007355200000000, -0.0000332900000000 ] - [ 0.0005962000000000, -0.0008377500000000, 0.0003889100000000 ] - [ -0.0001875100000000, 0.0001433500000000, -0.0001777900000000 ] - [ -0.0002952800000000, -0.0003714300000000, -0.0000738900000000 ] - [ 0.0001792100000000, 0.0000660900000000, 0.0001958700000000 ] - [ -0.0298290100000000, 0.0755467800000000, 0.0021356900000000 ] - [ -0.0000360500000000, -0.0000744900000000, 0.0000362800000000 ] - [ 0.0001324000000000, 0.0000110700000000, -0.0001401700000000 ] - [ -0.0000442700000000, 0.0000097800000000, 0.0000987800000000 ] - [ 0.0003122400000000, 0.0021454800000000, 0.0016516600000000 ] - [ 0.0001104500000000, -0.0004241000000000, -0.0000364800000000 ] - [ -0.0001201600000000, -0.0003439100000000, -0.0000039800000000 ] - [ -0.0001033900000000, -0.0005205100000000, 0.0000288400000000 ] - [ 0.0005601200000000, -0.0023543600000000, -0.0071974400000000 ] - [ -0.0000558100000000, -0.0001780100000000, -0.0001736800000000 ] - [ -0.0019035300000000, -0.0005233500000000, 0.0001010900000000 ] - [ 0.0000866800000000, -0.0001851700000000, 0.0001603800000000 ] - [ -0.0001957400000000, 0.0000133400000000, 0.0000466100000000 ] - [ 0.0000068100000000, -0.0003453000000000, 0.0001355100000000 ] - [ -0.0006131000000000, -0.0006584300000000, 0.0011116100000000 ] - [ 0.0000394500000000, -0.0004794700000000, -0.0001936000000000 ] - [ 0.0005036000000000, 0.0006303600000000, -0.0007656700000000 ] - [ 0.0004597000000000, -0.0003490700000000, -0.0003046000000000 ] - [ -0.0006057600000000, -0.0000333700000000, 0.0002977600000000 ] - [ -0.0005002100000000, -0.0002410600000000, 0.0003390800000000 ] - [ -0.0003321300000000, 0.0006876700000000, 0.0002598300000000 ] - [ -0.0005397700000000, -0.0002191700000000, 0.0003685300000000 ] - [ -0.0012941600000000, -0.0015643000000000, -0.0008108100000000 ] - [ 0.0006792200000000, -0.0003192900000000, -0.0004269200000000 ] - [ 0.0002329500000000, 0.0003220200000000, 0.0000174000000000 ] - [ 0.0000270600000000, -0.0002468900000000, -0.0000698800000000 ] - [ -0.0000727700000000, 0.0003112300000000, 0.0002857800000000 ] - [ -0.0000864000000000, -0.0002730900000000, 0.0000063000000000 ] - [ 0.0001902000000000, 0.0003315500000000, -0.0000608600000000 ] - [ -0.0001105000000000, -0.0002476800000000, 0.0000844800000000 ] - [ 0.0044501100000000, -0.0025079600000000, -0.0006325900000000 ] - [ 0.0000526000000000, -0.0003914400000000, 0.0000358800000000 ] - [ 0.0000820200000000, 0.0006679900000000, 0.0016842800000000 ] - [ 0.0008770600000000, -0.0005001800000000, 0.0001139100000000 ] - [ -0.0006162600000000, 0.0041100700000000, -0.0058413800000000 ] - [ -0.0010017800000000, -0.0005925400000000, -0.0002144500000000 ] - [ -0.0006736200000000, 0.0008284800000000, -0.0002413300000000 ] - [ -0.0008481800000000, -0.0001078500000000, -0.0003015400000000 ] - [ 0.0012051600000000, -0.0013433700000000, -0.0010871900000000 ] - [ 0.0008614000000000, -0.0000887700000000, 0.0004400900000000 ] - [ 0.0004765000000000, 0.0003654200000000, -0.0009181100000000 ] - [ -0.0000345200000000, -0.0006510800000000, -0.0002030500000000 ] - [ 0.0000655100000000, -0.0003251500000000, 0.0003325500000000 ] - [ -0.0000665100000000, -0.0005551900000000, 0.0000769300000000 ] - [ 0.0024730100000000, 0.0008319400000000, -0.0004077200000000 ] - [ -0.0001625200000000, -0.0000432600000000, 0.0002751100000000 ] - [ 0.0004905600000000, -0.0017549500000000, 0.0022093400000000 ] - [ 0.0002290200000000, -0.0001685200000000, -0.0002750300000000 ] - [ 0.0011801100000000, 0.0028139200000000, 0.0004655100000000 ] - [ -0.0006545400000000, -0.0000297600000000, 0.0004448500000000 ] - [ 0.0006875600000000, 0.0002142800000000, -0.0003558400000000 ] - [ 0.0007579200000000, -0.0003384500000000, -0.0002482400000000 ] - [ 0.0007315200000000, 0.0000281200000000, -0.0002889100000000 ] - [ 0.0005396000000000, -0.0005557700000000, -0.0003835100000000 ] - [ -0.0004020200000000, -0.0004410300000000, 0.0001504400000000 ] - [ -0.0007001700000000, -0.0004407700000000, 0.0005385400000000 ] - [ -0.0006793400000000, 0.0013589900000000, 0.0011961400000000 ] - [ -0.0001534900000000, 0.0003380800000000, 0.0003566300000000 ] - [ 0.0002088500000000, 0.0008802500000000, -0.0001554400000000 ] - [ 0.0000593900000000, 0.0005002100000000, -0.0005749900000000 ] - [ 0.0002821700000000, 0.0001487300000000, -0.0005333500000000 ] - [ 0.0000772300000000, -0.0011088400000000, -0.0003585900000000 ] - [ -0.0003792000000000, -0.0008696000000000, 0.0000185700000000 ] - [ 0.0001151400000000, -0.0010479800000000, 0.0005117800000000 ]- atom: 49 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0002936100000000, -0.0003095000000000, -0.0014192900000000 ] - [ -0.0000423500000000, 0.0004814800000000, 0.0000001300000000 ] - [ 0.0003362100000000, 0.0003525700000000, 0.0000254800000000 ] - [ 0.0000155100000000, 0.0004885400000000, -0.0000047900000000 ] - [ -0.0007763700000000, 0.0003848900000000, -0.0010250900000000 ] - [ 0.0000086000000000, -0.0005332600000000, -0.0000432100000000 ] - [ 0.0000157700000000, 0.0002036600000000, 0.0001176100000000 ] - [ -0.0000393200000000, -0.0005603000000000, 0.0001108900000000 ] - [ 0.0000611900000000, -0.0005031400000000, 0.0019870900000000 ] - [ -0.0001867700000000, -0.0003807500000000, 0.0001138700000000 ] - [ 0.0003302600000000, -0.0004121400000000, 0.0002736500000000 ] - [ 0.0001682100000000, -0.0004383500000000, 0.0000916200000000 ] - [ -0.0000241900000000, 0.0003848200000000, -0.0006374100000000 ] - [ 0.0001722000000000, 0.0003471000000000, -0.0001103400000000 ] - [ -0.0001511100000000, 0.0003135300000000, -0.0003661700000000 ] - [ -0.0001672900000000, 0.0003888700000000, -0.0001692000000000 ] - [ 0.0002857000000000, -0.0003447600000000, 0.0000071400000000 ] - [ -0.0001150900000000, -0.0001723000000000, -0.0003224800000000 ] - [ -0.0000553800000000, -0.0001945400000000, 0.0001535900000000 ] - [ 0.0000471000000000, -0.0001245000000000, 0.0001413500000000 ] - [ 0.0004467600000000, 0.0004542800000000, 0.0010754600000000 ] - [ 0.0001123800000000, 0.0001386000000000, 0.0003406500000000 ] - [ -0.0004773200000000, 0.0002942500000000, -0.0006058500000000 ] - [ -0.0003574400000000, -0.0003788000000000, -0.0002633300000000 ] - [ -0.0033803000000000, -0.0012907800000000, 0.0053762000000000 ] - [ -0.0002981500000000, 0.0002713400000000, 0.0001873500000000 ] - [ -0.0004146300000000, -0.0001636500000000, 0.0004567900000000 ] - [ 0.0002903200000000, 0.0003308700000000, -0.0000489700000000 ] - [ 0.0002369700000000, -0.0003846700000000, -0.0012431500000000 ] - [ 0.0002905900000000, -0.0003714600000000, -0.0002259700000000 ] - [ 0.0001413100000000, -0.0006730300000000, -0.0000296400000000 ] - [ -0.0002355500000000, -0.0001701100000000, 0.0001389600000000 ] - [ -0.0000795200000000, 0.0005200400000000, -0.0020407900000000 ] - [ 0.0001619100000000, 0.0002317200000000, -0.0000866500000000 ] - [ -0.0001645000000000, 0.0005343700000000, -0.0005685900000000 ] - [ -0.0003367200000000, -0.0000391000000000, -0.0000608800000000 ] - [ 0.0004451500000000, -0.0004068100000000, -0.0002271200000000 ] - [ -0.0001450600000000, -0.0002632300000000, 0.0000509400000000 ] - [ -0.0000942700000000, -0.0009140200000000, 0.0008939600000000 ] - [ 0.0003749600000000, -0.0000173000000000, 0.0002275100000000 ] - [ -0.0074843900000000, 0.0158999700000000, -0.0011753300000000 ] - [ 0.0001576000000000, 0.0002224600000000, 0.0002103800000000 ] - [ 0.0001637400000000, 0.0012079700000000, 0.0003900600000000 ] - [ -0.0001339200000000, 0.0001596700000000, -0.0000167400000000 ] - [ -0.0003420100000000, -0.0008021300000000, 0.0001124500000000 ] - [ -0.0001433500000000, -0.0002466900000000, -0.0001960600000000 ] - [ 0.0003781000000000, -0.0004209100000000, -0.0007083100000000 ] - [ 0.0001500700000000, -0.0003071200000000, 0.0000326900000000 ] - [ 0.0046705600000000, -0.0111867100000000, -0.0211395400000000 ] - [ -0.0000802300000000, 0.0002089600000000, 0.0000022300000000 ] - [ 0.0000540100000000, 0.0003637300000000, -0.0001463300000000 ] - [ 0.0000477100000000, 0.0000796600000000, -0.0001488500000000 ] - [ 0.0034759900000000, -0.0017405700000000, 0.0036166800000000 ] - [ 0.0000738000000000, -0.0001836200000000, -0.0000110600000000 ] - [ -0.0001131600000000, -0.0002184300000000, 0.0002123600000000 ] - [ -0.0001571200000000, -0.0001937400000000, 0.0002542600000000 ] - [ -0.0005079500000000, 0.0026985500000000, 0.0043145900000000 ] - [ -0.0000333100000000, 0.0000928300000000, -0.0002026900000000 ] - [ -0.0003423500000000, -0.0001484900000000, -0.0003678000000000 ] - [ 0.0000202300000000, 0.0000440300000000, 0.0000554000000000 ] - [ -0.0001267400000000, -0.0002141100000000, 0.0007708400000000 ] - [ 0.0000128900000000, -0.0001508700000000, 0.0002053200000000 ] - [ -0.0001764400000000, -0.0009141700000000, 0.0006806500000000 ] - [ -0.0000254600000000, -0.0000612900000000, -0.0001048500000000 ] - [ 0.0002959400000000, -0.0002803700000000, 0.0003808400000000 ] - [ 0.0004895400000000, -0.0000607200000000, -0.0003061300000000 ] - [ -0.0003846800000000, 0.0000114700000000, 0.0003684400000000 ] - [ -0.0004237800000000, -0.0001159700000000, 0.0004071200000000 ] - [ -0.0003831700000000, -0.0000694400000000, 0.0001487300000000 ] - [ -0.0004869000000000, 0.0001038000000000, 0.0003074200000000 ] - [ 0.0007953800000000, 0.0001126300000000, -0.0006523500000000 ] - [ 0.0005598500000000, 0.0000886800000000, -0.0004833400000000 ] - [ -0.0000108600000000, -0.0001735200000000, 0.0000923600000000 ] - [ 0.0000760200000000, 0.0000754200000000, -0.0000071000000000 ] - [ 0.0000722000000000, -0.0000410800000000, 0.0000899200000000 ] - [ -0.0000731300000000, 0.0000629600000000, 0.0000714600000000 ] - [ 0.0003036000000000, 0.0003311200000000, -0.0000077100000000 ] - [ -0.0000835200000000, -0.0000401300000000, 0.0000441600000000 ] - [ -0.0015017800000000, 0.0013645800000000, -0.0003948900000000 ] - [ 0.0000666800000000, -0.0000001200000000, -0.0000805100000000 ] - [ -0.0017816900000000, -0.0008475100000000, 0.0038637000000000 ] - [ 0.0008387400000000, -0.0001460100000000, 0.0002413300000000 ] - [ 0.0020349400000000, -0.0047499800000000, 0.0005256500000000 ] - [ -0.0007160000000000, -0.0000118400000000, -0.0003888800000000 ] - [ -0.0012084500000000, 0.0003820700000000, 0.0005010400000000 ] - [ -0.0008696200000000, 0.0002041200000000, -0.0001813700000000 ] - [ 0.0006147900000000, 0.0017438800000000, -0.0000109700000000 ] - [ 0.0008106900000000, 0.0000166900000000, 0.0002652000000000 ] - [ 0.0001056900000000, 0.0003389200000000, 0.0021133800000000 ] - [ 0.0000484600000000, -0.0003498200000000, -0.0001771300000000 ] - [ -0.0000334600000000, -0.0003711100000000, 0.0006743000000000 ] - [ -0.0000321500000000, -0.0002802700000000, 0.0003954500000000 ] - [ -0.0017419200000000, 0.0004017500000000, -0.0002032500000000 ] - [ -0.0000485300000000, 0.0003722200000000, 0.0001531000000000 ] - [ 0.0005432200000000, -0.0015444100000000, -0.0004352500000000 ] - [ -0.0000185000000000, 0.0005025700000000, -0.0004627800000000 ] - [ 0.0067465600000000, 0.0024965100000000, 0.0038772100000000 ] - [ -0.0005701000000000, 0.0003072300000000, 0.0003974300000000 ] - [ 0.0006404800000000, 0.0002641100000000, -0.0006334700000000 ] - [ 0.0004230100000000, 0.0004076000000000, -0.0004770500000000 ] - [ 0.0010946400000000, -0.0001058100000000, 0.0009154100000000 ] - [ 0.0006068600000000, -0.0002627000000000, -0.0003822400000000 ] - [ -0.0007256000000000, -0.0001441200000000, 0.0005040600000000 ] - [ -0.0006577100000000, -0.0003779500000000, 0.0004890600000000 ] - [ -0.0012909500000000, -0.0001054200000000, -0.0004645600000000 ] - [ -0.0001079900000000, 0.0007802300000000, 0.0003470400000000 ] - [ 0.0002702500000000, 0.0004705400000000, -0.0003621900000000 ] - [ 0.0001788100000000, 0.0008696100000000, -0.0003904200000000 ] - [ -0.0001729500000000, -0.0007214900000000, -0.0005503500000000 ] - [ 0.0001224800000000, -0.0007661800000000, -0.0003707900000000 ] - [ -0.0000032700000000, -0.0006019400000000, 0.0008080000000000 ] - [ -0.0000565300000000, -0.0008041800000000, 0.0005293000000000 ]- atom: 49 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0002076900000000, 0.0012209400000000, 0.0014735800000000 ] - [ -0.0000363300000000, 0.0004199200000000, 0.0000529200000000 ] - [ -0.0002532500000000, 0.0005509200000000, -0.0000783700000000 ] - [ 0.0000637800000000, 0.0004126900000000, -0.0000466400000000 ] - [ 0.0008553500000000, -0.0012920800000000, 0.0009759700000000 ] - [ 0.0000703300000000, -0.0003716300000000, -0.0000101200000000 ] - [ -0.0000968200000000, -0.0011018500000000, -0.0000611000000000 ] - [ -0.0000389500000000, -0.0003449600000000, -0.0000574900000000 ] - [ -0.0004334700000000, -0.0002199100000000, -0.0018597700000000 ] - [ -0.0001943000000000, -0.0003539600000000, 0.0000117600000000 ] - [ 0.0000522300000000, -0.0003222000000000, -0.0003968800000000 ] - [ 0.0002107900000000, -0.0002962800000000, -0.0002185600000000 ] - [ 0.0004017900000000, 0.0003462300000000, 0.0005113500000000 ] - [ 0.0002085900000000, 0.0003845800000000, -0.0000140500000000 ] - [ -0.0002295300000000, 0.0004199900000000, 0.0004905400000000 ] - [ -0.0002129100000000, 0.0003445900000000, 0.0002933900000000 ] - [ -0.0005620100000000, 0.0000515700000000, -0.0006297000000000 ] - [ -0.0001362200000000, -0.0001224600000000, -0.0003314400000000 ] - [ 0.0003057900000000, -0.0000974300000000, 0.0004995700000000 ] - [ 0.0002035500000000, -0.0001694400000000, 0.0005122700000000 ] - [ -0.0001886500000000, -0.0001537800000000, -0.0004128000000000 ] - [ 0.0001386800000000, 0.0001519800000000, 0.0003128800000000 ] - [ 0.0002251500000000, 0.0000008100000000, -0.0000462500000000 ] - [ 0.0001062100000000, 0.0006694200000000, -0.0003930500000000 ] - [ 0.0028292700000000, 0.0020807500000000, -0.0054122200000000 ] - [ -0.0002950800000000, 0.0003966800000000, 0.0001833900000000 ] - [ 0.0010146100000000, 0.0008356900000000, -0.0008289700000000 ] - [ 0.0003026100000000, 0.0003390300000000, -0.0003211100000000 ] - [ 0.0003579100000000, -0.0002824600000000, 0.0008693400000000 ] - [ 0.0003021900000000, -0.0003003800000000, -0.0001447700000000 ] - [ -0.0007310900000000, -0.0000014000000000, 0.0004010400000000 ] - [ -0.0003580100000000, -0.0005008300000000, 0.0002332900000000 ] - [ 0.0004036700000000, 0.0000022000000000, 0.0019781900000000 ] - [ 0.0001535200000000, 0.0002776000000000, 0.0000251000000000 ] - [ -0.0001499200000000, -0.0000281600000000, 0.0006407400000000 ] - [ 0.0000193100000000, 0.0005468700000000, 0.0001217400000000 ] - [ -0.0007606900000000, -0.0000937900000000, 0.0002774700000000 ] - [ -0.0001703100000000, -0.0002485600000000, 0.0000105700000000 ] - [ 0.0004028700000000, 0.0003969400000000, -0.0009452500000000 ] - [ -0.0000605900000000, -0.0004986100000000, -0.0002883400000000 ] - [ 0.0076817200000000, -0.0151772200000000, 0.0014206500000000 ] - [ 0.0001190800000000, 0.0003647600000000, 0.0000369600000000 ] - [ -0.0004399100000000, -0.0006253000000000, -0.0006460200000000 ] - [ -0.0001432100000000, 0.0004281900000000, -0.0002307300000000 ] - [ 0.0000689800000000, 0.0002366900000000, -0.0003233500000000 ] - [ -0.0001334100000000, -0.0003452800000000, -0.0000498100000000 ] - [ -0.0000992900000000, -0.0001673800000000, 0.0009547300000000 ] - [ 0.0001262500000000, -0.0002850400000000, 0.0002137600000000 ] - [ -0.0047240100000000, 0.0113666000000000, 0.0215127700000000 ] - [ -0.0000731000000000, 0.0001881700000000, 0.0000647200000000 ] - [ 0.0000991000000000, 0.0000329000000000, 0.0000811300000000 ] - [ 0.0001053600000000, 0.0003166800000000, 0.0000828600000000 ] - [ -0.0032706700000000, 0.0013067800000000, -0.0036600400000000 ] - [ 0.0000793300000000, -0.0002112700000000, -0.0000558500000000 ] - [ -0.0000399000000000, -0.0001748700000000, -0.0001445000000000 ] - [ 0.0000035900000000, -0.0002022500000000, -0.0001869800000000 ] - [ 0.0005050800000000, -0.0023933800000000, -0.0046199700000000 ] - [ 0.0000207400000000, 0.0002378500000000, -0.0001082200000000 ] - [ 0.0003513900000000, 0.0004745000000000, 0.0006807000000000 ] - [ -0.0000080700000000, 0.0002885700000000, 0.0002558600000000 ] - [ 0.0001452500000000, -0.0001147100000000, -0.0004606600000000 ] - [ -0.0000003600000000, -0.0001784600000000, 0.0001057900000000 ] - [ 0.0001663800000000, 0.0005750900000000, -0.0009905400000000 ] - [ 0.0000125800000000, -0.0002669300000000, -0.0002060200000000 ] - [ 0.0007122600000000, 0.0001317200000000, -0.0010544800000000 ] - [ 0.0005207900000000, -0.0000818600000000, -0.0003706900000000 ] - [ -0.0006236900000000, -0.0001554700000000, 0.0003084000000000 ] - [ -0.0005864300000000, -0.0000273800000000, 0.0002695000000000 ] - [ -0.0006312100000000, 0.0002093200000000, 0.0005320300000000 ] - [ -0.0005231300000000, 0.0000414900000000, 0.0003695100000000 ] - [ 0.0002271600000000, 0.0000404200000000, -0.0000222800000000 ] - [ 0.0004492400000000, 0.0000573000000000, -0.0001938400000000 ] - [ 0.0001713500000000, 0.0001905800000000, -0.0001724700000000 ] - [ 0.0000799200000000, -0.0000522900000000, -0.0000852100000000 ] - [ -0.0002276800000000, 0.0000608200000000, -0.0000004500000000 ] - [ -0.0000824100000000, -0.0000393600000000, 0.0000215200000000 ] - [ -0.0004637600000000, -0.0003569200000000, 0.0001033100000000 ] - [ -0.0000719900000000, 0.0000190300000000, 0.0000486200000000 ] - [ 0.0016416100000000, -0.0013746300000000, 0.0002959500000000 ] - [ 0.0000891500000000, -0.0000200800000000, -0.0000127000000000 ] - [ 0.0035496500000000, 0.0005120500000000, -0.0034596400000000 ] - [ 0.0008770000000000, -0.0001929500000000, 0.0002218200000000 ] - [ -0.0037589900000000, 0.0043970900000000, -0.0009410500000000 ] - [ -0.0009976300000000, -0.0003259700000000, -0.0000740900000000 ] - [ -0.0005065800000000, -0.0000476400000000, -0.0009619900000000 ] - [ -0.0008465800000000, 0.0001383900000000, -0.0002805200000000 ] - [ 0.0011004900000000, -0.0013801100000000, 0.0004694800000000 ] - [ 0.0009062900000000, 0.0003259900000000, 0.0001945500000000 ] - [ 0.0000100200000000, -0.0009911600000000, -0.0025265000000000 ] - [ 0.0000690600000000, -0.0003161900000000, -0.0002782500000000 ] - [ -0.0000831600000000, -0.0002978600000000, -0.0002203400000000 ] - [ -0.0000847700000000, -0.0003859000000000, 0.0000605700000000 ] - [ 0.0016037700000000, 0.0002608300000000, 0.0006678100000000 ] - [ -0.0000678100000000, 0.0002970500000000, 0.0003016600000000 ] - [ -0.0004291400000000, 0.0022247300000000, -0.0000225800000000 ] - [ 0.0001350900000000, 0.0001672500000000, 0.0000095600000000 ] - [ -0.0080457700000000, -0.0019722400000000, -0.0030842600000000 ] - [ -0.0006070600000000, 0.0002560900000000, 0.0004257200000000 ] - [ 0.0005350900000000, 0.0002974400000000, -0.0001903300000000 ] - [ 0.0007521000000000, 0.0001558800000000, -0.0003461900000000 ] - [ 0.0000838400000000, -0.0004581300000000, -0.0017413300000000 ] - [ 0.0005709900000000, -0.0002981300000000, -0.0004407400000000 ] - [ -0.0004538600000000, -0.0004156300000000, 0.0003202000000000 ] - [ -0.0005196600000000, -0.0001829500000000, 0.0003325400000000 ] - [ 0.0010466100000000, 0.0016172800000000, 0.0011948600000000 ] - [ -0.0001214800000000, 0.0007501200000000, 0.0004162800000000 ] - [ -0.0000408500000000, 0.0010586900000000, -0.0004016400000000 ] - [ 0.0000511500000000, 0.0006598300000000, -0.0003708900000000 ] - [ 0.0004003900000000, -0.0008089300000000, -0.0002151000000000 ] - [ 0.0001076500000000, -0.0007607800000000, -0.0003926600000000 ] - [ -0.0002253300000000, -0.0009268000000000, -0.0000430500000000 ] - [ -0.0001723800000000, -0.0007239400000000, 0.0002339200000000 ]- atom: 57 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0039334600000000, -0.0006122600000000, 0.0027274300000000 ] - [ -0.0000370600000000, 0.0003851900000000, -0.0000030100000000 ] - [ -0.0000919400000000, 0.0001944900000000, -0.0000347800000000 ] - [ -0.0000804800000000, 0.0005197300000000, -0.0002167000000000 ] - [ -0.0012815000000000, 0.0001713300000000, -0.0011029700000000 ] - [ -0.0001319800000000, -0.0006666400000000, -0.0000457600000000 ] - [ -0.0008015000000000, -0.0001620500000000, 0.0005571500000000 ] - [ -0.0000582900000000, -0.0005047300000000, 0.0000235200000000 ] - [ -0.0015241900000000, -0.0009914100000000, 0.0017118000000000 ] - [ -0.0002349000000000, -0.0004071000000000, 0.0001016300000000 ] - [ 0.0000592500000000, -0.0004340800000000, 0.0000149200000000 ] - [ -0.0005587700000000, -0.0003588800000000, -0.0000098500000000 ] - [ -0.0000544600000000, 0.0004881400000000, -0.0005637800000000 ] - [ 0.0001132200000000, 0.0002875800000000, -0.0001560000000000 ] - [ 0.0007022000000000, 0.0003135600000000, -0.0018392200000000 ] - [ -0.0001905600000000, 0.0003709600000000, 0.0000074100000000 ] - [ 0.0001019700000000, 0.0001597600000000, -0.0003812500000000 ] - [ -0.0000977900000000, -0.0001813400000000, -0.0002982300000000 ] - [ -0.0010675000000000, -0.0001955900000000, 0.0001470700000000 ] - [ 0.0000415500000000, -0.0002234400000000, 0.0002137800000000 ] - [ -0.0014106900000000, -0.0017125400000000, -0.0004824600000000 ] - [ 0.0000856200000000, 0.0001490800000000, 0.0003117500000000 ] - [ -0.0001145000000000, 0.0002086600000000, -0.0002904200000000 ] - [ 0.0008571800000000, 0.0001016500000000, 0.0002507800000000 ] - [ 0.0021005900000000, 0.0002112700000000, -0.0002081700000000 ] - [ -0.0001626200000000, -0.0000393600000000, 0.0001064100000000 ] - [ -0.0003854100000000, 0.0018093700000000, -0.0011281800000000 ] - [ 0.0002969200000000, 0.0002342200000000, -0.0002227100000000 ] - [ -0.0018701100000000, 0.0001652000000000, -0.0000191200000000 ] - [ 0.0002559700000000, -0.0003805900000000, -0.0002132600000000 ] - [ -0.0002553500000000, -0.0002988700000000, 0.0002218700000000 ] - [ -0.0000556200000000, -0.0004029300000000, 0.0004566100000000 ] - [ 0.0007937800000000, -0.0000043100000000, 0.0003980700000000 ] - [ 0.0002216600000000, 0.0002931600000000, -0.0000512700000000 ] - [ -0.0000899600000000, 0.0003733900000000, -0.0005084800000000 ] - [ -0.0001494000000000, 0.0002120500000000, 0.0000306600000000 ] - [ 0.0028900600000000, 0.0014408300000000, -0.0000093900000000 ] - [ -0.0001556400000000, -0.0002893300000000, 0.0000369900000000 ] - [ 0.0002493800000000, -0.0002431400000000, 0.0000391300000000 ] - [ 0.0006935200000000, 0.0000056400000000, 0.0004542700000000 ] - [ 0.0020261300000000, 0.0011098600000000, -0.0008247000000000 ] - [ 0.0001687800000000, 0.0002303200000000, 0.0001393700000000 ] - [ -0.0002000700000000, -0.0000145100000000, -0.0003100400000000 ] - [ 0.0005343300000000, 0.0010354800000000, -0.0003573400000000 ] - [ 0.0000486900000000, -0.0004984300000000, -0.0000099300000000 ] - [ -0.0001864600000000, -0.0002636000000000, -0.0001425500000000 ] - [ 0.0004963400000000, 0.0008750300000000, 0.0013451200000000 ] - [ 0.0001435400000000, -0.0003512600000000, 0.0001360000000000 ] - [ -0.0007977400000000, -0.0004261900000000, -0.0007862000000000 ] - [ -0.0000926600000000, 0.0002477900000000, -0.0000002800000000 ] - [ 0.0014923000000000, -0.0017446100000000, 0.0000806700000000 ] - [ 0.0001189100000000, 0.0002778300000000, -0.0000038000000000 ] - [ 0.0000386400000000, 0.0000042500000000, -0.0001960400000000 ] - [ 0.0000888600000000, -0.0001986500000000, -0.0000228200000000 ] - [ -0.0000919100000000, -0.0001521700000000, 0.0000080700000000 ] - [ -0.0005024300000000, -0.0008123500000000, -0.0002968600000000 ] - [ -0.0228310100000000, -0.0024542200000000, -0.0039007600000000 ] - [ -0.0000320800000000, 0.0001808900000000, -0.0001640200000000 ] - [ -0.0000794100000000, 0.0004490700000000, 0.0001126000000000 ] - [ -0.0000779900000000, 0.0000344200000000, 0.0002576200000000 ] - [ 0.0000462200000000, 0.0001479100000000, 0.0001098100000000 ] - [ 0.0000853200000000, -0.0002084900000000, 0.0001514800000000 ] - [ -0.0005080400000000, -0.0001411700000000, -0.0005653000000000 ] - [ -0.0000166800000000, -0.0001399200000000, -0.0001660900000000 ] - [ -0.0009534400000000, -0.0008913000000000, 0.0018644600000000 ] - [ 0.0004699400000000, -0.0000263900000000, -0.0003210400000000 ] - [ -0.0005013800000000, 0.0000028500000000, 0.0004117400000000 ] - [ -0.0001242500000000, -0.0000989200000000, 0.0005540800000000 ] - [ 0.0004992900000000, 0.0004565800000000, 0.0000538400000000 ] - [ -0.0003611600000000, 0.0000646900000000, 0.0003053000000000 ] - [ 0.0034899300000000, 0.0015853500000000, -0.0033017700000000 ] - [ 0.0004974500000000, 0.0000907000000000, -0.0003417300000000 ] - [ -0.0000220300000000, -0.0001459300000000, 0.0001763800000000 ] - [ -0.0000051300000000, 0.0003898300000000, 0.0000586800000000 ] - [ 0.0003919300000000, -0.0004444700000000, 0.0008776200000000 ] - [ -0.0000648100000000, 0.0000379500000000, 0.0000564000000000 ] - [ 0.0008967700000000, -0.0000287700000000, 0.0003541900000000 ] - [ -0.0000361600000000, 0.0000100700000000, 0.0000345000000000 ] - [ 0.0001249000000000, -0.0001376700000000, -0.0001824000000000 ] - [ 0.0001737500000000, 0.0001105500000000, -0.0001297800000000 ] - [ 0.0001965300000000, 0.0012284900000000, 0.0002863400000000 ] - [ 0.0006003300000000, -0.0001698000000000, 0.0003552100000000 ] - [ -0.0013070300000000, -0.0015649900000000, 0.0015834600000000 ] - [ -0.0008971300000000, -0.0001176600000000, -0.0002334200000000 ] - [ 0.0025843800000000, 0.0004241100000000, -0.0059227500000000 ] - [ -0.0008656000000000, 0.0002030600000000, -0.0002051300000000 ] - [ 0.0007750300000000, 0.0001879900000000, 0.0002216900000000 ] - [ 0.0006930300000000, -0.0000359200000000, 0.0001628000000000 ] - [ -0.0002235800000000, -0.0004915800000000, -0.0004075100000000 ] - [ 0.0000068700000000, -0.0003799100000000, -0.0002382800000000 ] - [ 0.0005284100000000, -0.0010499200000000, 0.0001659600000000 ] - [ -0.0000685900000000, -0.0002664900000000, 0.0002533700000000 ] - [ 0.0039641100000000, 0.0019289600000000, 0.0078875700000000 ] - [ -0.0000555900000000, 0.0003645200000000, 0.0002094400000000 ] - [ -0.0001749900000000, 0.0002398100000000, -0.0002846800000000 ] - [ -0.0009210700000000, 0.0015341900000000, -0.0010871800000000 ] - [ 0.0029633900000000, -0.0055174600000000, -0.0024621400000000 ] - [ -0.0005278000000000, 0.0004128800000000, 0.0004017100000000 ] - [ 0.0014143800000000, -0.0000085900000000, -0.0001844300000000 ] - [ 0.0006449800000000, 0.0003338100000000, -0.0003843200000000 ] - [ 0.0007942700000000, 0.0002447900000000, -0.0001534500000000 ] - [ 0.0006609000000000, -0.0002249300000000, -0.0004085000000000 ] - [ -0.0005450400000000, -0.0002501500000000, 0.0004420200000000 ] - [ -0.0006694900000000, -0.0002622900000000, 0.0005053100000000 ] - [ 0.0003461100000000, 0.0006672900000000, 0.0002233500000000 ] - [ -0.0000992300000000, 0.0008155900000000, 0.0003685700000000 ] - [ 0.0003475000000000, 0.0005305300000000, -0.0003102500000000 ] - [ 0.0005984600000000, 0.0010703900000000, -0.0006836300000000 ] - [ 0.0005149300000000, -0.0003911200000000, -0.0000006600000000 ] - [ 0.0001371300000000, -0.0007378700000000, -0.0003254600000000 ] - [ 0.0018029000000000, 0.0039000400000000, 0.0047307600000000 ] - [ -0.0001018300000000, -0.0007668900000000, 0.0004034800000000 ]- atom: 57 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0042798000000000, 0.0016042200000000, -0.0028831600000000 ] - [ -0.0000417500000000, 0.0005177400000000, 0.0000559400000000 ] - [ 0.0001704500000000, 0.0007052400000000, -0.0000171400000000 ] - [ 0.0001604600000000, 0.0003851000000000, 0.0001640800000000 ] - [ 0.0013658400000000, -0.0010775000000000, 0.0010611300000000 ] - [ 0.0002106200000000, -0.0002345200000000, -0.0000073900000000 ] - [ 0.0007222300000000, -0.0007428800000000, -0.0005035500000000 ] - [ -0.0000205800000000, -0.0003973300000000, 0.0000300400000000 ] - [ 0.0011385000000000, 0.0002683000000000, -0.0015957500000000 ] - [ -0.0001464800000000, -0.0003256200000000, 0.0000235200000000 ] - [ 0.0003214700000000, -0.0002997200000000, -0.0001414500000000 ] - [ 0.0009361200000000, -0.0003746800000000, -0.0001170300000000 ] - [ 0.0004389500000000, 0.0002450600000000, 0.0004338500000000 ] - [ 0.0002679300000000, 0.0004458800000000, 0.0000314100000000 ] - [ -0.0010941500000000, 0.0004155200000000, 0.0019728300000000 ] - [ -0.0001904800000000, 0.0003621300000000, 0.0001177600000000 ] - [ -0.0003572200000000, -0.0004541300000000, -0.0002707500000000 ] - [ -0.0001534600000000, -0.0001111100000000, -0.0003557000000000 ] - [ 0.0013232600000000, -0.0000949500000000, 0.0005050700000000 ] - [ 0.0002101800000000, -0.0000694200000000, 0.0004408300000000 ] - [ 0.0016487600000000, 0.0019867900000000, 0.0011392900000000 ] - [ 0.0001661100000000, 0.0001437800000000, 0.0003421200000000 ] - [ -0.0001385000000000, 0.0000854700000000, -0.0003647300000000 ] - [ -0.0011317000000000, 0.0001477200000000, -0.0009229400000000 ] - [ -0.0027084300000000, 0.0004760600000000, 0.0005629200000000 ] - [ -0.0004299700000000, 0.0007070800000000, 0.0002625000000000 ] - [ 0.0009943100000000, -0.0011246800000000, 0.0007482300000000 ] - [ 0.0002964000000000, 0.0004362900000000, -0.0001480500000000 ] - [ 0.0024412100000000, -0.0008345200000000, -0.0003496700000000 ] - [ 0.0003367500000000, -0.0002888100000000, -0.0001575100000000 ] - [ -0.0003393100000000, -0.0003712200000000, 0.0001500800000000 ] - [ -0.0005407400000000, -0.0002661500000000, -0.0000854600000000 ] - [ -0.0004749500000000, 0.0005091800000000, -0.0004666900000000 ] - [ 0.0000938600000000, 0.0002178000000000, -0.0000100300000000 ] - [ -0.0002278500000000, 0.0001372600000000, 0.0005848000000000 ] - [ -0.0001653700000000, 0.0002991500000000, 0.0000314900000000 ] - [ -0.0029271800000000, -0.0018060200000000, 0.0000663600000000 ] - [ -0.0001592200000000, -0.0002206400000000, 0.0000244700000000 ] - [ 0.0000670300000000, -0.0002636700000000, -0.0001000200000000 ] - [ -0.0003806200000000, -0.0005229400000000, -0.0005109500000000 ] - [ -0.0017318700000000, -0.0005022800000000, 0.0011162200000000 ] - [ 0.0001085700000000, 0.0003599900000000, 0.0001069600000000 ] - [ -0.0000751900000000, 0.0006092600000000, 0.0000673200000000 ] - [ -0.0008048200000000, -0.0004451000000000, 0.0001086900000000 ] - [ -0.0003235700000000, -0.0000904700000000, -0.0002314000000000 ] - [ -0.0000893000000000, -0.0003267800000000, -0.0001021500000000 ] - [ -0.0002070400000000, -0.0014558800000000, -0.0011064400000000 ] - [ 0.0001339700000000, -0.0002380900000000, 0.0001105600000000 ] - [ 0.0006649500000000, 0.0007819600000000, 0.0008347600000000 ] - [ -0.0000604100000000, 0.0001483100000000, 0.0000671300000000 ] - [ -0.0013120400000000, 0.0021058200000000, -0.0001463900000000 ] - [ 0.0000341600000000, 0.0001171700000000, -0.0000635800000000 ] - [ 0.0001124400000000, -0.0003984700000000, 0.0001238200000000 ] - [ 0.0000644100000000, -0.0001976700000000, -0.0000444600000000 ] - [ -0.0000612800000000, -0.0002444200000000, 0.0000592100000000 ] - [ 0.0003480200000000, 0.0004117100000000, 0.0003644400000000 ] - [ 0.0227666300000000, 0.0026044900000000, 0.0037459500000000 ] - [ 0.0000197400000000, 0.0001487400000000, -0.0001466100000000 ] - [ 0.0000893300000000, -0.0001175300000000, 0.0001968700000000 ] - [ 0.0000891200000000, 0.0002968500000000, 0.0000540600000000 ] - [ -0.0000339200000000, -0.0004757600000000, 0.0002013300000000 ] - [ -0.0000731800000000, -0.0001223100000000, 0.0001587500000000 ] - [ 0.0004977400000000, -0.0001884900000000, 0.0002510700000000 ] - [ 0.0000043900000000, -0.0001904200000000, -0.0001448000000000 ] - [ 0.0019749400000000, 0.0007515300000000, -0.0025450000000000 ] - [ 0.0005407100000000, -0.0001177300000000, -0.0003558800000000 ] - [ -0.0005096400000000, -0.0001465100000000, 0.0002655100000000 ] - [ -0.0008895300000000, -0.0000455100000000, 0.0001198200000000 ] - [ -0.0015152600000000, -0.0003147600000000, 0.0006210200000000 ] - [ -0.0006493700000000, 0.0000780000000000, 0.0003722600000000 ] - [ -0.0025047600000000, -0.0014608200000000, 0.0026682500000000 ] - [ 0.0005137100000000, 0.0000523300000000, -0.0003352100000000 ] - [ 0.0001791300000000, 0.0001699100000000, -0.0002708200000000 ] - [ 0.0001617900000000, -0.0003697000000000, -0.0001496400000000 ] - [ -0.0005482500000000, 0.0004626700000000, -0.0007809500000000 ] - [ -0.0000908500000000, -0.0000161100000000, 0.0000361800000000 ] - [ -0.0010543000000000, 0.0000081400000000, -0.0002610900000000 ] - [ -0.0001195600000000, -0.0000321700000000, 0.0000585400000000 ] - [ 0.0000360400000000, 0.0001137300000000, 0.0000896100000000 ] - [ -0.0000166600000000, -0.0001335400000000, 0.0000369700000000 ] - [ 0.0014984000000000, -0.0015708500000000, 0.0001879500000000 ] - [ 0.0011143700000000, -0.0001703700000000, 0.0001084800000000 ] - [ -0.0004342400000000, 0.0012435900000000, -0.0020873200000000 ] - [ -0.0008192800000000, -0.0002238200000000, -0.0002290200000000 ] - [ -0.0042493700000000, -0.0000732700000000, 0.0053572600000000 ] - [ -0.0008508200000000, 0.0001379000000000, -0.0002574000000000 ] - [ 0.0009415500000000, 0.0001509500000000, 0.0002390700000000 ] - [ 0.0010254300000000, 0.0003793200000000, 0.0002975100000000 ] - [ 0.0003415600000000, -0.0001738400000000, -0.0000507200000000 ] - [ 0.0001107700000000, -0.0002872700000000, -0.0002173200000000 ] - [ -0.0006448200000000, 0.0003778000000000, 0.0002846500000000 ] - [ -0.0000487400000000, -0.0004010700000000, 0.0002011900000000 ] - [ -0.0040331400000000, -0.0012499700000000, -0.0072926700000000 ] - [ -0.0000617000000000, 0.0003024100000000, 0.0002461000000000 ] - [ 0.0002927700000000, 0.0004247800000000, -0.0001694900000000 ] - [ 0.0010404300000000, -0.0008626800000000, 0.0006320700000000 ] - [ -0.0041716000000000, 0.0061888300000000, 0.0033373600000000 ] - [ -0.0006488800000000, 0.0001492100000000, 0.0004219500000000 ] - [ -0.0002366000000000, 0.0005670600000000, -0.0006364300000000 ] - [ 0.0005329200000000, 0.0002271800000000, -0.0004379500000000 ] - [ 0.0004019600000000, -0.0008303700000000, -0.0006590000000000 ] - [ 0.0005167200000000, -0.0003374800000000, -0.0004144400000000 ] - [ -0.0006314900000000, -0.0003109500000000, 0.0003808500000000 ] - [ -0.0005046200000000, -0.0003000100000000, 0.0003157100000000 ] - [ -0.0005726700000000, 0.0008612400000000, 0.0005421100000000 ] - [ -0.0001302100000000, 0.0007123000000000, 0.0003948100000000 ] - [ -0.0001184600000000, 0.0010008400000000, -0.0004534700000000 ] - [ -0.0003661500000000, 0.0004543900000000, -0.0000753900000000 ] - [ -0.0002799100000000, -0.0011289200000000, -0.0007573500000000 ] - [ 0.0000927400000000, -0.0007911300000000, -0.0004381900000000 ] - [ -0.0020518700000000, -0.0055095200000000, -0.0040225600000000 ] - [ -0.0001266900000000, -0.0007616600000000, 0.0003599900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027666800000000, 0.0031569700000000, -0.0002166500000000 ] - [ -0.0000381900000000, -0.0000746800000000, -0.0000410100000000 ] - [ -0.0000069500000000, 0.0003068100000000, -0.0000979400000000 ] - [ 0.0000657200000000, 0.0003308700000000, -0.0000030000000000 ] - [ 0.0005372400000000, -0.0009769600000000, 0.0008262900000000 ] - [ -0.0001138700000000, -0.0008778300000000, -0.0000991400000000 ] - [ -0.0005277900000000, 0.0006014200000000, 0.0005307200000000 ] - [ -0.0000367500000000, -0.0008865700000000, -0.0000052400000000 ] - [ 0.0004882000000000, 0.0006844700000000, -0.0011309300000000 ] - [ -0.0002801700000000, -0.0006852700000000, 0.0001691100000000 ] - [ 0.0001841900000000, -0.0006357100000000, -0.0001705100000000 ] - [ 0.0001628800000000, -0.0003301300000000, 0.0001186800000000 ] - [ 0.0000827000000000, 0.0004784200000000, 0.0000179500000000 ] - [ 0.0000834600000000, 0.0000938400000000, -0.0001344300000000 ] - [ 0.0000871500000000, 0.0004168500000000, -0.0011430200000000 ] - [ -0.0001449500000000, 0.0000786900000000, 0.0000899900000000 ] - [ 0.0001557400000000, 0.0001625800000000, -0.0003598500000000 ] - [ -0.0002091300000000, -0.0004582500000000, -0.0003882400000000 ] - [ -0.0004090300000000, 0.0001163500000000, 0.0001189200000000 ] - [ 0.0001791400000000, -0.0004898400000000, 0.0004716100000000 ] - [ -0.0001059700000000, 0.0000016100000000, 0.0000704000000000 ] - [ 0.0000820600000000, -0.0001877600000000, 0.0003061600000000 ] - [ 0.0000316000000000, -0.0004328100000000, -0.0001366000000000 ] - [ -0.0013361300000000, -0.0000620400000000, -0.0014513800000000 ] - [ -0.0005812900000000, 0.0021985600000000, 0.0016272400000000 ] - [ -0.0003420200000000, -0.0008656700000000, -0.0001397100000000 ] - [ 0.0006948900000000, 0.0013226700000000, 0.0001130300000000 ] - [ 0.0003504400000000, -0.0000547900000000, -0.0002981900000000 ] - [ 0.0001714900000000, 0.0003065800000000, -0.0001882100000000 ] - [ 0.0002224300000000, -0.0007054400000000, -0.0001700600000000 ] - [ -0.0001815500000000, -0.0005682200000000, 0.0001241200000000 ] - [ -0.0003303200000000, -0.0003916000000000, -0.0000034300000000 ] - [ 0.0002117700000000, 0.0007430800000000, 0.0014109600000000 ] - [ 0.0002137300000000, -0.0000974400000000, -0.0002443300000000 ] - [ -0.0002537800000000, 0.0005335600000000, 0.0001649100000000 ] - [ -0.0001636100000000, 0.0000182100000000, 0.0000373900000000 ] - [ 0.0018659400000000, 0.0021159500000000, 0.0000823800000000 ] - [ -0.0001170300000000, -0.0006240900000000, 0.0000334200000000 ] - [ 0.0001498800000000, -0.0007030700000000, -0.0002527200000000 ] - [ 0.0000585400000000, -0.0001952100000000, 0.0014648200000000 ] - [ 0.0013755000000000, 0.0002305300000000, 0.0031370400000000 ] - [ 0.0002158100000000, -0.0001750400000000, 0.0001088900000000 ] - [ -0.0003530700000000, -0.0010953800000000, -0.0010940900000000 ] - [ 0.0005334200000000, -0.0004548700000000, -0.0002476900000000 ] - [ -0.0002516900000000, -0.0003884700000000, -0.0001874800000000 ] - [ -0.0000800900000000, -0.0005631800000000, -0.0001155200000000 ] - [ 0.0010438900000000, 0.0009632400000000, -0.0003144800000000 ] - [ 0.0000844000000000, -0.0007402600000000, 0.0001474700000000 ] - [ -0.0013233600000000, 0.0027068800000000, 0.0023081900000000 ] - [ -0.0001141800000000, 0.0005414900000000, -0.0000552100000000 ] - [ -0.0012180500000000, 0.0008874100000000, -0.0001474800000000 ] - [ 0.0001172300000000, 0.0005488800000000, 0.0001106400000000 ] - [ 0.0001508500000000, -0.0003795000000000, -0.0000620400000000 ] - [ 0.0000468500000000, -0.0000167300000000, -0.0000290500000000 ] - [ -0.0000405700000000, 0.0001185900000000, -0.0000634500000000 ] - [ -0.0003652200000000, 0.0002931100000000, 0.0007169400000000 ] - [ -0.0025089900000000, -0.0127693000000000, -0.0018926700000000 ] - [ 0.0000099600000000, 0.0004408500000000, -0.0001196900000000 ] - [ 0.0001392600000000, 0.0003214000000000, 0.0004098000000000 ] - [ -0.0002766900000000, 0.0003230100000000, -0.0000486200000000 ] - [ 0.0003189600000000, -0.0000845400000000, -0.0000088500000000 ] - [ -0.0000362200000000, -0.0000330900000000, 0.0002287500000000 ] - [ -0.0000296100000000, -0.0005402400000000, -0.0002177100000000 ] - [ -0.0000318100000000, 0.0000456800000000, -0.0001983500000000 ] - [ 0.0002469300000000, -0.0008638000000000, -0.0014518900000000 ] - [ 0.0005486400000000, 0.0002219200000000, -0.0003643000000000 ] - [ -0.0004921400000000, 0.0000828300000000, 0.0003349800000000 ] - [ -0.0003699800000000, -0.0000580100000000, 0.0004052300000000 ] - [ -0.0006294000000000, -0.0000171800000000, 0.0004572600000000 ] - [ -0.0004938500000000, 0.0003175300000000, 0.0002872400000000 ] - [ 0.0027922100000000, -0.0001809000000000, -0.0023207300000000 ] - [ 0.0004152200000000, 0.0003860800000000, -0.0002605200000000 ] - [ -0.0000113100000000, 0.0001008700000000, -0.0001800200000000 ] - [ 0.0002026100000000, 0.0003937700000000, 0.0002065400000000 ] - [ -0.0000437000000000, -0.0005365600000000, 0.0003029900000000 ] - [ -0.0000902500000000, 0.0002573400000000, 0.0000490300000000 ] - [ -0.0000881100000000, -0.0007862200000000, -0.0001665900000000 ] - [ -0.0000136800000000, 0.0003051300000000, 0.0000416100000000 ] - [ -0.0001274700000000, 0.0001694100000000, 0.0000761600000000 ] - [ 0.0002141000000000, 0.0001582500000000, -0.0001361600000000 ] - [ 0.0049197900000000, 0.0031394300000000, -0.0017253600000000 ] - [ 0.0005266100000000, 0.0003046500000000, 0.0005807100000000 ] - [ -0.0015848100000000, -0.0000375800000000, -0.0008078000000000 ] - [ -0.0008488300000000, 0.0001320900000000, -0.0002402600000000 ] - [ 0.0000059600000000, -0.0010081900000000, -0.0023787400000000 ] - [ -0.0008946100000000, 0.0004773500000000, -0.0001468100000000 ] - [ 0.0008357800000000, 0.0004255100000000, 0.0002887700000000 ] - [ 0.0008380900000000, 0.0001295500000000, 0.0000121500000000 ] - [ -0.0000848700000000, -0.0005129500000000, -0.0003162400000000 ] - [ 0.0001257100000000, -0.0000850200000000, -0.0001706900000000 ] - [ 0.0001001300000000, -0.0008995000000000, 0.0001987800000000 ] - [ -0.0001228200000000, -0.0000574700000000, 0.0002248000000000 ] - [ 0.0010884100000000, -0.0003533800000000, 0.0025602000000000 ] - [ 0.0000070700000000, 0.0006494200000000, 0.0001981700000000 ] - [ -0.0001532800000000, 0.0009673000000000, -0.0000243700000000 ] - [ -0.0010384000000000, 0.0040193000000000, -0.0021693800000000 ] - [ -0.0055478700000000, 0.0003020700000000, 0.0003853200000000 ] - [ -0.0003461000000000, 0.0007299500000000, 0.0004206000000000 ] - [ 0.0008525000000000, -0.0000137400000000, -0.0005469800000000 ] - [ 0.0005634700000000, 0.0005374700000000, -0.0003565300000000 ] - [ 0.0005222100000000, -0.0009406600000000, -0.0009698800000000 ] - [ 0.0006942400000000, 0.0000112900000000, -0.0004057800000000 ] - [ -0.0006516800000000, -0.0000854200000000, 0.0004389600000000 ] - [ -0.0004738700000000, -0.0003665400000000, 0.0003910500000000 ] - [ -0.0001574300000000, -0.0001018400000000, 0.0006082700000000 ] - [ -0.0000663400000000, 0.0010922700000000, 0.0003739200000000 ] - [ 0.0000001400000000, 0.0012329000000000, -0.0004817400000000 ] - [ 0.0006319000000000, 0.0008578700000000, -0.0002538100000000 ] - [ 0.0001474100000000, -0.0008272900000000, -0.0003676600000000 ] - [ 0.0001418100000000, -0.0005189200000000, -0.0003609500000000 ] - [ 0.0025335800000000, -0.0022868400000000, 0.0039489200000000 ] - [ -0.0001642800000000, -0.0004081100000000, 0.0003426600000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026709200000000, -0.0022823300000000, 0.0002727100000000 ] - [ -0.0000405400000000, 0.0009780500000000, 0.0000949300000000 ] - [ 0.0000852400000000, 0.0005987300000000, 0.0000447700000000 ] - [ 0.0000131500000000, 0.0005697800000000, -0.0000502400000000 ] - [ -0.0004569000000000, 0.0000728100000000, -0.0008760500000000 ] - [ 0.0001940200000000, -0.0000254500000000, 0.0000467300000000 ] - [ 0.0004493600000000, -0.0015068000000000, -0.0004781900000000 ] - [ -0.0000418500000000, -0.0000154500000000, 0.0000581900000000 ] - [ -0.0008759900000000, -0.0014159700000000, 0.0012478200000000 ] - [ -0.0001001000000000, -0.0000475400000000, -0.0000448000000000 ] - [ 0.0001961600000000, -0.0000961100000000, 0.0000443300000000 ] - [ 0.0002162200000000, -0.0004048300000000, -0.0002460600000000 ] - [ 0.0002954800000000, 0.0002564700000000, -0.0001407700000000 ] - [ 0.0002980900000000, 0.0006387900000000, 0.0000103600000000 ] - [ -0.0004711200000000, 0.0003180100000000, 0.0012717400000000 ] - [ -0.0002358000000000, 0.0006549200000000, 0.0000358400000000 ] - [ -0.0004057800000000, -0.0004520900000000, -0.0002946200000000 ] - [ -0.0000419200000000, 0.0001646700000000, -0.0002664500000000 ] - [ 0.0006633600000000, -0.0004105200000000, 0.0005374400000000 ] - [ 0.0000716200000000, 0.0001974600000000, 0.0001826000000000 ] - [ 0.0003628700000000, 0.0003000700000000, 0.0005884300000000 ] - [ 0.0001688800000000, 0.0004802100000000, 0.0003470500000000 ] - [ -0.0002835200000000, 0.0007247900000000, -0.0005178000000000 ] - [ 0.0010375300000000, 0.0002740600000000, 0.0007924700000000 ] - [ -0.0000470700000000, -0.0013623200000000, -0.0012393000000000 ] - [ -0.0002509000000000, 0.0015460200000000, 0.0005166700000000 ] - [ -0.0000942200000000, -0.0006580800000000, -0.0004871600000000 ] - [ 0.0002421400000000, 0.0007256500000000, -0.0000738800000000 ] - [ 0.0004289800000000, -0.0009776000000000, -0.0001836100000000 ] - [ 0.0003697600000000, 0.0000356200000000, -0.0002005000000000 ] - [ -0.0004115700000000, -0.0001007500000000, 0.0002479500000000 ] - [ -0.0002625100000000, -0.0002807800000000, 0.0003754700000000 ] - [ 0.0001080200000000, -0.0002204300000000, -0.0014580600000000 ] - [ 0.0001014200000000, 0.0006079500000000, 0.0001853400000000 ] - [ -0.0000634300000000, -0.0000239200000000, -0.0000947100000000 ] - [ -0.0001518900000000, 0.0004929800000000, 0.0000241300000000 ] - [ -0.0021231500000000, -0.0026155700000000, -0.0000223300000000 ] - [ -0.0001990000000000, 0.0001139500000000, 0.0000276900000000 ] - [ 0.0001659500000000, 0.0001945000000000, 0.0001913200000000 ] - [ 0.0002581600000000, -0.0003239800000000, -0.0015431200000000 ] - [ -0.0010934800000000, 0.0003269600000000, -0.0028744900000000 ] - [ 0.0000604300000000, 0.0007661800000000, 0.0001374600000000 ] - [ 0.0000774600000000, 0.0016712500000000, 0.0008321500000000 ] - [ -0.0008204800000000, 0.0010456800000000, 0.0000039000000000 ] - [ -0.0000257100000000, -0.0001977700000000, -0.0000563700000000 ] - [ -0.0001970900000000, -0.0000273200000000, -0.0001304000000000 ] - [ -0.0007642100000000, -0.0015620400000000, 0.0005570500000000 ] - [ 0.0001922100000000, 0.0001501800000000, 0.0000998300000000 ] - [ 0.0011683700000000, -0.0023161200000000, -0.0022226600000000 ] - [ -0.0000390000000000, -0.0001475500000000, 0.0001235600000000 ] - [ 0.0013895300000000, -0.0004947900000000, 0.0000811200000000 ] - [ 0.0000358200000000, -0.0001510600000000, -0.0001753300000000 ] - [ 0.0000016700000000, -0.0000193700000000, -0.0000078200000000 ] - [ 0.0001064200000000, -0.0003789800000000, -0.0000380100000000 ] - [ -0.0001127500000000, -0.0005132900000000, 0.0001292900000000 ] - [ 0.0002158300000000, -0.0006920000000000, -0.0006584300000000 ] - [ 0.0025669900000000, 0.0130652400000000, 0.0016307200000000 ] - [ -0.0000225900000000, -0.0001113000000000, -0.0001912000000000 ] - [ -0.0001261100000000, 0.0000068400000000, -0.0000953900000000 ] - [ 0.0002922300000000, 0.0000084500000000, 0.0003616700000000 ] - [ -0.0003028200000000, -0.0002471600000000, 0.0003169400000000 ] - [ 0.0000491200000000, -0.0002963900000000, 0.0000818500000000 ] - [ 0.0000183300000000, 0.0002111300000000, -0.0000937100000000 ] - [ 0.0000191100000000, -0.0003759300000000, -0.0001129300000000 ] - [ 0.0007646300000000, 0.0007122700000000, 0.0007839500000000 ] - [ 0.0004616000000000, -0.0003658500000000, -0.0003129400000000 ] - [ -0.0005175400000000, -0.0002275200000000, 0.0003415300000000 ] - [ -0.0006423300000000, -0.0000833300000000, 0.0002710500000000 ] - [ -0.0003828100000000, 0.0001556000000000, 0.0002228900000000 ] - [ -0.0005162400000000, -0.0001731900000000, 0.0003897400000000 ] - [ -0.0017862100000000, 0.0003387300000000, 0.0016544500000000 ] - [ 0.0005951100000000, -0.0002429500000000, -0.0004162300000000 ] - [ 0.0001678700000000, -0.0000815500000000, 0.0000899600000000 ] - [ -0.0000472500000000, -0.0003699300000000, -0.0003003200000000 ] - [ -0.0001140200000000, 0.0005605700000000, -0.0002138200000000 ] - [ -0.0000654100000000, -0.0002354400000000, 0.0000436100000000 ] - [ -0.0000734500000000, 0.0007623100000000, 0.0002599800000000 ] - [ -0.0001421200000000, -0.0003275100000000, 0.0000511400000000 ] - [ 0.0002846000000000, -0.0001933000000000, -0.0001690100000000 ] - [ -0.0000595300000000, -0.0001788100000000, 0.0000439100000000 ] - [ -0.0031153100000000, -0.0034132000000000, 0.0021477800000000 ] - [ 0.0011941600000000, -0.0006478500000000, -0.0001225300000000 ] - [ -0.0001447100000000, -0.0002776700000000, 0.0003179600000000 ] - [ -0.0008671000000000, -0.0004737100000000, -0.0002217200000000 ] - [ -0.0017289400000000, 0.0013412700000000, 0.0019268900000000 ] - [ -0.0008212900000000, -0.0001366600000000, -0.0003162900000000 ] - [ 0.0008798100000000, -0.0000859500000000, 0.0001734300000000 ] - [ 0.0008796100000000, 0.0002153400000000, 0.0004511800000000 ] - [ 0.0002000500000000, -0.0001580500000000, -0.0001419100000000 ] - [ -0.0000083400000000, -0.0005817700000000, -0.0002853000000000 ] - [ -0.0002189000000000, 0.0002344000000000, 0.0002551900000000 ] - [ 0.0000060700000000, -0.0006105700000000, 0.0002299500000000 ] - [ -0.0012206300000000, 0.0010037000000000, -0.0021201600000000 ] - [ -0.0001238500000000, 0.0000178300000000, 0.0002576200000000 ] - [ 0.0002667900000000, -0.0003060600000000, -0.0004303200000000 ] - [ 0.0011767900000000, -0.0034183900000000, 0.0017502200000000 ] - [ 0.0042876700000000, 0.0002329400000000, 0.0004224100000000 ] - [ -0.0008336800000000, -0.0001701300000000, 0.0004017000000000 ] - [ 0.0003230800000000, 0.0005775700000000, -0.0002748400000000 ] - [ 0.0006146000000000, 0.0000230900000000, -0.0004661100000000 ] - [ 0.0006518500000000, 0.0003794700000000, 0.0001391700000000 ] - [ 0.0004829900000000, -0.0005732600000000, -0.0004177800000000 ] - [ -0.0005258000000000, -0.0004771300000000, 0.0003835200000000 ] - [ -0.0007038100000000, -0.0001937800000000, 0.0004317000000000 ] - [ -0.0000725100000000, 0.0016312500000000, 0.0001562100000000 ] - [ -0.0001634100000000, 0.0004360300000000, 0.0003896200000000 ] - [ 0.0002290000000000, 0.0002951300000000, -0.0002810800000000 ] - [ -0.0004036300000000, 0.0006724000000000, -0.0005097500000000 ] - [ 0.0000816400000000, -0.0007038300000000, -0.0003958900000000 ] - [ 0.0000881100000000, -0.0010090800000000, -0.0004026000000000 ] - [ -0.0028019800000000, 0.0008013700000000, -0.0032335400000000 ] - [ -0.0000646300000000, -0.0011206100000000, 0.0004203000000000 ]- atom: 57 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0010620600000000, 0.0009133400000000, 0.0008900200000000 ] - [ -0.0000322200000000, 0.0004083400000000, 0.0000376100000000 ] - [ 0.0001192900000000, 0.0004922000000000, -0.0001436100000000 ] - [ -0.0000605500000000, 0.0005175100000000, -0.0002425600000000 ] - [ 0.0000794200000000, -0.0003172900000000, 0.0002623000000000 ] - [ -0.0000211400000000, -0.0005814100000000, -0.0000054800000000 ] - [ 0.0004750000000000, -0.0007429900000000, -0.0010369400000000 ] - [ -0.0000438700000000, -0.0004915400000000, -0.0000175800000000 ] - [ 0.0008087700000000, -0.0005587900000000, 0.0005841100000000 ] - [ -0.0001932400000000, -0.0003656700000000, 0.0001334400000000 ] - [ 0.0002711200000000, -0.0004121900000000, 0.0000872400000000 ] - [ 0.0006066800000000, -0.0001171900000000, 0.0005336100000000 ] - [ -0.0004280600000000, 0.0006755100000000, -0.0005448600000000 ] - [ 0.0001395100000000, 0.0003437100000000, -0.0001750100000000 ] - [ -0.0003454500000000, -0.0001408600000000, -0.0012195600000000 ] - [ -0.0001947800000000, 0.0004040100000000, 0.0000074400000000 ] - [ 0.0004656300000000, 0.0002116400000000, -0.0015546400000000 ] - [ -0.0001864700000000, -0.0001535100000000, -0.0004009200000000 ] - [ -0.0002208800000000, -0.0003919400000000, 0.0003491500000000 ] - [ 0.0001621000000000, -0.0000982100000000, 0.0003364500000000 ] - [ 0.0001488200000000, -0.0001938200000000, -0.0001838000000000 ] - [ 0.0001067200000000, 0.0001650300000000, 0.0003338000000000 ] - [ -0.0000173900000000, 0.0001480100000000, -0.0002139400000000 ] - [ -0.0008249800000000, -0.0009975500000000, 0.0007779300000000 ] - [ -0.0005079500000000, 0.0007441100000000, 0.0020360100000000 ] - [ -0.0003249300000000, 0.0002585400000000, 0.0002856300000000 ] - [ -0.0010825300000000, 0.0000880800000000, 0.0005698800000000 ] - [ 0.0003005600000000, 0.0002776600000000, -0.0001387300000000 ] - [ 0.0015166200000000, -0.0007156900000000, -0.0008379500000000 ] - [ 0.0002891400000000, -0.0003826400000000, -0.0002064500000000 ] - [ -0.0001352400000000, -0.0002647500000000, -0.0000836600000000 ] - [ -0.0001326000000000, -0.0003649100000000, -0.0005546400000000 ] - [ 0.0004760100000000, 0.0013424100000000, -0.0004044900000000 ] - [ 0.0001950900000000, 0.0000446000000000, -0.0000751100000000 ] - [ 0.0003474000000000, 0.0000749700000000, -0.0019712200000000 ] - [ -0.0002073800000000, 0.0001924900000000, -0.0000499800000000 ] - [ -0.0003232500000000, -0.0007991600000000, 0.0011557600000000 ] - [ -0.0001485600000000, -0.0002941000000000, 0.0000841200000000 ] - [ 0.0000733300000000, -0.0007359700000000, 0.0000466500000000 ] - [ 0.0002843000000000, 0.0007020900000000, 0.0002482200000000 ] - [ 0.0002612600000000, 0.0011998700000000, 0.0097566300000000 ] - [ 0.0001350800000000, 0.0002513600000000, 0.0001640200000000 ] - [ -0.0001315700000000, 0.0006404500000000, 0.0003875400000000 ] - [ -0.0001527500000000, 0.0000086700000000, 0.0002329300000000 ] - [ -0.0002220600000000, -0.0005946300000000, -0.0009355700000000 ] - [ -0.0001774200000000, -0.0001717100000000, -0.0003292100000000 ] - [ 0.0017651800000000, -0.0010013400000000, -0.0013572400000000 ] - [ 0.0001611700000000, -0.0002889400000000, 0.0000741600000000 ] - [ -0.0025635400000000, 0.0070784700000000, 0.0038603100000000 ] - [ -0.0000755400000000, 0.0001994600000000, -0.0000046200000000 ] - [ -0.0003236000000000, 0.0007663500000000, -0.0005747900000000 ] - [ 0.0000805200000000, 0.0001769300000000, -0.0001377700000000 ] - [ 0.0002371300000000, -0.0001625100000000, 0.0006816700000000 ] - [ 0.0000761000000000, -0.0001787900000000, 0.0000137800000000 ] - [ -0.0000793400000000, -0.0002493200000000, 0.0000899700000000 ] - [ -0.0001695000000000, 0.0011768100000000, 0.0008905200000000 ] - [ 0.0035328000000000, -0.0007610300000000, -0.0274415900000000 ] - [ -0.0000064300000000, 0.0001936400000000, -0.0001897900000000 ] - [ 0.0001292900000000, 0.0002674900000000, 0.0000267600000000 ] - [ -0.0000078800000000, -0.0000322500000000, -0.0000196700000000 ] - [ -0.0000491300000000, -0.0004182400000000, 0.0003341800000000 ] - [ -0.0000216700000000, -0.0000818800000000, 0.0002555400000000 ] - [ -0.0002267300000000, -0.0001133400000000, 0.0005876300000000 ] - [ -0.0000127400000000, -0.0001327100000000, -0.0001131900000000 ] - [ 0.0011855700000000, -0.0021212500000000, 0.0048235400000000 ] - [ 0.0005109900000000, -0.0000361100000000, -0.0003207500000000 ] - [ -0.0004736400000000, -0.0000880800000000, 0.0003905400000000 ] - [ -0.0001891700000000, -0.0002211300000000, 0.0006213400000000 ] - [ -0.0004728000000000, 0.0001037000000000, 0.0001484900000000 ] - [ -0.0004871600000000, 0.0001154200000000, 0.0002588900000000 ] - [ -0.0037679900000000, -0.0022007900000000, 0.0018905600000000 ] - [ 0.0004792500000000, 0.0001304700000000, -0.0003605400000000 ] - [ 0.0001570600000000, -0.0001770000000000, -0.0001001500000000 ] - [ 0.0001877500000000, 0.0002377800000000, -0.0000498300000000 ] - [ 0.0003955100000000, 0.0001546600000000, 0.0004737500000000 ] - [ -0.0000729000000000, 0.0000320000000000, 0.0000771300000000 ] - [ -0.0002548700000000, 0.0000171300000000, -0.0002304200000000 ] - [ -0.0000822500000000, 0.0000065000000000, 0.0000297300000000 ] - [ -0.0004089500000000, 0.0002365700000000, 0.0000235000000000 ] - [ 0.0000386400000000, -0.0002089000000000, -0.0000059200000000 ] - [ 0.0006860800000000, -0.0015659700000000, -0.0005106400000000 ] - [ 0.0008686900000000, -0.0001161500000000, 0.0001297700000000 ] - [ 0.0016486000000000, -0.0036872100000000, 0.0060783100000000 ] - [ -0.0008070200000000, -0.0000768800000000, -0.0002191400000000 ] - [ -0.0040772700000000, -0.0006758800000000, 0.0018493800000000 ] - [ -0.0008702100000000, 0.0002136300000000, -0.0002287000000000 ] - [ 0.0007544600000000, 0.0003383900000000, 0.0005221500000000 ] - [ 0.0004610500000000, -0.0002712700000000, 0.0006307000000000 ] - [ -0.0003068800000000, -0.0007653200000000, 0.0002903200000000 ] - [ 0.0000420000000000, -0.0002938900000000, -0.0000137400000000 ] - [ -0.0004847000000000, 0.0000562800000000, 0.0007920300000000 ] - [ -0.0000566900000000, -0.0003295000000000, 0.0002877600000000 ] - [ 0.0018917700000000, 0.0016445100000000, -0.0009296700000000 ] - [ -0.0000509000000000, 0.0003559400000000, 0.0001740200000000 ] - [ 0.0000999000000000, 0.0003032300000000, -0.0006486000000000 ] - [ 0.0000149100000000, 0.0003549700000000, -0.0009652900000000 ] - [ -0.0010712100000000, -0.0002635600000000, -0.0015039100000000 ] - [ -0.0005610700000000, 0.0003364700000000, 0.0003421900000000 ] - [ 0.0004239100000000, 0.0002009900000000, -0.0004786100000000 ] - [ 0.0005340500000000, 0.0003798900000000, -0.0004453400000000 ] - [ 0.0006124000000000, -0.0002231800000000, -0.0005884600000000 ] - [ 0.0006095700000000, -0.0002240800000000, -0.0003826200000000 ] - [ -0.0006087200000000, -0.0002819400000000, 0.0005160400000000 ] - [ -0.0005912400000000, -0.0003810000000000, 0.0011026000000000 ] - [ -0.0002316800000000, 0.0011182300000000, 0.0008852900000000 ] - [ -0.0001071200000000, 0.0007598300000000, 0.0003810300000000 ] - [ 0.0000864600000000, 0.0007487900000000, -0.0005139100000000 ] - [ 0.0002859100000000, 0.0009089100000000, -0.0007765500000000 ] - [ 0.0000801400000000, -0.0009185300000000, 0.0000300200000000 ] - [ 0.0001266100000000, -0.0007734800000000, -0.0003126500000000 ] - [ 0.0014568600000000, 0.0012631300000000, 0.0015249600000000 ] - [ -0.0001343000000000, -0.0007732300000000, 0.0003609500000000 ]- atom: 57 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0009670900000000, -0.0000015100000000, -0.0008430600000000 ] - [ -0.0000464300000000, 0.0004940100000000, 0.0000149300000000 ] - [ -0.0000396200000000, 0.0004097700000000, 0.0000904300000000 ] - [ 0.0001390100000000, 0.0003867000000000, 0.0001896500000000 ] - [ -0.0000074700000000, -0.0005799300000000, -0.0003247900000000 ] - [ 0.0000985700000000, -0.0003229800000000, -0.0000484200000000 ] - [ -0.0005522200000000, -0.0001622300000000, 0.0010880600000000 ] - [ -0.0000349100000000, -0.0004109900000000, 0.0000708900000000 ] - [ -0.0011931600000000, -0.0001782800000000, -0.0004415900000000 ] - [ -0.0001881900000000, -0.0003673800000000, -0.0000070200000000 ] - [ 0.0001104500000000, -0.0003202500000000, -0.0002102400000000 ] - [ -0.0002237400000000, -0.0006143200000000, -0.0006547200000000 ] - [ 0.0008136700000000, 0.0000550200000000, 0.0004184900000000 ] - [ 0.0002408000000000, 0.0003892900000000, 0.0000493300000000 ] - [ -0.0000252300000000, 0.0008726100000000, 0.0013323900000000 ] - [ -0.0001861800000000, 0.0003294800000000, 0.0001171100000000 ] - [ -0.0007173400000000, -0.0005064500000000, 0.0009058300000000 ] - [ -0.0000641200000000, -0.0001391200000000, -0.0002531500000000 ] - [ 0.0004653500000000, 0.0000985800000000, 0.0003006400000000 ] - [ 0.0000883500000000, -0.0001942600000000, 0.0003161100000000 ] - [ 0.0001065400000000, 0.0004895900000000, 0.0008401100000000 ] - [ 0.0001445000000000, 0.0001278700000000, 0.0003203500000000 ] - [ -0.0002332100000000, 0.0001461200000000, -0.0004397800000000 ] - [ 0.0005719000000000, 0.0012762400000000, -0.0014391700000000 ] - [ -0.0000744300000000, -0.0000639400000000, -0.0016634700000000 ] - [ -0.0002671300000000, 0.0004071800000000, 0.0000835500000000 ] - [ 0.0016675200000000, 0.0005744700000000, -0.0009312800000000 ] - [ 0.0002922900000000, 0.0003925700000000, -0.0002314600000000 ] - [ -0.0009368300000000, 0.0000492300000000, 0.0004683000000000 ] - [ 0.0003030900000000, -0.0002871200000000, -0.0001648200000000 ] - [ -0.0004558000000000, -0.0004068600000000, 0.0004538500000000 ] - [ -0.0004592000000000, -0.0003049000000000, 0.0009301000000000 ] - [ -0.0001607300000000, -0.0008376300000000, 0.0003351800000000 ] - [ 0.0001205000000000, 0.0004679900000000, 0.0000120200000000 ] - [ -0.0006568200000000, 0.0004272400000000, 0.0020232100000000 ] - [ -0.0001087300000000, 0.0003170800000000, 0.0001110500000000 ] - [ 0.0000222200000000, 0.0002898300000000, -0.0010845300000000 ] - [ -0.0001668000000000, -0.0002166000000000, -0.0000224500000000 ] - [ 0.0002407300000000, 0.0002204500000000, -0.0001052500000000 ] - [ 0.0000332200000000, -0.0012098500000000, -0.0002994600000000 ] - [ 0.0001206200000000, -0.0005127900000000, -0.0087622900000000 ] - [ 0.0001421100000000, 0.0003381000000000, 0.0000828200000000 ] - [ -0.0001461000000000, -0.0000454900000000, -0.0006301600000000 ] - [ -0.0001212500000000, 0.0005791200000000, -0.0004805700000000 ] - [ -0.0000585100000000, 0.0000027300000000, 0.0006843400000000 ] - [ -0.0001006200000000, -0.0004162700000000, 0.0000828300000000 ] - [ -0.0014945100000000, 0.0004074200000000, 0.0015926500000000 ] - [ 0.0001159200000000, -0.0003008500000000, 0.0001720800000000 ] - [ 0.0023698200000000, -0.0065545700000000, -0.0037412400000000 ] - [ -0.0000777400000000, 0.0001968700000000, 0.0000709200000000 ] - [ 0.0004753900000000, -0.0003701000000000, 0.0005098700000000 ] - [ 0.0000729800000000, 0.0002184700000000, 0.0000701500000000 ] - [ -0.0000826300000000, -0.0002365300000000, -0.0007506300000000 ] - [ 0.0000773200000000, -0.0002173600000000, -0.0000804800000000 ] - [ -0.0000741100000000, -0.0001469400000000, -0.0000221600000000 ] - [ 0.0000124000000000, -0.0016062800000000, -0.0008351700000000 ] - [ -0.0036012000000000, 0.0009414300000000, 0.0263158400000000 ] - [ -0.0000062600000000, 0.0001364700000000, -0.0001212200000000 ] - [ -0.0001157400000000, 0.0000621600000000, 0.0002828500000000 ] - [ 0.0000195900000000, 0.0003605700000000, 0.0003291000000000 ] - [ 0.0000613200000000, 0.0000904200000000, -0.0000218600000000 ] - [ 0.0000351600000000, -0.0002484200000000, 0.0000565000000000 ] - [ 0.0002138300000000, -0.0002152900000000, -0.0009004400000000 ] - [ 0.0000001500000000, -0.0001971600000000, -0.0001974000000000 ] - [ -0.0002064600000000, 0.0020125000000000, -0.0055830100000000 ] - [ 0.0004988700000000, -0.0001076700000000, -0.0003556600000000 ] - [ -0.0005364400000000, -0.0000556800000000, 0.0002869100000000 ] - [ -0.0008166300000000, 0.0000751800000000, 0.0000579300000000 ] - [ -0.0005367600000000, 0.0000366900000000, 0.0005275400000000 ] - [ -0.0005226300000000, 0.0000288200000000, 0.0004175900000000 ] - [ 0.0047116800000000, 0.0023051400000000, -0.0025394400000000 ] - [ 0.0005310300000000, 0.0000133400000000, -0.0003167600000000 ] - [ -0.0000010900000000, 0.0001977300000000, 0.0000103800000000 ] - [ -0.0000330900000000, -0.0002137500000000, -0.0000407500000000 ] - [ -0.0005489400000000, -0.0001319400000000, -0.0003804200000000 ] - [ -0.0000827900000000, -0.0000098900000000, 0.0000158100000000 ] - [ 0.0001042600000000, -0.0000378300000000, 0.0003263500000000 ] - [ -0.0000734500000000, -0.0000287500000000, 0.0000631300000000 ] - [ 0.0005604500000000, -0.0002576400000000, -0.0001177500000000 ] - [ 0.0001174000000000, 0.0001856900000000, -0.0000874400000000 ] - [ 0.0010141700000000, 0.0012193000000000, 0.0009846100000000 ] - [ 0.0008455400000000, -0.0002237300000000, 0.0003348700000000 ] - [ -0.0033253900000000, 0.0032932700000000, -0.0064548800000000 ] - [ -0.0009083200000000, -0.0002631000000000, -0.0002435200000000 ] - [ 0.0024083200000000, 0.0010483600000000, -0.0023107800000000 ] - [ -0.0008462100000000, 0.0001276600000000, -0.0002332400000000 ] - [ 0.0009609500000000, 0.0000051000000000, -0.0000580000000000 ] - [ 0.0012530800000000, 0.0006090800000000, -0.0001694200000000 ] - [ 0.0004265300000000, 0.0001015600000000, -0.0007423400000000 ] - [ 0.0000746500000000, -0.0003751100000000, -0.0004415900000000 ] - [ 0.0003710400000000, -0.0007252500000000, -0.0003324500000000 ] - [ -0.0000602800000000, -0.0003377800000000, 0.0001683400000000 ] - [ -0.0020027800000000, -0.0009688700000000, 0.0013678300000000 ] - [ -0.0000662900000000, 0.0003114900000000, 0.0002807000000000 ] - [ 0.0000166200000000, 0.0003622300000000, 0.0001883500000000 ] - [ 0.0000948300000000, 0.0003291800000000, 0.0004994000000000 ] - [ -0.0000822800000000, 0.0007980100000000, 0.0023038100000000 ] - [ -0.0006156600000000, 0.0002267500000000, 0.0004809600000000 ] - [ 0.0007527500000000, 0.0003607600000000, -0.0003453300000000 ] - [ 0.0006430100000000, 0.0001823900000000, -0.0003782000000000 ] - [ 0.0005658700000000, -0.0003382400000000, -0.0002286300000000 ] - [ 0.0005683100000000, -0.0003379500000000, -0.0004399500000000 ] - [ -0.0005691100000000, -0.0002793400000000, 0.0003074700000000 ] - [ -0.0005892300000000, -0.0001809100000000, -0.0002776300000000 ] - [ 0.0000001900000000, 0.0004118000000000, -0.0001276000000000 ] - [ -0.0001225800000000, 0.0007681900000000, 0.0003817800000000 ] - [ 0.0001439100000000, 0.0007763600000000, -0.0002484100000000 ] - [ -0.0000532200000000, 0.0006211900000000, 0.0000114400000000 ] - [ 0.0001475500000000, -0.0006095500000000, -0.0007955400000000 ] - [ 0.0001031600000000, -0.0007553000000000, -0.0004506900000000 ] - [ -0.0016850200000000, -0.0027764800000000, -0.0007316500000000 ] - [ -0.0000950000000000, -0.0007554500000000, 0.0004026200000000 ]- atom: 65 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0046742500000000, -0.0013622200000000, -0.0037746200000000 ] - [ -0.0000045700000000, 0.0004034000000000, 0.0000131600000000 ] - [ 0.0001926400000000, 0.0013145100000000, -0.0000894500000000 ] - [ 0.0000152100000000, 0.0002824700000000, -0.0000825100000000 ] - [ -0.0003033500000000, 0.0007432000000000, 0.0009808900000000 ] - [ -0.0000432100000000, -0.0007765800000000, -0.0000571000000000 ] - [ 0.0009694900000000, 0.0001698800000000, 0.0002067300000000 ] - [ -0.0000016000000000, -0.0005886300000000, 0.0001101400000000 ] - [ -0.0008532200000000, -0.0010471300000000, 0.0010855200000000 ] - [ -0.0001990200000000, -0.0004447100000000, 0.0001255900000000 ] - [ 0.0002202400000000, -0.0003974000000000, 0.0000794600000000 ] - [ 0.0001363700000000, -0.0002267300000000, 0.0001172300000000 ] - [ 0.0006977900000000, 0.0004862700000000, -0.0005471100000000 ] - [ 0.0001379300000000, 0.0002274900000000, -0.0001124000000000 ] - [ 0.0009747100000000, -0.0003744200000000, -0.0010303700000000 ] - [ -0.0000134800000000, 0.0004478700000000, -0.0000919000000000 ] - [ 0.0007845300000000, -0.0007338000000000, 0.0013299900000000 ] - [ -0.0000634900000000, -0.0002088800000000, -0.0002968500000000 ] - [ -0.0009099100000000, -0.0001679400000000, 0.0001457800000000 ] - [ -0.0000004400000000, -0.0001155500000000, 0.0002883900000000 ] - [ -0.0000957500000000, -0.0001895600000000, -0.0002847700000000 ] - [ 0.0000830700000000, 0.0000580200000000, 0.0003099200000000 ] - [ 0.0000041200000000, 0.0002282900000000, -0.0000877900000000 ] - [ 0.0011510400000000, -0.0004482300000000, 0.0012200900000000 ] - [ 0.0016111800000000, 0.0006533600000000, -0.0000200700000000 ] - [ -0.0001915700000000, 0.0001512700000000, 0.0002314400000000 ] - [ -0.0000551800000000, -0.0000260700000000, -0.0006794300000000 ] - [ 0.0002404400000000, 0.0002896400000000, -0.0002284100000000 ] - [ -0.0028776800000000, -0.0013920500000000, 0.0002155000000000 ] - [ 0.0002207200000000, -0.0004092100000000, -0.0002034400000000 ] - [ -0.0001447300000000, -0.0019695900000000, 0.0008206000000000 ] - [ 0.0000866000000000, 0.0000001500000000, 0.0006714800000000 ] - [ 0.0001431200000000, -0.0014272600000000, 0.0001327400000000 ] - [ 0.0001970300000000, 0.0003503300000000, -0.0000705800000000 ] - [ -0.0011814700000000, 0.0004093200000000, 0.0001073600000000 ] - [ -0.0003775400000000, 0.0001494900000000, -0.0000308100000000 ] - [ -0.0000910000000000, -0.0000896400000000, -0.0013910000000000 ] - [ -0.0001925100000000, -0.0003340400000000, -0.0000031300000000 ] - [ 0.0000875500000000, -0.0003190800000000, 0.0003520400000000 ] - [ 0.0001291300000000, -0.0001850700000000, 0.0002782800000000 ] - [ -0.0002120400000000, 0.0003336100000000, 0.0002683200000000 ] - [ 0.0001473400000000, 0.0001852500000000, 0.0001528200000000 ] - [ -0.0004329500000000, -0.0004311900000000, -0.0007209600000000 ] - [ -0.0000759800000000, 0.0003884500000000, -0.0003511600000000 ] - [ -0.0017292000000000, -0.0003001800000000, 0.0001113600000000 ] - [ -0.0002435700000000, -0.0002699500000000, -0.0002095600000000 ] - [ -0.0024076100000000, 0.0007085800000000, -0.0009522200000000 ] - [ -0.0000041600000000, -0.0004934400000000, 0.0001446600000000 ] - [ -0.0001437400000000, 0.0001958000000000, -0.0002138500000000 ] - [ -0.0000893100000000, 0.0002439200000000, 0.0000123700000000 ] - [ 0.0001182300000000, 0.0000972400000000, 0.0001070500000000 ] - [ 0.0001000200000000, 0.0002033400000000, 0.0000599100000000 ] - [ 0.0006821600000000, -0.0003714700000000, 0.0003023800000000 ] - [ 0.0000936600000000, -0.0001626600000000, -0.0000084200000000 ] - [ -0.0000394500000000, -0.0000234600000000, 0.0001057300000000 ] - [ -0.0003896300000000, -0.0019962600000000, 0.0002307600000000 ] - [ -0.0014880900000000, -0.0000866000000000, 0.0000363800000000 ] - [ -0.0000417800000000, 0.0002086300000000, -0.0001613000000000 ] - [ 0.0003904300000000, 0.0000291700000000, 0.0006163500000000 ] - [ 0.0000104900000000, 0.0001523200000000, 0.0001898300000000 ] - [ 0.0010135500000000, -0.0002863900000000, 0.0005334000000000 ] - [ 0.0001512100000000, -0.0001535700000000, 0.0002239000000000 ] - [ 0.0030073700000000, -0.0024835500000000, -0.0036625800000000 ] - [ -0.0000145700000000, -0.0000744500000000, -0.0001855800000000 ] - [ -0.0201236300000000, -0.0023549500000000, 0.0069788500000000 ] - [ 0.0004337100000000, 0.0000099900000000, -0.0003181200000000 ] - [ -0.0002898000000000, -0.0004082000000000, 0.0003603800000000 ] - [ -0.0002886200000000, 0.0000679300000000, 0.0004249400000000 ] - [ 0.0000960600000000, 0.0000523800000000, 0.0002705500000000 ] - [ -0.0003795800000000, 0.0001978300000000, 0.0002673800000000 ] - [ 0.0004758300000000, -0.0001525100000000, -0.0007912800000000 ] - [ 0.0004408000000000, 0.0001623600000000, -0.0003660100000000 ] - [ -0.0008284900000000, -0.0014275300000000, -0.0004992100000000 ] - [ -0.0001513400000000, 0.0004360100000000, 0.0000731300000000 ] - [ 0.0016321900000000, 0.0013828400000000, 0.0026833600000000 ] - [ -0.0001132600000000, 0.0000646000000000, 0.0000662800000000 ] - [ -0.0001968700000000, -0.0001120600000000, -0.0000248100000000 ] - [ -0.0000320300000000, 0.0000285200000000, 0.0000295200000000 ] - [ -0.0003691000000000, 0.0001175700000000, -0.0004659600000000 ] - [ 0.0000073000000000, 0.0000847000000000, -0.0000858100000000 ] - [ 0.0010221100000000, 0.0015593200000000, 0.0035160500000000 ] - [ 0.0007769600000000, -0.0001728400000000, 0.0003195500000000 ] - [ -0.0001742100000000, -0.0002437100000000, -0.0004565600000000 ] - [ -0.0007708600000000, -0.0000441100000000, -0.0003035400000000 ] - [ 0.0035767500000000, 0.0017254000000000, 0.0020881500000000 ] - [ -0.0008082600000000, 0.0002348400000000, -0.0001897900000000 ] - [ 0.0015409800000000, 0.0007643000000000, -0.0004654700000000 ] - [ 0.0010624100000000, -0.0000136400000000, 0.0000411700000000 ] - [ 0.0027931600000000, 0.0042534500000000, -0.0040319300000000 ] - [ 0.0000194900000000, -0.0003680200000000, -0.0002829700000000 ] - [ 0.0010172200000000, -0.0005869700000000, 0.0003456200000000 ] - [ 0.0000217200000000, -0.0002997700000000, 0.0002720300000000 ] - [ -0.0000058500000000, 0.0003297200000000, 0.0005172300000000 ] - [ -0.0000094600000000, 0.0004269700000000, 0.0002096600000000 ] - [ -0.0002629400000000, 0.0005230100000000, -0.0002946800000000 ] - [ -0.0001368500000000, 0.0003935300000000, -0.0004889700000000 ] - [ 0.0001247100000000, -0.0001653500000000, -0.0025541600000000 ] - [ -0.0005848800000000, 0.0004076900000000, 0.0003755700000000 ] - [ 0.0003592000000000, 0.0004233200000000, -0.0002663900000000 ] - [ 0.0005402500000000, 0.0002728300000000, -0.0004509400000000 ] - [ 0.0075048100000000, -0.0018482300000000, -0.0026540900000000 ] - [ 0.0006579700000000, -0.0002144300000000, -0.0004372500000000 ] - [ -0.0010418000000000, -0.0000265800000000, 0.0003510600000000 ] - [ -0.0014224000000000, 0.0000374500000000, 0.0010411400000000 ] - [ -0.0007120500000000, 0.0004661500000000, -0.0013407400000000 ] - [ -0.0001165900000000, 0.0008465500000000, 0.0003526900000000 ] - [ 0.0001932100000000, 0.0007553600000000, -0.0005398600000000 ] - [ 0.0005381500000000, 0.0012040600000000, -0.0007549600000000 ] - [ -0.0002522300000000, -0.0022829800000000, 0.0025593700000000 ] - [ 0.0001249800000000, -0.0006801600000000, -0.0003470500000000 ] - [ 0.0006654100000000, 0.0063003200000000, -0.0015015000000000 ] - [ -0.0001140400000000, -0.0008713400000000, 0.0003981800000000 ]- atom: 65 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0049883200000000, 0.0022277200000000, 0.0041431900000000 ] - [ -0.0000739900000000, 0.0004995900000000, 0.0000399500000000 ] - [ -0.0001138700000000, -0.0004126900000000, 0.0000347900000000 ] - [ 0.0000611600000000, 0.0006182100000000, 0.0000263500000000 ] - [ 0.0003713200000000, -0.0016526800000000, -0.0010447200000000 ] - [ 0.0001217800000000, -0.0001266800000000, 0.0000038500000000 ] - [ -0.0010441500000000, -0.0010792900000000, -0.0001631600000000 ] - [ -0.0000773300000000, -0.0003146400000000, -0.0000569300000000 ] - [ 0.0004732600000000, 0.0003190900000000, -0.0009627500000000 ] - [ -0.0001820300000000, -0.0002888400000000, -0.0000002200000000 ] - [ 0.0001602500000000, -0.0003360800000000, -0.0002043400000000 ] - [ 0.0002447700000000, -0.0005065000000000, -0.0002429700000000 ] - [ -0.0004186200000000, 0.0003264800000000, 0.0003679900000000 ] - [ 0.0002430400000000, 0.0005048900000000, -0.0000121400000000 ] - [ -0.0013682900000000, 0.0010685200000000, 0.0011511200000000 ] - [ -0.0003669800000000, 0.0002868600000000, 0.0002150900000000 ] - [ -0.0010159100000000, 0.0004583200000000, -0.0020167000000000 ] - [ -0.0001874100000000, -0.0000845700000000, -0.0003570900000000 ] - [ 0.0011573900000000, -0.0001239900000000, 0.0005063900000000 ] - [ 0.0002505200000000, -0.0001784500000000, 0.0003647700000000 ] - [ 0.0003450700000000, 0.0004862100000000, 0.0009362000000000 ] - [ 0.0001678700000000, 0.0002341000000000, 0.0003432500000000 ] - [ -0.0002548500000000, 0.0000670500000000, -0.0005637400000000 ] - [ -0.0014047200000000, 0.0007319700000000, -0.0018741800000000 ] - [ -0.0022002700000000, 0.0000216700000000, 0.0003978200000000 ] - [ -0.0004006100000000, 0.0005183100000000, 0.0001395200000000 ] - [ 0.0006467700000000, 0.0006975800000000, 0.0003093400000000 ] - [ 0.0003526200000000, 0.0003800600000000, -0.0001426800000000 ] - [ 0.0034678500000000, 0.0007373200000000, -0.0005750300000000 ] - [ 0.0003721100000000, -0.0002613800000000, -0.0001674400000000 ] - [ -0.0004473900000000, 0.0012938700000000, -0.0004475300000000 ] - [ -0.0006734300000000, -0.0006717000000000, -0.0002982600000000 ] - [ 0.0002505600000000, 0.0020118300000000, -0.0001544500000000 ] - [ 0.0001185100000000, 0.0001607400000000, 0.0000095800000000 ] - [ 0.0008611300000000, 0.0001027500000000, -0.0000448500000000 ] - [ 0.0000618400000000, 0.0003598100000000, 0.0000923000000000 ] - [ -0.0002145500000000, -0.0004199300000000, 0.0014389800000000 ] - [ -0.0001228900000000, -0.0001765800000000, 0.0000644400000000 ] - [ 0.0002283700000000, -0.0001909200000000, -0.0004107400000000 ] - [ 0.0001871300000000, -0.0003256900000000, -0.0003387300000000 ] - [ 0.0004895800000000, 0.0002566800000000, -0.0000100500000000 ] - [ 0.0001299400000000, 0.0004041200000000, 0.0000938700000000 ] - [ 0.0001563100000000, 0.0010197100000000, 0.0004746400000000 ] - [ -0.0002009700000000, 0.0002013400000000, 0.0001036300000000 ] - [ 0.0014516200000000, -0.0002900800000000, -0.0003556200000000 ] - [ -0.0000340000000000, -0.0003201100000000, -0.0000371200000000 ] - [ 0.0027236500000000, -0.0013401900000000, 0.0012040900000000 ] - [ 0.0002812300000000, -0.0000969400000000, 0.0001018200000000 ] - [ -0.0000100300000000, 0.0001985900000000, 0.0002799900000000 ] - [ -0.0000639100000000, 0.0001521100000000, 0.0000544500000000 ] - [ 0.0000347300000000, 0.0002989500000000, -0.0001733800000000 ] - [ 0.0000535600000000, 0.0001930100000000, -0.0001268200000000 ] - [ -0.0005276100000000, -0.0000251900000000, -0.0003732600000000 ] - [ 0.0000597600000000, -0.0002330100000000, -0.0000585400000000 ] - [ -0.0001137600000000, -0.0003730300000000, -0.0000380100000000 ] - [ 0.0002335900000000, 0.0015790500000000, -0.0001612600000000 ] - [ 0.0014628900000000, 0.0004182900000000, -0.0003671400000000 ] - [ 0.0000290600000000, 0.0001213700000000, -0.0001497700000000 ] - [ -0.0003777900000000, 0.0003007600000000, -0.0003042500000000 ] - [ 0.0000025300000000, 0.0001777900000000, 0.0001214200000000 ] - [ -0.0010087600000000, -0.0000384500000000, -0.0002241800000000 ] - [ -0.0001382900000000, -0.0001765200000000, 0.0000870300000000 ] - [ -0.0029819000000000, 0.0021175800000000, 0.0032839500000000 ] - [ 0.0000018300000000, -0.0002552400000000, -0.0001255300000000 ] - [ 0.0213287200000000, 0.0021704900000000, -0.0078767000000000 ] - [ 0.0005763700000000, -0.0001537200000000, -0.0003586900000000 ] - [ -0.0007189800000000, 0.0002647200000000, 0.0003168300000000 ] - [ -0.0007185200000000, -0.0002106600000000, 0.0002523600000000 ] - [ -0.0011052500000000, 0.0000919300000000, 0.0004097400000000 ] - [ -0.0006303000000000, -0.0000537300000000, 0.0004096300000000 ] - [ 0.0005337300000000, 0.0002974300000000, 0.0001125900000000 ] - [ 0.0005695400000000, -0.0000184200000000, -0.0003111500000000 ] - [ 0.0009982600000000, 0.0014398400000000, 0.0004010400000000 ] - [ 0.0003064100000000, -0.0004134700000000, -0.0001670900000000 ] - [ -0.0018028100000000, -0.0013798400000000, -0.0026228700000000 ] - [ -0.0000423300000000, -0.0000419100000000, 0.0000266000000000 ] - [ 0.0000576100000000, 0.0000862600000000, 0.0001233700000000 ] - [ -0.0001233000000000, -0.0000503700000000, 0.0000632100000000 ] - [ 0.0005256000000000, -0.0001409400000000, 0.0003722100000000 ] - [ 0.0001482500000000, -0.0001057300000000, -0.0000057800000000 ] - [ 0.0006916700000000, -0.0018863800000000, -0.0030319200000000 ] - [ 0.0009385700000000, -0.0001677600000000, 0.0001434200000000 ] - [ -0.0015423200000000, -0.0000965900000000, -0.0000097800000000 ] - [ -0.0009447900000000, -0.0002958600000000, -0.0001593700000000 ] - [ -0.0052251600000000, -0.0013599000000000, -0.0025079000000000 ] - [ -0.0009077500000000, 0.0001065400000000, -0.0002725100000000 ] - [ 0.0001781400000000, -0.0004209700000000, 0.0009242600000000 ] - [ 0.0006540500000000, 0.0003538400000000, 0.0004204600000000 ] - [ -0.0026732500000000, -0.0048859900000000, 0.0035309900000000 ] - [ 0.0000972800000000, -0.0002987400000000, -0.0001732500000000 ] - [ -0.0011345900000000, -0.0000849700000000, 0.0001081200000000 ] - [ -0.0001383200000000, -0.0003668400000000, 0.0001834400000000 ] - [ -0.0001136700000000, 0.0003367600000000, -0.0000625300000000 ] - [ -0.0001073900000000, 0.0002407700000000, 0.0002455200000000 ] - [ 0.0003778400000000, 0.0001443000000000, -0.0001623900000000 ] - [ 0.0002546200000000, 0.0002754700000000, 0.0000348200000000 ] - [ -0.0012997000000000, 0.0007231700000000, 0.0033963100000000 ] - [ -0.0005924500000000, 0.0001547000000000, 0.0004475400000000 ] - [ 0.0008212500000000, 0.0001378900000000, -0.0005542100000000 ] - [ 0.0006375300000000, 0.0002897400000000, -0.0003723700000000 ] - [ -0.0064275400000000, 0.0013127700000000, 0.0018739100000000 ] - [ 0.0005198800000000, -0.0003474900000000, -0.0003858000000000 ] - [ -0.0001373300000000, -0.0005334100000000, 0.0004725100000000 ] - [ 0.0002402200000000, -0.0005922400000000, -0.0002089500000000 ] - [ 0.0004808700000000, 0.0010642300000000, 0.0021160200000000 ] - [ -0.0001127800000000, 0.0006823900000000, 0.0004105100000000 ] - [ 0.0000383500000000, 0.0007711000000000, -0.0002228900000000 ] - [ -0.0003076600000000, 0.0003245900000000, -0.0000076400000000 ] - [ 0.0004855600000000, 0.0007678300000000, -0.0033480600000000 ] - [ 0.0001055600000000, -0.0008468700000000, -0.0004158300000000 ] - [ -0.0008864700000000, -0.0078779200000000, 0.0022709500000000 ] - [ -0.0001141800000000, -0.0006589800000000, 0.0003651100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007267100000000, 0.0011376700000000, -0.0003813200000000 ] - [ -0.0000346800000000, -0.0002996600000000, -0.0000039100000000 ] - [ 0.0000413300000000, -0.0001354700000000, 0.0001230900000000 ] - [ -0.0003427700000000, -0.0001939900000000, -0.0005665000000000 ] - [ 0.0003758300000000, -0.0001285500000000, -0.0004067600000000 ] - [ -0.0000527300000000, -0.0010991600000000, -0.0000084800000000 ] - [ -0.0000596700000000, 0.0008676100000000, -0.0009213800000000 ] - [ -0.0000251600000000, -0.0010710100000000, 0.0001456500000000 ] - [ -0.0002725800000000, -0.0000104300000000, 0.0002716400000000 ] - [ -0.0002364300000000, -0.0007579200000000, 0.0001194800000000 ] - [ 0.0002492000000000, -0.0005238300000000, -0.0001105700000000 ] - [ 0.0001630000000000, -0.0002845600000000, 0.0000908100000000 ] - [ 0.0007006700000000, 0.0018958900000000, -0.0000548900000000 ] - [ 0.0000842100000000, -0.0000921700000000, -0.0000776400000000 ] - [ -0.0013470300000000, -0.0011003000000000, -0.0005223400000000 ] - [ -0.0001133100000000, -0.0003079400000000, 0.0001913200000000 ] - [ -0.0001134700000000, 0.0011369000000000, 0.0001248000000000 ] - [ -0.0002423700000000, -0.0006563400000000, -0.0004445700000000 ] - [ -0.0007377300000000, -0.0002476400000000, 0.0004052200000000 ] - [ 0.0002539400000000, -0.0005291400000000, 0.0003362100000000 ] - [ 0.0005178800000000, 0.0014359000000000, 0.0007232800000000 ] - [ 0.0000122600000000, -0.0002946100000000, 0.0002207000000000 ] - [ -0.0001217500000000, -0.0005643100000000, -0.0006355200000000 ] - [ 0.0008140400000000, -0.0008685200000000, 0.0012886400000000 ] - [ 0.0003788500000000, 0.0011824400000000, -0.0006685600000000 ] - [ -0.0003519300000000, -0.0002312700000000, 0.0003686800000000 ] - [ 0.0002271500000000, 0.0005467500000000, -0.0004370400000000 ] - [ 0.0003559000000000, -0.0001010500000000, -0.0002073400000000 ] - [ 0.0010291800000000, 0.0006367700000000, -0.0002722000000000 ] - [ 0.0001823400000000, -0.0008359800000000, -0.0001490800000000 ] - [ -0.0002530100000000, -0.0017347500000000, 0.0006672700000000 ] - [ 0.0003703600000000, -0.0009483800000000, -0.0001415200000000 ] - [ -0.0001807300000000, 0.0013019100000000, 0.0005454700000000 ] - [ 0.0002185600000000, -0.0002871000000000, -0.0000076700000000 ] - [ -0.0001345300000000, 0.0003428000000000, -0.0000006900000000 ] - [ -0.0001731400000000, -0.0001641300000000, 0.0000508400000000 ] - [ -0.0000677700000000, 0.0005672800000000, 0.0002940500000000 ] - [ -0.0001734800000000, -0.0006371200000000, 0.0000004300000000 ] - [ 0.0001755500000000, -0.0004834900000000, 0.0001321000000000 ] - [ 0.0001867800000000, -0.0002523300000000, 0.0000847600000000 ] - [ 0.0001697400000000, 0.0012371600000000, 0.0008940700000000 ] - [ 0.0001672900000000, -0.0002051000000000, 0.0001213100000000 ] - [ -0.0004186000000000, -0.0004007200000000, -0.0004278600000000 ] - [ 0.0000202600000000, -0.0000288200000000, -0.0000162200000000 ] - [ -0.0012672100000000, -0.0002497400000000, 0.0003408500000000 ] - [ -0.0001282400000000, -0.0007433100000000, -0.0002029200000000 ] - [ 0.0023625700000000, 0.0006294600000000, 0.0005667200000000 ] - [ 0.0000034700000000, -0.0009357700000000, 0.0001396600000000 ] - [ 0.0001463200000000, -0.0005051300000000, -0.0001092000000000 ] - [ -0.0001236900000000, 0.0004758200000000, 0.0000286200000000 ] - [ 0.0000365300000000, 0.0001591500000000, -0.0001350600000000 ] - [ 0.0000914200000000, 0.0003677700000000, 0.0000183500000000 ] - [ 0.0001492700000000, -0.0008178300000000, -0.0001552600000000 ] - [ 0.0000407200000000, 0.0000938800000000, -0.0000128400000000 ] - [ 0.0000463500000000, 0.0001928400000000, 0.0000589200000000 ] - [ -0.0004615500000000, 0.0014179900000000, -0.0001346800000000 ] - [ -0.0008434300000000, -0.0006172700000000, -0.0026270100000000 ] - [ 0.0000397900000000, 0.0004586300000000, -0.0001019200000000 ] - [ 0.0000344200000000, 0.0001770900000000, 0.0003221600000000 ] - [ -0.0000684000000000, 0.0003205000000000, 0.0001471700000000 ] - [ 0.0003925100000000, -0.0002533300000000, 0.0003236100000000 ] - [ 0.0000000300000000, 0.0000803300000000, 0.0001990700000000 ] - [ -0.0015166200000000, -0.0004187700000000, 0.0017054300000000 ] - [ -0.0000258500000000, 0.0001492200000000, -0.0002239200000000 ] - [ -0.0017612200000000, -0.0144304200000000, 0.0016326900000000 ] - [ 0.0005866300000000, 0.0003685300000000, -0.0004159500000000 ] - [ -0.0006446700000000, 0.0002102400000000, 0.0002965300000000 ] - [ -0.0001690500000000, 0.0002123100000000, 0.0005484600000000 ] - [ -0.0005233700000000, -0.0003180000000000, 0.0003695300000000 ] - [ -0.0003801100000000, 0.0004201700000000, 0.0002467000000000 ] - [ 0.0007293100000000, -0.0002570600000000, -0.0005002600000000 ] - [ 0.0004150700000000, 0.0003985500000000, -0.0002822000000000 ] - [ -0.0016206500000000, 0.0040592900000000, 0.0016610800000000 ] - [ 0.0001419000000000, 0.0007560200000000, -0.0001387500000000 ] - [ 0.0012629700000000, -0.0003907500000000, 0.0016544200000000 ] - [ -0.0001339400000000, 0.0003901800000000, 0.0000120700000000 ] - [ -0.0001370300000000, -0.0007116000000000, 0.0000418800000000 ] - [ -0.0000788700000000, 0.0003290800000000, 0.0000609600000000 ] - [ 0.0000448100000000, 0.0000079400000000, -0.0003943900000000 ] - [ 0.0000403900000000, 0.0003453100000000, 0.0001199100000000 ] - [ 0.0015990500000000, 0.0008581600000000, 0.0033008500000000 ] - [ 0.0007870000000000, 0.0001931200000000, 0.0002390900000000 ] - [ -0.0008848400000000, -0.0002032500000000, -0.0002862000000000 ] - [ -0.0008038900000000, 0.0001947600000000, -0.0003717600000000 ] - [ -0.0017757100000000, -0.0018937300000000, -0.0009928800000000 ] - [ -0.0008572100000000, 0.0005710200000000, -0.0001535400000000 ] - [ 0.0013322500000000, 0.0008339000000000, -0.0003710500000000 ] - [ 0.0007507800000000, 0.0003077500000000, 0.0002852500000000 ] - [ 0.0033473100000000, 0.0033482800000000, -0.0041617600000000 ] - [ 0.0001241900000000, 0.0001477800000000, -0.0001812500000000 ] - [ -0.0001817700000000, -0.0007888100000000, 0.0002376200000000 ] - [ -0.0001124900000000, 0.0000330200000000, 0.0002899900000000 ] - [ -0.0003298700000000, -0.0003494300000000, 0.0002572300000000 ] - [ 0.0000548100000000, 0.0007082400000000, 0.0001959700000000 ] - [ 0.0000041700000000, 0.0005321000000000, 0.0001177700000000 ] - [ -0.0001284400000000, 0.0005729100000000, -0.0005256600000000 ] - [ -0.0003641800000000, 0.0000010100000000, 0.0006534900000000 ] - [ -0.0004920100000000, 0.0006978200000000, 0.0003149900000000 ] - [ 0.0006246500000000, 0.0001313300000000, -0.0000816800000000 ] - [ 0.0005248400000000, 0.0005753700000000, -0.0004339000000000 ] - [ -0.0011828100000000, -0.0019578500000000, 0.0011606200000000 ] - [ 0.0006899200000000, 0.0001538100000000, -0.0004708000000000 ] - [ -0.0007696200000000, 0.0002101500000000, 0.0002221900000000 ] - [ -0.0012309800000000, 0.0010755200000000, 0.0026421600000000 ] - [ -0.0004364600000000, -0.0004748400000000, -0.0008199600000000 ] - [ -0.0000569900000000, 0.0011976200000000, 0.0003779400000000 ] - [ -0.0000759800000000, 0.0010717700000000, -0.0002101200000000 ] - [ 0.0005387200000000, 0.0013045900000000, -0.0007604700000000 ] - [ -0.0003651400000000, -0.0003134700000000, -0.0028682800000000 ] - [ 0.0002298000000000, -0.0002523000000000, -0.0002824200000000 ] - [ 0.0025294100000000, 0.0033525800000000, -0.0035149500000000 ] - [ -0.0002838500000000, -0.0000235400000000, 0.0003933100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006398500000000, -0.0002556000000000, 0.0004444400000000 ] - [ -0.0000443800000000, 0.0012021100000000, 0.0000566700000000 ] - [ 0.0000376100000000, 0.0010416600000000, -0.0001766900000000 ] - [ 0.0004267400000000, 0.0010992200000000, 0.0005189800000000 ] - [ -0.0002966900000000, -0.0007635200000000, 0.0003570800000000 ] - [ 0.0001319300000000, 0.0001971000000000, -0.0000449200000000 ] - [ -0.0000195200000000, -0.0017844400000000, 0.0009758300000000 ] - [ -0.0000535600000000, 0.0001697700000000, -0.0000923700000000 ] - [ -0.0001125500000000, -0.0007276800000000, -0.0001439600000000 ] - [ -0.0001446200000000, 0.0000257000000000, 0.0000057400000000 ] - [ 0.0001314100000000, -0.0002075200000000, -0.0000147000000000 ] - [ 0.0002180400000000, -0.0004502300000000, -0.0002167400000000 ] - [ -0.0003816200000000, -0.0011226500000000, -0.0000980500000000 ] - [ 0.0002971500000000, 0.0008259400000000, -0.0000471500000000 ] - [ 0.0009585200000000, 0.0017719000000000, 0.0006234300000000 ] - [ -0.0002681400000000, 0.0010399900000000, -0.0000638300000000 ] - [ -0.0001227700000000, -0.0014154300000000, -0.0008188300000000 ] - [ -0.0000086100000000, 0.0003646100000000, -0.0002088600000000 ] - [ 0.0009950200000000, -0.0000465500000000, 0.0002494500000000 ] - [ -0.0000021500000000, 0.0002384300000000, 0.0003176200000000 ] - [ -0.0002686200000000, -0.0011416000000000, -0.0000714300000000 ] - [ 0.0002393200000000, 0.0005878200000000, 0.0004335500000000 ] - [ -0.0001310100000000, 0.0008552300000000, -0.0000224100000000 ] - [ -0.0010734500000000, 0.0011643000000000, -0.0019483500000000 ] - [ -0.0009651100000000, -0.0005003000000000, 0.0010455900000000 ] - [ -0.0002410700000000, 0.0009021200000000, 0.0000009500000000 ] - [ 0.0003676500000000, 0.0001200100000000, 0.0000638400000000 ] - [ 0.0002365400000000, 0.0007726600000000, -0.0001635500000000 ] - [ -0.0004413400000000, -0.0013154800000000, -0.0000997600000000 ] - [ 0.0004109400000000, 0.0001670000000000, -0.0002217100000000 ] - [ -0.0003397000000000, 0.0010612500000000, -0.0002949700000000 ] - [ -0.0009712500000000, 0.0002792700000000, 0.0005136400000000 ] - [ 0.0006118100000000, -0.0006884300000000, -0.0005609200000000 ] - [ 0.0000961700000000, 0.0007997800000000, -0.0000541600000000 ] - [ -0.0001803700000000, 0.0001647900000000, 0.0000626600000000 ] - [ -0.0001431600000000, 0.0006753900000000, 0.0000101900000000 ] - [ -0.0002460500000000, -0.0010757100000000, -0.0002294500000000 ] - [ -0.0001421000000000, 0.0001273000000000, 0.0000609700000000 ] - [ 0.0001401400000000, -0.0000259800000000, -0.0001927800000000 ] - [ 0.0001279800000000, -0.0002607400000000, -0.0001461000000000 ] - [ 0.0001078300000000, -0.0006481300000000, -0.0006428600000000 ] - [ 0.0001095800000000, 0.0007959800000000, 0.0001248800000000 ] - [ 0.0001405200000000, 0.0009906500000000, 0.0001822600000000 ] - [ -0.0002986400000000, 0.0006177900000000, -0.0002316700000000 ] - [ 0.0009835300000000, -0.0003387300000000, -0.0005880400000000 ] - [ -0.0001486500000000, 0.0001536800000000, -0.0000427300000000 ] - [ -0.0020607600000000, -0.0012427700000000, -0.0003125100000000 ] - [ 0.0002735000000000, 0.0003471700000000, 0.0001066900000000 ] - [ -0.0003009200000000, 0.0009003200000000, 0.0001740300000000 ] - [ -0.0000295000000000, -0.0000803200000000, 0.0000383300000000 ] - [ 0.0001163300000000, 0.0002385000000000, 0.0000683700000000 ] - [ 0.0000616900000000, 0.0000273900000000, -0.0000853700000000 ] - [ 0.0000059500000000, 0.0004202700000000, 0.0000903900000000 ] - [ 0.0001124200000000, -0.0004904300000000, -0.0000543300000000 ] - [ -0.0001994400000000, -0.0005905900000000, 0.0000085300000000 ] - [ 0.0003124200000000, -0.0018402700000000, 0.0002048200000000 ] - [ 0.0008275600000000, 0.0009588200000000, 0.0023070000000000 ] - [ -0.0000521600000000, -0.0001290700000000, -0.0002087500000000 ] - [ -0.0000208300000000, 0.0001517800000000, -0.0000095900000000 ] - [ 0.0000810600000000, 0.0000101700000000, 0.0001637900000000 ] - [ -0.0003807200000000, -0.0000805500000000, -0.0000101900000000 ] - [ 0.0000128800000000, -0.0004103300000000, 0.0001119300000000 ] - [ 0.0015082100000000, 0.0001007600000000, -0.0020249800000000 ] - [ 0.0000132800000000, -0.0004797700000000, -0.0000869300000000 ] - [ 0.0027441900000000, 0.0141531000000000, -0.0023085400000000 ] - [ 0.0004238300000000, -0.0005128100000000, -0.0002611900000000 ] - [ -0.0003656200000000, -0.0003572000000000, 0.0003798900000000 ] - [ -0.0008443600000000, -0.0003551400000000, 0.0001274900000000 ] - [ -0.0004841500000000, 0.0004598900000000, 0.0003068000000000 ] - [ -0.0006307000000000, -0.0002766200000000, 0.0004304000000000 ] - [ 0.0002812400000000, 0.0004045900000000, -0.0001762700000000 ] - [ 0.0005952100000000, -0.0002557200000000, -0.0003949200000000 ] - [ 0.0017425700000000, -0.0039535900000000, -0.0017203400000000 ] - [ 0.0000134300000000, -0.0007356800000000, 0.0000476400000000 ] - [ -0.0014230400000000, 0.0004257800000000, -0.0015630600000000 ] - [ -0.0000219600000000, -0.0003688900000000, 0.0000805300000000 ] - [ -0.0000250600000000, 0.0006934600000000, 0.0000531900000000 ] - [ -0.0000776200000000, -0.0003520100000000, 0.0000320200000000 ] - [ 0.0001104400000000, -0.0000330800000000, 0.0002998200000000 ] - [ 0.0001157400000000, -0.0003686100000000, -0.0002150300000000 ] - [ 0.0001265800000000, -0.0011900100000000, -0.0028098700000000 ] - [ 0.0009293500000000, -0.0005345800000000, 0.0002242100000000 ] - [ -0.0008311100000000, -0.0001349600000000, -0.0001776600000000 ] - [ -0.0009118000000000, -0.0005360700000000, -0.0000904500000000 ] - [ 0.0000546500000000, 0.0022443800000000, 0.0005312100000000 ] - [ -0.0008589600000000, -0.0002305000000000, -0.0003090800000000 ] - [ 0.0003856600000000, -0.0004908800000000, 0.0008314500000000 ] - [ 0.0009661500000000, 0.0000350000000000, 0.0001762600000000 ] - [ -0.0031925900000000, -0.0039832800000000, 0.0036543200000000 ] - [ -0.0000067100000000, -0.0008164900000000, -0.0002744500000000 ] - [ 0.0000614600000000, 0.0001259800000000, 0.0002170500000000 ] - [ -0.0000042900000000, -0.0007016500000000, 0.0001651200000000 ] - [ 0.0002118500000000, 0.0010164500000000, 0.0001971300000000 ] - [ -0.0001722600000000, -0.0000412000000000, 0.0002593500000000 ] - [ 0.0001140600000000, 0.0001320100000000, -0.0005708300000000 ] - [ 0.0002471300000000, 0.0000953500000000, 0.0000715400000000 ] - [ -0.0008087000000000, 0.0005479000000000, 0.0001472400000000 ] - [ -0.0006859200000000, -0.0001364700000000, 0.0005084100000000 ] - [ 0.0005500300000000, 0.0004343900000000, -0.0007433900000000 ] - [ 0.0006526900000000, -0.0000147800000000, -0.0003892700000000 ] - [ 0.0023744300000000, 0.0013820100000000, -0.0019808500000000 ] - [ 0.0004869800000000, -0.0007162600000000, -0.0003523300000000 ] - [ -0.0004079200000000, -0.0007724300000000, 0.0005992500000000 ] - [ 0.0000643800000000, -0.0016631800000000, -0.0018592900000000 ] - [ 0.0002088200000000, 0.0020055700000000, 0.0015859100000000 ] - [ -0.0001728200000000, 0.0003294600000000, 0.0003851200000000 ] - [ 0.0003041900000000, 0.0004549400000000, -0.0005525500000000 ] - [ -0.0003109600000000, 0.0002220100000000, -0.0000008700000000 ] - [ 0.0005913800000000, -0.0012159100000000, 0.0020952700000000 ] - [ -0.0000008600000000, -0.0012778700000000, -0.0004813200000000 ] - [ -0.0028165700000000, -0.0048884200000000, 0.0043633200000000 ] - [ 0.0000534100000000, -0.0015017600000000, 0.0003696200000000 ]- atom: 65 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0053439300000000, 0.0021730800000000, 0.0069203900000000 ] - [ -0.0000616800000000, 0.0005290700000000, 0.0000487400000000 ] - [ -0.0001173100000000, 0.0009909900000000, -0.0000821500000000 ] - [ -0.0000926700000000, 0.0003040200000000, -0.0000519500000000 ] - [ 0.0005630300000000, -0.0012810200000000, -0.0001796300000000 ] - [ 0.0001306100000000, -0.0001031000000000, -0.0000004900000000 ] - [ -0.0003004200000000, -0.0018728100000000, -0.0006984700000000 ] - [ -0.0000303700000000, -0.0002510700000000, -0.0000849000000000 ] - [ 0.0010565600000000, 0.0009022900000000, -0.0019261100000000 ] - [ -0.0001746600000000, -0.0003021200000000, -0.0000389800000000 ] - [ 0.0001103700000000, -0.0002684700000000, -0.0003514900000000 ] - [ 0.0003250000000000, -0.0005746200000000, -0.0005231100000000 ] - [ -0.0009724400000000, 0.0005581400000000, 0.0010319100000000 ] - [ 0.0002653300000000, 0.0004894600000000, 0.0000687500000000 ] - [ -0.0010982400000000, 0.0001132100000000, 0.0025839200000000 ] - [ -0.0002989300000000, 0.0003369800000000, 0.0003323500000000 ] - [ 0.0008177200000000, 0.0012566100000000, -0.0016366400000000 ] - [ -0.0001386500000000, -0.0000912600000000, -0.0003124900000000 ] - [ 0.0011304900000000, -0.0001194900000000, 0.0004566300000000 ] - [ 0.0001914100000000, -0.0001088000000000, 0.0004659400000000 ] - [ -0.0004050600000000, -0.0001099900000000, -0.0002225200000000 ] - [ 0.0001470500000000, 0.0002333100000000, 0.0002924400000000 ] - [ -0.0001408000000000, 0.0000118600000000, -0.0004079200000000 ] - [ -0.0010174500000000, 0.0010497000000000, -0.0019786300000000 ] - [ -0.0012493300000000, -0.0006476900000000, 0.0001025300000000 ] - [ -0.0003426000000000, 0.0005735400000000, 0.0001335600000000 ] - [ 0.0001136100000000, 0.0001970700000000, -0.0005510400000000 ] - [ 0.0002757400000000, 0.0004621000000000, -0.0002457700000000 ] - [ 0.0013327600000000, 0.0003612400000000, -0.0000782500000000 ] - [ 0.0003526200000000, -0.0002112200000000, -0.0001422200000000 ] - [ -0.0003687000000000, 0.0011551400000000, -0.0002827800000000 ] - [ -0.0002759000000000, -0.0008013300000000, 0.0001665100000000 ] - [ 0.0007125500000000, 0.0010234900000000, 0.0015985900000000 ] - [ 0.0001067800000000, 0.0003142800000000, 0.0000589100000000 ] - [ 0.0004605600000000, -0.0000954000000000, 0.0001220600000000 ] - [ -0.0000701200000000, 0.0004618000000000, 0.0000680700000000 ] - [ -0.0008832200000000, -0.0004558400000000, 0.0000753200000000 ] - [ -0.0001484800000000, -0.0001608000000000, 0.0000310900000000 ] - [ 0.0002086400000000, -0.0002143600000000, -0.0005851100000000 ] - [ 0.0002248300000000, -0.0003521200000000, -0.0004832200000000 ] - [ 0.0001954700000000, 0.0001270500000000, -0.0019902400000000 ] - [ 0.0001267100000000, 0.0004231000000000, 0.0000613500000000 ] - [ -0.0001340800000000, 0.0001500000000000, -0.0002170700000000 ] - [ -0.0002372800000000, 0.0003640600000000, -0.0000979200000000 ] - [ 0.0010732800000000, -0.0001083000000000, -0.0003637800000000 ] - [ -0.0001071800000000, -0.0003349900000000, 0.0000100000000000 ] - [ 0.0005915700000000, -0.0009275100000000, 0.0016523100000000 ] - [ 0.0001948000000000, -0.0001329500000000, 0.0001621100000000 ] - [ -0.0002996800000000, 0.0006037400000000, 0.0007463600000000 ] - [ -0.0000689300000000, 0.0001510300000000, 0.0000735300000000 ] - [ 0.0001556100000000, 0.0001925400000000, -0.0000186600000000 ] - [ 0.0000624900000000, 0.0001965700000000, 0.0000024400000000 ] - [ -0.0001904000000000, -0.0000680500000000, -0.0003582200000000 ] - [ 0.0000746300000000, -0.0002379200000000, -0.0000713500000000 ] - [ -0.0000731700000000, -0.0003384100000000, -0.0001280300000000 ] - [ 0.0002059700000000, -0.0000588200000000, -0.0002822400000000 ] - [ 0.0026115500000000, -0.0008239000000000, 0.0057377800000000 ] - [ 0.0000217500000000, 0.0001265900000000, -0.0001306100000000 ] - [ 0.0000897400000000, 0.0001452700000000, 0.0003577800000000 ] - [ 0.0000747500000000, 0.0001720000000000, 0.0002196100000000 ] - [ -0.0005887100000000, -0.0000149700000000, -0.0002457000000000 ] - [ -0.0000728500000000, -0.0002168900000000, 0.0000433600000000 ] - [ -0.0037481300000000, 0.0024303500000000, 0.0022031500000000 ] - [ -0.0000068800000000, -0.0002675800000000, -0.0001684800000000 ] - [ 0.0142827200000000, 0.0025850500000000, -0.0219146100000000 ] - [ 0.0005471700000000, -0.0001715500000000, -0.0003719900000000 ] - [ -0.0004935300000000, -0.0001631500000000, 0.0001692500000000 ] - [ -0.0005541400000000, -0.0000773600000000, 0.0001480000000000 ] - [ -0.0007666000000000, 0.0001083400000000, 0.0005966300000000 ] - [ -0.0006125600000000, -0.0000555100000000, 0.0004458800000000 ] - [ 0.0000903300000000, 0.0002958800000000, 0.0003167200000000 ] - [ 0.0005004400000000, -0.0000104400000000, -0.0002763800000000 ] - [ 0.0001797700000000, 0.0015249300000000, -0.0003571800000000 ] - [ 0.0001827500000000, -0.0004385900000000, -0.0002597800000000 ] - [ 0.0013588600000000, 0.0008706100000000, 0.0007112300000000 ] - [ -0.0000423200000000, -0.0000870400000000, 0.0000329400000000 ] - [ 0.0005870300000000, 0.0002595300000000, -0.0000072200000000 ] - [ -0.0001100300000000, -0.0000629500000000, 0.0000646900000000 ] - [ 0.0001403200000000, -0.0002463900000000, 0.0005643000000000 ] - [ 0.0000536300000000, -0.0000013400000000, 0.0000716000000000 ] - [ 0.0012237100000000, 0.0002025600000000, -0.0000824100000000 ] - [ 0.0009255500000000, -0.0002323200000000, 0.0001916700000000 ] - [ -0.0007561200000000, -0.0004650600000000, 0.0008189700000000 ] - [ -0.0009059600000000, -0.0003212700000000, -0.0001004300000000 ] - [ -0.0010193900000000, 0.0000450400000000, -0.0011459500000000 ] - [ -0.0008677700000000, 0.0000774900000000, -0.0002910600000000 ] - [ 0.0003423700000000, -0.0003755000000000, 0.0008608900000000 ] - [ 0.0006772500000000, 0.0003998400000000, 0.0003280200000000 ] - [ -0.0038456700000000, -0.0051245100000000, -0.0005733000000000 ] - [ 0.0000602000000000, -0.0002912000000000, -0.0003169400000000 ] - [ -0.0005820200000000, -0.0002043500000000, -0.0004655100000000 ] - [ -0.0000636700000000, -0.0004378200000000, 0.0001233500000000 ] - [ 0.0003945500000000, 0.0005581300000000, 0.0007666200000000 ] - [ -0.0000977200000000, 0.0002176500000000, 0.0002928500000000 ] - [ 0.0001393800000000, 0.0005695800000000, 0.0000165600000000 ] - [ 0.0002329100000000, 0.0001620600000000, 0.0002324900000000 ] - [ -0.0025744800000000, 0.0013606600000000, 0.0043551300000000 ] - [ -0.0006148000000000, 0.0001398400000000, 0.0004678400000000 ] - [ 0.0005878600000000, 0.0005778100000000, -0.0001648700000000 ] - [ 0.0006622900000000, 0.0001487200000000, -0.0003696300000000 ] - [ -0.0030144200000000, 0.0014186300000000, -0.0016712400000000 ] - [ 0.0005152800000000, -0.0003808600000000, -0.0004210900000000 ] - [ -0.0003015100000000, -0.0006772100000000, 0.0003768900000000 ] - [ -0.0003790500000000, 0.0001377700000000, 0.0002633700000000 ] - [ 0.0002957800000000, 0.0015871700000000, 0.0045042600000000 ] - [ -0.0001293900000000, 0.0006776700000000, 0.0004230800000000 ] - [ 0.0000002400000000, 0.0008954900000000, -0.0002705200000000 ] - [ -0.0003453500000000, 0.0003176600000000, 0.0001282900000000 ] - [ 0.0007619800000000, -0.0014258700000000, 0.0005124700000000 ] - [ 0.0001303700000000, -0.0007724500000000, -0.0004239300000000 ] - [ -0.0016220300000000, -0.0094366300000000, 0.0004673600000000 ] - [ -0.0001199200000000, -0.0007066100000000, 0.0003413400000000 ]- atom: 65 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0047596900000000, -0.0013495900000000, -0.0064081400000000 ] - [ -0.0000171700000000, 0.0003742000000000, 0.0000045200000000 ] - [ 0.0001979900000000, -0.0000864600000000, 0.0000282200000000 ] - [ 0.0001701000000000, 0.0005979800000000, -0.0000032900000000 ] - [ -0.0004835100000000, 0.0003770000000000, 0.0001331200000000 ] - [ -0.0000518000000000, -0.0007992100000000, -0.0000524500000000 ] - [ 0.0002231200000000, 0.0009832000000000, 0.0007438900000000 ] - [ -0.0000485500000000, -0.0006521000000000, 0.0001381100000000 ] - [ -0.0014387800000000, -0.0016258800000000, 0.0020597500000000 ] - [ -0.0002063100000000, -0.0004310000000000, 0.0001639300000000 ] - [ 0.0002720900000000, -0.0004657900000000, 0.0002274900000000 ] - [ 0.0000571600000000, -0.0001613400000000, 0.0003989500000000 ] - [ 0.0013396800000000, 0.0001798300000000, -0.0011629400000000 ] - [ 0.0001157100000000, 0.0002436000000000, -0.0001935100000000 ] - [ 0.0007005500000000, 0.0005964000000000, -0.0024510300000000 ] - [ -0.0000816200000000, 0.0003967700000000, -0.0002087500000000 ] - [ -0.0010515600000000, -0.0015088800000000, 0.0008743900000000 ] - [ -0.0001130100000000, -0.0002018200000000, -0.0003419200000000 ] - [ -0.0008753500000000, -0.0001744600000000, 0.0001950300000000 ] - [ 0.0000599900000000, -0.0001831900000000, 0.0001883600000000 ] - [ 0.0006604200000000, 0.0003997700000000, 0.0008741000000000 ] - [ 0.0001040100000000, 0.0000592900000000, 0.0003606700000000 ] - [ -0.0001104600000000, 0.0002828200000000, -0.0002446800000000 ] - [ 0.0007598800000000, -0.0007609100000000, 0.0013194600000000 ] - [ 0.0006421800000000, 0.0013194400000000, 0.0002846600000000 ] - [ -0.0002508600000000, 0.0000973900000000, 0.0002379600000000 ] - [ 0.0004745800000000, 0.0004711600000000, 0.0001803100000000 ] - [ 0.0003173200000000, 0.0002085600000000, -0.0001249100000000 ] - [ -0.0007321900000000, -0.0010306300000000, -0.0003046900000000 ] - [ 0.0002404900000000, -0.0004589500000000, -0.0002286700000000 ] - [ -0.0002236800000000, -0.0018309100000000, 0.0006559300000000 ] - [ -0.0003140200000000, 0.0001308400000000, 0.0002000700000000 ] - [ -0.0003755600000000, -0.0004803800000000, -0.0016831100000000 ] - [ 0.0002086700000000, 0.0001944900000000, -0.0001201500000000 ] - [ -0.0007815500000000, 0.0006066900000000, -0.0000652400000000 ] - [ -0.0002462400000000, 0.0000484000000000, -0.0000073200000000 ] - [ 0.0005628800000000, -0.0000553700000000, -0.0000024500000000 ] - [ -0.0001667900000000, -0.0003494200000000, 0.0000305900000000 ] - [ 0.0001061900000000, -0.0002965400000000, 0.0005258300000000 ] - [ 0.0000913400000000, -0.0001563900000000, 0.0004208800000000 ] - [ 0.0000797100000000, 0.0004612400000000, 0.0022271300000000 ] - [ 0.0001503200000000, 0.0001668000000000, 0.0001851400000000 ] - [ -0.0001404200000000, 0.0004444300000000, -0.0000261600000000 ] - [ -0.0000403900000000, 0.0002242400000000, -0.0001458500000000 ] - [ -0.0013566600000000, -0.0004823300000000, 0.0001170900000000 ] - [ -0.0001700600000000, -0.0002545400000000, -0.0002575800000000 ] - [ -0.0002757000000000, 0.0003206400000000, -0.0014040900000000 ] - [ 0.0000826900000000, -0.0004564100000000, 0.0000839600000000 ] - [ 0.0001484400000000, -0.0002051700000000, -0.0006780400000000 ] - [ -0.0000843500000000, 0.0002447200000000, -0.0000068100000000 ] - [ -0.0000015000000000, 0.0002046800000000, -0.0000508600000000 ] - [ 0.0000907300000000, 0.0001994300000000, -0.0000702500000000 ] - [ 0.0003450200000000, -0.0003277700000000, 0.0002915100000000 ] - [ 0.0000785700000000, -0.0001579500000000, 0.0000044100000000 ] - [ -0.0000807900000000, -0.0000574100000000, 0.0001965900000000 ] - [ -0.0003586900000000, -0.0003231000000000, 0.0003491200000000 ] - [ -0.0025731000000000, 0.0011265200000000, -0.0059589300000000 ] - [ -0.0000342400000000, 0.0002031900000000, -0.0001807100000000 ] - [ -0.0000772600000000, 0.0001846200000000, -0.0000492400000000 ] - [ -0.0000617100000000, 0.0001576300000000, 0.0000907100000000 ] - [ 0.0006015300000000, -0.0003162100000000, 0.0005596800000000 ] - [ 0.0000846300000000, -0.0001126200000000, 0.0002674900000000 ] - [ 0.0038072100000000, -0.0028074400000000, -0.0025413900000000 ] - [ -0.0000057700000000, -0.0000622600000000, -0.0001421900000000 ] - [ -0.0128898100000000, -0.0026017500000000, 0.0208755400000000 ] - [ 0.0004632100000000, 0.0000274800000000, -0.0003049900000000 ] - [ -0.0005165300000000, 0.0000179400000000, 0.0005082000000000 ] - [ -0.0004549900000000, -0.0000664300000000, 0.0005284800000000 ] - [ -0.0002509800000000, 0.0000363700000000, 0.0000778400000000 ] - [ -0.0003983400000000, 0.0001990800000000, 0.0002312500000000 ] - [ 0.0009199700000000, -0.0001551200000000, -0.0009956100000000 ] - [ 0.0005102000000000, 0.0001542900000000, -0.0004011500000000 ] - [ -0.0000192000000000, -0.0015034300000000, 0.0002530500000000 ] - [ -0.0000250100000000, 0.0004598400000000, 0.0001644400000000 ] - [ -0.0015232400000000, -0.0008488100000000, -0.0006096000000000 ] - [ -0.0001135300000000, 0.0001093100000000, 0.0000598800000000 ] - [ -0.0007161300000000, -0.0002765100000000, 0.0000831800000000 ] - [ -0.0000458900000000, 0.0000406500000000, 0.0000278800000000 ] - [ 0.0000130100000000, 0.0002262300000000, -0.0006548800000000 ] - [ 0.0001015700000000, -0.0000206900000000, -0.0001633900000000 ] - [ 0.0004931900000000, -0.0005545600000000, 0.0005214300000000 ] - [ 0.0007906600000000, -0.0001076700000000, 0.0002693400000000 ] - [ -0.0009539100000000, 0.0001209900000000, -0.0012810900000000 ] - [ -0.0008094700000000, -0.0000191400000000, -0.0003621100000000 ] - [ -0.0007210600000000, 0.0002847000000000, 0.0006734300000000 ] - [ -0.0008485800000000, 0.0002636500000000, -0.0001718300000000 ] - [ 0.0013756000000000, 0.0007186700000000, -0.0004017100000000 ] - [ 0.0010378500000000, -0.0000605700000000, 0.0001357300000000 ] - [ 0.0040187000000000, 0.0045195700000000, 0.0001731100000000 ] - [ 0.0000566800000000, -0.0003754600000000, -0.0001374700000000 ] - [ 0.0004606500000000, -0.0004591200000000, 0.0009278300000000 ] - [ -0.0000532900000000, -0.0002300000000000, 0.0003319400000000 ] - [ -0.0005078000000000, 0.0001111700000000, -0.0003131800000000 ] - [ -0.0000194600000000, 0.0004496300000000, 0.0001624500000000 ] - [ -0.0000213200000000, 0.0000971200000000, -0.0004744300000000 ] - [ -0.0001136000000000, 0.0005045400000000, -0.0006865500000000 ] - [ 0.0013694100000000, -0.0007735300000000, -0.0034744800000000 ] - [ -0.0005626900000000, 0.0004218900000000, 0.0003550200000000 ] - [ 0.0005882700000000, -0.0000166700000000, -0.0006579700000000 ] - [ 0.0005141500000000, 0.0004130700000000, -0.0004534700000000 ] - [ 0.0041659000000000, -0.0019658700000000, 0.0008264200000000 ] - [ 0.0006620500000000, -0.0001810400000000, -0.0004019700000000 ] - [ -0.0008774600000000, 0.0001170200000000, 0.0004463300000000 ] - [ -0.0008004100000000, -0.0006955300000000, 0.0005672700000000 ] - [ -0.0005353400000000, -0.0000797800000000, -0.0038082400000000 ] - [ -0.0001000900000000, 0.0008507500000000, 0.0003400200000000 ] - [ 0.0002291700000000, 0.0006338900000000, -0.0004943200000000 ] - [ 0.0005746300000000, 0.0012094300000000, -0.0008881700000000 ] - [ -0.0005373400000000, -0.0001020100000000, -0.0012663200000000 ] - [ 0.0000999000000000, -0.0007554600000000, -0.0003391200000000 ] - [ 0.0013763500000000, 0.0078013400000000, 0.0002762600000000 ] - [ -0.0001089100000000, -0.0008230500000000, 0.0004220500000000 ]- atom: 73 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0011853600000000, -0.0000683800000000, 0.0006045400000000 ] - [ 0.0001401500000000, 0.0005878200000000, 0.0000005100000000 ] - [ 0.0004419700000000, 0.0007496200000000, -0.0001373400000000 ] - [ 0.0000740400000000, 0.0004103600000000, -0.0000189600000000 ] - [ 0.0042145500000000, 0.0012082200000000, -0.0019096400000000 ] - [ 0.0000409000000000, -0.0005067700000000, -0.0000295200000000 ] - [ 0.0000611100000000, -0.0004140600000000, 0.0000999400000000 ] - [ 0.0001996700000000, -0.0005299800000000, 0.0002679800000000 ] - [ -0.0006558300000000, -0.0002544900000000, 0.0003279100000000 ] - [ -0.0001114400000000, -0.0003416400000000, 0.0001842000000000 ] - [ -0.0003160700000000, -0.0006895200000000, 0.0018384700000000 ] - [ 0.0001831900000000, -0.0004686100000000, -0.0000003300000000 ] - [ 0.0013778200000000, 0.0014849200000000, 0.0011808900000000 ] - [ 0.0002288800000000, 0.0003283300000000, -0.0000711400000000 ] - [ -0.0000044900000000, 0.0004957900000000, 0.0000194000000000 ] - [ 0.0007105100000000, 0.0000392700000000, 0.0001437500000000 ] - [ 0.0008958000000000, 0.0006516800000000, 0.0005927700000000 ] - [ -0.0000787400000000, -0.0002457600000000, -0.0003134200000000 ] - [ 0.0002236400000000, -0.0003232800000000, 0.0003836900000000 ] - [ -0.0008131000000000, 0.0008496400000000, -0.0009870400000000 ] - [ -0.0002373500000000, -0.0002081900000000, -0.0000406000000000 ] - [ 0.0001136700000000, 0.0001244400000000, 0.0003213400000000 ] - [ 0.0010653200000000, -0.0001707700000000, -0.0004371400000000 ] - [ -0.0000521700000000, 0.0001755600000000, -0.0002616700000000 ] - [ 0.0015763800000000, 0.0011233700000000, 0.0012527200000000 ] - [ -0.0002535900000000, 0.0002918400000000, 0.0002074700000000 ] - [ 0.0002549000000000, 0.0003757200000000, -0.0002965200000000 ] - [ 0.0001169100000000, 0.0003870500000000, -0.0003636100000000 ] - [ -0.0021977800000000, -0.0010777700000000, -0.0004199900000000 ] - [ 0.0000643200000000, -0.0001983700000000, -0.0001847800000000 ] - [ -0.0004186100000000, -0.0011102500000000, 0.0011582600000000 ] - [ -0.0003031700000000, -0.0003376100000000, 0.0002125000000000 ] - [ -0.0008018200000000, 0.0008622400000000, 0.0000800500000000 ] - [ 0.0001861200000000, 0.0001854600000000, -0.0000278600000000 ] - [ -0.0002132100000000, 0.0001958200000000, -0.0002066500000000 ] - [ -0.0005814800000000, 0.0005604500000000, -0.0001004300000000 ] - [ -0.0008952500000000, 0.0006597900000000, -0.0001374500000000 ] - [ -0.0002550800000000, -0.0003478900000000, -0.0001521700000000 ] - [ 0.0002690800000000, -0.0004947500000000, -0.0005769200000000 ] - [ 0.0001713300000000, -0.0002690200000000, -0.0000303300000000 ] - [ 0.0000790500000000, 0.0003964300000000, -0.0000346400000000 ] - [ 0.0001178300000000, 0.0002575900000000, 0.0000914900000000 ] - [ -0.0011488100000000, -0.0013534700000000, -0.0014426900000000 ] - [ -0.0001450700000000, 0.0002635200000000, -0.0001505600000000 ] - [ -0.0013547200000000, -0.0002493800000000, -0.0002130800000000 ] - [ -0.0001564000000000, -0.0003409200000000, -0.0001362500000000 ] - [ -0.0000064500000000, -0.0000868900000000, 0.0001870900000000 ] - [ -0.0003557900000000, -0.0018092400000000, 0.0007126500000000 ] - [ -0.0001768900000000, 0.0000433900000000, -0.0000995700000000 ] - [ -0.0000907000000000, 0.0002486800000000, 0.0000261500000000 ] - [ 0.0000890400000000, 0.0001892900000000, -0.0000243300000000 ] - [ 0.0005072500000000, 0.0001998200000000, 0.0002729700000000 ] - [ 0.0004984800000000, -0.0004650900000000, 0.0005128000000000 ] - [ 0.0000913900000000, -0.0001651600000000, -0.0000346100000000 ] - [ 0.0028515100000000, 0.0042616900000000, -0.0006413200000000 ] - [ -0.0000787300000000, -0.0002238900000000, 0.0000211200000000 ] - [ -0.0001088600000000, 0.0000759900000000, -0.0001063100000000 ] - [ -0.0000919500000000, 0.0002868700000000, -0.0000680200000000 ] - [ 0.0004748000000000, 0.0001311100000000, 0.0008117800000000 ] - [ 0.0000193500000000, 0.0001773600000000, 0.0001650200000000 ] - [ 0.0009784100000000, -0.0001709700000000, 0.0002994000000000 ] - [ 0.0000481500000000, -0.0001008900000000, 0.0001651300000000 ] - [ 0.0000886600000000, -0.0003025300000000, -0.0001649000000000 ] - [ 0.0000344200000000, 0.0000422000000000, -0.0006571200000000 ] - [ -0.0004120200000000, -0.0017611900000000, -0.0005418400000000 ] - [ 0.0002732900000000, -0.0000085700000000, -0.0003046100000000 ] - [ 0.0012022900000000, -0.0013971900000000, 0.0024259800000000 ] - [ -0.0005403100000000, -0.0000164200000000, 0.0003639000000000 ] - [ -0.0006172500000000, 0.0000175700000000, 0.0009744400000000 ] - [ -0.0004594700000000, 0.0000712500000000, 0.0003201200000000 ] - [ 0.0004345200000000, 0.0001109900000000, -0.0003884000000000 ] - [ 0.0000615000000000, 0.0001028600000000, -0.0004262800000000 ] - [ -0.0190963400000000, -0.0039496600000000, -0.0019332500000000 ] - [ 0.0000438700000000, 0.0000435900000000, -0.0000278700000000 ] - [ -0.0001730000000000, 0.0002196200000000, 0.0001803600000000 ] - [ -0.0001729000000000, -0.0000309400000000, 0.0000415600000000 ] - [ -0.0000350200000000, 0.0002729000000000, -0.0005454900000000 ] - [ 0.0000050100000000, -0.0005261100000000, 0.0000252400000000 ] - [ -0.0002723900000000, 0.0001059700000000, -0.0004499600000000 ] - [ 0.0000681600000000, 0.0000192600000000, -0.0000627700000000 ] - [ 0.0049756500000000, -0.0008916600000000, 0.0040124000000000 ] - [ 0.0008432200000000, -0.0001220500000000, 0.0002514500000000 ] - [ -0.0008516800000000, -0.0001818800000000, -0.0001752700000000 ] - [ -0.0007336700000000, -0.0001317100000000, -0.0000201300000000 ] - [ -0.0002523700000000, -0.0003888300000000, -0.0003504800000000 ] - [ -0.0006163000000000, 0.0004585500000000, -0.0002884700000000 ] - [ 0.0012634500000000, 0.0004202300000000, 0.0000631500000000 ] - [ 0.0008923500000000, 0.0001911200000000, 0.0002314100000000 ] - [ 0.0015580300000000, -0.0003631300000000, -0.0039971800000000 ] - [ 0.0000718300000000, -0.0002903600000000, -0.0002186600000000 ] - [ 0.0001476000000000, 0.0001202400000000, 0.0004390800000000 ] - [ 0.0006195400000000, -0.0006261200000000, 0.0002994600000000 ] - [ 0.0000995000000000, 0.0002187000000000, 0.0005599200000000 ] - [ -0.0000120800000000, 0.0003672600000000, 0.0002309900000000 ] - [ -0.0004023500000000, 0.0010842000000000, 0.0017807500000000 ] - [ 0.0000445000000000, 0.0003407400000000, -0.0002320600000000 ] - [ -0.0026915200000000, 0.0006308400000000, -0.0014307600000000 ] - [ -0.0006656200000000, 0.0002774800000000, 0.0004319300000000 ] - [ 0.0005951000000000, 0.0003009700000000, -0.0004384600000000 ] - [ 0.0007204300000000, 0.0003076400000000, -0.0009060400000000 ] - [ 0.0055531500000000, 0.0070223400000000, 0.0006964600000000 ] - [ 0.0005753300000000, -0.0003336000000000, -0.0003833800000000 ] - [ -0.0010123100000000, 0.0000243600000000, -0.0001027000000000 ] - [ -0.0006348200000000, -0.0002893200000000, 0.0003474100000000 ] - [ -0.0003067300000000, 0.0006851300000000, 0.0001554900000000 ] - [ -0.0001630000000000, 0.0008229200000000, 0.0002882200000000 ] - [ 0.0034130800000000, -0.0053266600000000, -0.0042524500000000 ] - [ 0.0000701800000000, 0.0008419800000000, -0.0003960800000000 ] - [ -0.0001154900000000, -0.0006136700000000, 0.0017967100000000 ] - [ 0.0001004500000000, -0.0007357300000000, -0.0003848600000000 ] - [ -0.0003450300000000, -0.0005974200000000, 0.0004408400000000 ] - [ -0.0008207800000000, -0.0014923000000000, 0.0002350900000000 ]- atom: 73 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0012715500000000, 0.0009632600000000, -0.0005616300000000 ] - [ -0.0002186200000000, 0.0003308300000000, 0.0000545200000000 ] - [ -0.0003669000000000, 0.0001558200000000, 0.0000749000000000 ] - [ 0.0000045000000000, 0.0004927400000000, -0.0000343600000000 ] - [ -0.0044452900000000, -0.0022078400000000, 0.0020317900000000 ] - [ 0.0000370900000000, -0.0003947500000000, -0.0000235100000000 ] - [ -0.0001401000000000, -0.0004896100000000, -0.0000468300000000 ] - [ -0.0002784300000000, -0.0003679600000000, -0.0002201700000000 ] - [ 0.0002748300000000, -0.0004817400000000, -0.0001955800000000 ] - [ -0.0002709400000000, -0.0003910900000000, -0.0000588700000000 ] - [ 0.0007045100000000, -0.0000331100000000, -0.0019797100000000 ] - [ 0.0001973900000000, -0.0002639800000000, -0.0001250700000000 ] - [ -0.0010289200000000, -0.0008202400000000, -0.0013766300000000 ] - [ 0.0001526300000000, 0.0004063600000000, -0.0000540400000000 ] - [ -0.0003774600000000, 0.0002363300000000, 0.0001060900000000 ] - [ -0.0010869000000000, 0.0007176500000000, -0.0000311800000000 ] - [ -0.0011349000000000, -0.0009384300000000, -0.0012435900000000 ] - [ -0.0001719500000000, -0.0000462600000000, -0.0003408800000000 ] - [ 0.0000262500000000, 0.0000316100000000, 0.0002684500000000 ] - [ 0.0010614800000000, -0.0011445300000000, 0.0016527900000000 ] - [ 0.0004856300000000, 0.0004967700000000, 0.0006936600000000 ] - [ 0.0001371200000000, 0.0001694900000000, 0.0003314900000000 ] - [ -0.0013142500000000, 0.0004708800000000, -0.0002059600000000 ] - [ -0.0001997200000000, 0.0001167500000000, -0.0003930400000000 ] - [ -0.0021674700000000, -0.0004852900000000, -0.0008526700000000 ] - [ -0.0003381700000000, 0.0003800100000000, 0.0001627400000000 ] - [ 0.0003379100000000, 0.0002937200000000, -0.0000742000000000 ] - [ 0.0004757000000000, 0.0002828500000000, -0.0000085800000000 ] - [ 0.0028024700000000, 0.0004087900000000, 0.0000495200000000 ] - [ 0.0005254500000000, -0.0004727500000000, -0.0001858900000000 ] - [ -0.0001650900000000, 0.0004301900000000, -0.0007852100000000 ] - [ -0.0002897500000000, -0.0003322100000000, 0.0001585700000000 ] - [ 0.0012030500000000, -0.0003957900000000, -0.0001573300000000 ] - [ 0.0001309500000000, 0.0003252100000000, -0.0000330500000000 ] - [ -0.0001028300000000, 0.0003146400000000, 0.0002703000000000 ] - [ 0.0002643300000000, -0.0000499700000000, 0.0001645300000000 ] - [ 0.0005759000000000, -0.0011665000000000, 0.0001940400000000 ] - [ -0.0000593900000000, -0.0001624600000000, 0.0002108100000000 ] - [ 0.0000436800000000, -0.0000115900000000, 0.0005267000000000 ] - [ 0.0001440800000000, -0.0002415400000000, -0.0000309400000000 ] - [ 0.0001984500000000, 0.0001919300000000, 0.0002817200000000 ] - [ 0.0001585600000000, 0.0003329900000000, 0.0001567800000000 ] - [ 0.0008735000000000, 0.0019307800000000, 0.0011854900000000 ] - [ -0.0001320600000000, 0.0003268100000000, -0.0000959100000000 ] - [ 0.0010692900000000, -0.0003456300000000, -0.0000297800000000 ] - [ -0.0001207200000000, -0.0002483700000000, -0.0001101100000000 ] - [ 0.0002870300000000, -0.0005023100000000, 0.0000603800000000 ] - [ 0.0006349400000000, 0.0012093900000000, -0.0004609100000000 ] - [ 0.0000232400000000, 0.0003540000000000, 0.0001624800000000 ] - [ -0.0000627500000000, 0.0001469000000000, 0.0000402900000000 ] - [ 0.0000637700000000, 0.0002062900000000, -0.0000424600000000 ] - [ -0.0003574900000000, 0.0001946300000000, -0.0003373800000000 ] - [ -0.0003435200000000, 0.0000701500000000, -0.0005847800000000 ] - [ 0.0000618900000000, -0.0002310000000000, -0.0000325400000000 ] - [ -0.0029544300000000, -0.0045781900000000, 0.0007003400000000 ] - [ -0.0000753400000000, -0.0001722400000000, 0.0000456400000000 ] - [ 0.0000941100000000, 0.0002536200000000, -0.0002050300000000 ] - [ 0.0000748900000000, 0.0000399300000000, -0.0002446200000000 ] - [ -0.0004635600000000, 0.0001984900000000, -0.0004997700000000 ] - [ -0.0000069100000000, 0.0001524800000000, 0.0001460200000000 ] - [ -0.0009710000000000, -0.0001587700000000, 0.0000123500000000 ] - [ -0.0000357100000000, -0.0002294100000000, 0.0001456800000000 ] - [ -0.0001027600000000, -0.0000279100000000, -0.0001463600000000 ] - [ -0.0000505000000000, -0.0003712700000000, 0.0003386700000000 ] - [ 0.0014119200000000, 0.0016210300000000, -0.0001355000000000 ] - [ 0.0007320100000000, -0.0001381100000000, -0.0003706900000000 ] - [ -0.0022264700000000, 0.0012705200000000, -0.0017764200000000 ] - [ -0.0004695200000000, -0.0001280500000000, 0.0003125100000000 ] - [ -0.0003708800000000, 0.0001295900000000, -0.0003187400000000 ] - [ -0.0005507400000000, 0.0000726900000000, 0.0003569600000000 ] - [ 0.0005756000000000, 0.0000336800000000, -0.0002884600000000 ] - [ 0.0009524200000000, 0.0000412300000000, -0.0002504500000000 ] - [ 0.0194670600000000, 0.0041271000000000, 0.0017449200000000 ] - [ 0.0001118100000000, -0.0000220700000000, -0.0000651400000000 ] - [ 0.0000179500000000, -0.0001965100000000, -0.0000887200000000 ] - [ 0.0000196600000000, 0.0000515000000000, 0.0000540600000000 ] - [ -0.0001179000000000, -0.0002949800000000, 0.0006447800000000 ] - [ -0.0001566600000000, 0.0005086300000000, 0.0000659000000000 ] - [ 0.0004278000000000, -0.0001270600000000, 0.0003573900000000 ] - [ 0.0000873300000000, -0.0000418500000000, -0.0000300300000000 ] - [ -0.0032325400000000, 0.0005389300000000, -0.0034530800000000 ] - [ 0.0008714700000000, -0.0002188800000000, 0.0002109400000000 ] - [ -0.0008642200000000, -0.0001584900000000, -0.0002879900000000 ] - [ -0.0009824500000000, -0.0002094700000000, -0.0004443400000000 ] - [ -0.0014664200000000, 0.0007286000000000, -0.0001118700000000 ] - [ -0.0010989700000000, -0.0001124300000000, -0.0001728300000000 ] - [ 0.0004536000000000, -0.0000749700000000, 0.0003935500000000 ] - [ 0.0008232600000000, 0.0001496700000000, 0.0002306000000000 ] - [ -0.0014192100000000, -0.0003009800000000, 0.0034732600000000 ] - [ 0.0000445200000000, -0.0003774300000000, -0.0002366000000000 ] - [ -0.0002646800000000, -0.0007912300000000, 0.0000141200000000 ] - [ -0.0007333500000000, -0.0000406700000000, 0.0001509400000000 ] - [ -0.0002151800000000, 0.0004500900000000, -0.0001031200000000 ] - [ -0.0001054100000000, 0.0002996300000000, 0.0002242400000000 ] - [ 0.0004992300000000, -0.0004042500000000, -0.0022568300000000 ] - [ 0.0000724700000000, 0.0003264600000000, -0.0002229900000000 ] - [ 0.0015450500000000, -0.0000584200000000, 0.0022594200000000 ] - [ -0.0005116000000000, 0.0002834300000000, 0.0003913700000000 ] - [ 0.0005820600000000, 0.0002606800000000, -0.0003842500000000 ] - [ 0.0004554000000000, 0.0002532800000000, 0.0000933300000000 ] - [ -0.0044132000000000, -0.0077062700000000, -0.0015599200000000 ] - [ 0.0006049400000000, -0.0002311400000000, -0.0004388500000000 ] - [ -0.0001775600000000, -0.0005892100000000, 0.0009470000000000 ] - [ -0.0005429200000000, -0.0002721000000000, 0.0004756300000000 ] - [ 0.0000742500000000, 0.0008429500000000, 0.0006059700000000 ] - [ -0.0000668800000000, 0.0007049100000000, 0.0004753700000000 ] - [ -0.0032251900000000, 0.0069578100000000, 0.0035516000000000 ] - [ 0.0001596800000000, 0.0006857800000000, -0.0003667800000000 ] - [ 0.0003476100000000, -0.0009152800000000, -0.0025561500000000 ] - [ 0.0001291900000000, -0.0007935300000000, -0.0003783100000000 ] - [ 0.0001168800000000, -0.0009339200000000, 0.0003224700000000 ] - [ 0.0006095600000000, -0.0000704000000000, 0.0005236000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000159800000000, -0.0012712200000000, 0.0003786500000000 ] - [ -0.0001989600000000, -0.0018749800000000, -0.0003016200000000 ] - [ 0.0001658900000000, 0.0020741000000000, 0.0004866400000000 ] - [ 0.0000165600000000, -0.0001457900000000, -0.0000543300000000 ] - [ 0.0009263200000000, 0.0024181400000000, -0.0007972400000000 ] - [ 0.0000792300000000, -0.0011680400000000, -0.0001162000000000 ] - [ -0.0000748800000000, -0.0008512500000000, -0.0000461800000000 ] - [ 0.0001279800000000, -0.0009301800000000, 0.0004654800000000 ] - [ -0.0007331900000000, -0.0002508600000000, 0.0012504600000000 ] - [ -0.0001618500000000, -0.0007045300000000, -0.0000142700000000 ] - [ 0.0001166300000000, 0.0000418000000000, -0.0003522200000000 ] - [ 0.0002095400000000, -0.0008205200000000, -0.0000301600000000 ] - [ 0.0000860700000000, 0.0022113800000000, 0.0013713600000000 ] - [ 0.0001612800000000, -0.0001043800000000, 0.0001287800000000 ] - [ -0.0003120400000000, -0.0003303200000000, -0.0001286500000000 ] - [ -0.0005632000000000, 0.0006143600000000, 0.0004898200000000 ] - [ 0.0001531500000000, 0.0003329100000000, -0.0006246600000000 ] - [ -0.0002370300000000, -0.0006491600000000, -0.0002627100000000 ] - [ 0.0001927700000000, -0.0007304300000000, 0.0004013200000000 ] - [ 0.0008892200000000, 0.0002369300000000, 0.0001734100000000 ] - [ -0.0001255600000000, 0.0000943000000000, 0.0001634600000000 ] - [ 0.0001045700000000, -0.0002700600000000, 0.0003348900000000 ] - [ -0.0006828200000000, 0.0026011600000000, 0.0008391800000000 ] - [ 0.0000289300000000, -0.0004054200000000, -0.0001187500000000 ] - [ -0.0011415300000000, 0.0028177400000000, -0.0024194100000000 ] - [ -0.0004389700000000, -0.0003046300000000, 0.0001825700000000 ] - [ 0.0003156600000000, 0.0000058900000000, -0.0002739900000000 ] - [ 0.0003366300000000, 0.0004233900000000, -0.0000556900000000 ] - [ -0.0011656200000000, -0.0009198600000000, -0.0007142900000000 ] - [ 0.0003191100000000, -0.0006233000000000, -0.0000450400000000 ] - [ -0.0009981400000000, 0.0008270700000000, 0.0004571700000000 ] - [ -0.0001718000000000, -0.0008804300000000, 0.0001265200000000 ] - [ 0.0001351700000000, 0.0013949600000000, -0.0001635500000000 ] - [ 0.0000266800000000, -0.0002546800000000, -0.0000739900000000 ] - [ -0.0001204200000000, -0.0000673100000000, -0.0001527900000000 ] - [ -0.0000008500000000, 0.0003017200000000, 0.0001962800000000 ] - [ -0.0000863100000000, -0.0003729300000000, 0.0002813300000000 ] - [ -0.0002440500000000, -0.0005947800000000, -0.0001442200000000 ] - [ 0.0003649000000000, -0.0003806000000000, -0.0009447400000000 ] - [ 0.0002065600000000, -0.0005865500000000, 0.0000106700000000 ] - [ 0.0001290500000000, 0.0001737700000000, 0.0003777500000000 ] - [ 0.0000818800000000, 0.0000173000000000, -0.0001811300000000 ] - [ -0.0006725000000000, 0.0020702000000000, 0.0004388900000000 ] - [ -0.0001680300000000, -0.0002523000000000, -0.0001352400000000 ] - [ 0.0000217000000000, 0.0008283800000000, -0.0003204900000000 ] - [ -0.0001484700000000, -0.0007920300000000, -0.0000982100000000 ] - [ 0.0004604000000000, -0.0008261200000000, 0.0002158200000000 ] - [ -0.0000228000000000, -0.0012593200000000, 0.0003062000000000 ] - [ -0.0001801500000000, -0.0001175000000000, -0.0001954500000000 ] - [ -0.0000998300000000, 0.0004574300000000, 0.0000933200000000 ] - [ 0.0001240400000000, 0.0004838400000000, -0.0000715700000000 ] - [ 0.0000855000000000, -0.0001025600000000, 0.0000232300000000 ] - [ 0.0004031800000000, -0.0005381600000000, 0.0004408300000000 ] - [ 0.0000379600000000, 0.0000393900000000, -0.0000782200000000 ] - [ 0.0028427900000000, 0.0023280000000000, -0.0004325700000000 ] - [ -0.0000639700000000, 0.0001835600000000, 0.0000274100000000 ] - [ -0.0001656900000000, 0.0002578400000000, -0.0004076800000000 ] - [ 0.0003776000000000, 0.0005463000000000, 0.0002147100000000 ] - [ 0.0004610200000000, -0.0003848700000000, 0.0001584800000000 ] - [ -0.0000209300000000, 0.0004119200000000, 0.0001240500000000 ] - [ -0.0000127500000000, -0.0009396700000000, 0.0001787400000000 ] - [ 0.0000275400000000, 0.0001520900000000, 0.0001813700000000 ] - [ -0.0001269400000000, 0.0000041100000000, 0.0000110600000000 ] - [ 0.0001190400000000, 0.0000165600000000, -0.0003747300000000 ] - [ -0.0009076400000000, 0.0038933100000000, 0.0007628700000000 ] - [ 0.0009307000000000, 0.0006767400000000, -0.0006712800000000 ] - [ -0.0018978900000000, -0.0004865200000000, -0.0010443100000000 ] - [ -0.0005581500000000, 0.0003085300000000, 0.0004242800000000 ] - [ -0.0006042400000000, -0.0006308400000000, 0.0005887900000000 ] - [ -0.0004659200000000, 0.0004131500000000, 0.0002970400000000 ] - [ 0.0004094600000000, 0.0004299200000000, -0.0003812500000000 ] - [ 0.0003776800000000, 0.0000905500000000, -0.0001339900000000 ] - [ -0.0039383500000000, -0.0233258100000000, -0.0005565200000000 ] - [ 0.0001108300000000, 0.0004571200000000, -0.0000342000000000 ] - [ -0.0000358500000000, 0.0002735900000000, 0.0002647100000000 ] - [ -0.0002886300000000, 0.0002709700000000, -0.0003242300000000 ] - [ 0.0002055400000000, 0.0007079300000000, -0.0002293900000000 ] - [ -0.0005977700000000, 0.0000835900000000, 0.0002850400000000 ] - [ -0.0000390300000000, -0.0007585000000000, -0.0001057600000000 ] - [ 0.0000471900000000, 0.0003508300000000, -0.0000468500000000 ] - [ -0.0020606700000000, -0.0010962000000000, -0.0008304900000000 ] - [ 0.0009015900000000, 0.0002411500000000, 0.0003694500000000 ] - [ -0.0008364800000000, 0.0000760200000000, -0.0002964800000000 ] - [ -0.0008203300000000, -0.0002231300000000, -0.0002171100000000 ] - [ -0.0008712400000000, 0.0002408200000000, -0.0001036400000000 ] - [ -0.0007660900000000, 0.0005934800000000, -0.0002049000000000 ] - [ 0.0007826800000000, -0.0003102100000000, 0.0005293600000000 ] - [ 0.0008734900000000, 0.0005272100000000, 0.0001426000000000 ] - [ -0.0004887000000000, -0.0011913500000000, 0.0009125700000000 ] - [ 0.0002213000000000, 0.0001277900000000, -0.0003082800000000 ] - [ -0.0000664800000000, 0.0002517000000000, 0.0004773200000000 ] - [ 0.0001458000000000, -0.0003627900000000, 0.0001841100000000 ] - [ -0.0000742000000000, 0.0003699800000000, 0.0000649600000000 ] - [ 0.0000193900000000, 0.0005307900000000, 0.0002794700000000 ] - [ 0.0022660200000000, -0.0018299400000000, 0.0034984100000000 ] - [ -0.0000482100000000, 0.0007463900000000, -0.0002108600000000 ] - [ 0.0026297000000000, 0.0028703100000000, -0.0034345100000000 ] - [ -0.0005446700000000, 0.0007380300000000, 0.0003532800000000 ] - [ 0.0005537600000000, 0.0005796000000000, -0.0003883800000000 ] - [ 0.0004132600000000, 0.0000091900000000, -0.0007067900000000 ] - [ 0.0066918300000000, 0.0036523200000000, -0.0012072700000000 ] - [ 0.0003925900000000, 0.0003874800000000, -0.0005902400000000 ] - [ 0.0007385100000000, -0.0002179100000000, -0.0022654000000000 ] - [ -0.0006922700000000, 0.0001268600000000, 0.0005681500000000 ] - [ -0.0001700800000000, 0.0007647500000000, 0.0001947300000000 ] - [ -0.0001194600000000, 0.0010766500000000, 0.0003169700000000 ] - [ -0.0010703600000000, -0.0002250700000000, 0.0005849200000000 ] - [ 0.0000554700000000, 0.0012881700000000, -0.0004087000000000 ] - [ 0.0002515700000000, -0.0013303600000000, 0.0023755700000000 ] - [ 0.0001671800000000, -0.0003209100000000, -0.0004240900000000 ] - [ -0.0001476800000000, -0.0000989300000000, 0.0002375500000000 ] - [ -0.0020544200000000, 0.0055917400000000, 0.0010129500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000604700000000, 0.0021643400000000, -0.0003274900000000 ] - [ 0.0001144700000000, 0.0027511500000000, 0.0003509100000000 ] - [ -0.0000842000000000, -0.0011613400000000, -0.0005415800000000 ] - [ 0.0000626700000000, 0.0010455500000000, 0.0000014300000000 ] - [ -0.0008744300000000, -0.0033007000000000, 0.0007501200000000 ] - [ 0.0000000800000000, 0.0002612300000000, 0.0000618800000000 ] - [ -0.0000036000000000, -0.0000547100000000, 0.0001004100000000 ] - [ -0.0002057100000000, 0.0000244500000000, -0.0004074300000000 ] - [ 0.0003486900000000, -0.0004819600000000, -0.0011231300000000 ] - [ -0.0002185600000000, -0.0000293200000000, 0.0001380300000000 ] - [ 0.0002604400000000, -0.0007732200000000, 0.0002356300000000 ] - [ 0.0001719100000000, 0.0000848800000000, -0.0000951700000000 ] - [ 0.0002288500000000, -0.0015342600000000, -0.0016187900000000 ] - [ 0.0002194000000000, 0.0008348100000000, -0.0002514700000000 ] - [ -0.0000662300000000, 0.0010640400000000, 0.0002528600000000 ] - [ 0.0001719100000000, 0.0002127100000000, -0.0004181700000000 ] - [ -0.0004053700000000, -0.0006312000000000, -0.0000328000000000 ] - [ -0.0000149500000000, 0.0003539000000000, -0.0003898500000000 ] - [ 0.0000586600000000, 0.0004353600000000, 0.0002526200000000 ] - [ -0.0006364500000000, -0.0005185900000000, 0.0004719600000000 ] - [ 0.0003759400000000, 0.0001976600000000, 0.0004881200000000 ] - [ 0.0001467300000000, 0.0005611100000000, 0.0003191500000000 ] - [ 0.0004310300000000, -0.0021959900000000, -0.0013759300000000 ] - [ -0.0002797900000000, 0.0006952100000000, -0.0005347500000000 ] - [ 0.0005887500000000, -0.0021629100000000, 0.0029028700000000 ] - [ -0.0001548400000000, 0.0009711300000000, 0.0001872400000000 ] - [ 0.0002774500000000, 0.0006614800000000, -0.0000973000000000 ] - [ 0.0002567300000000, 0.0002494200000000, -0.0003146000000000 ] - [ 0.0017585800000000, 0.0002473500000000, 0.0003459200000000 ] - [ 0.0002753200000000, -0.0000463200000000, -0.0003247500000000 ] - [ 0.0004003900000000, -0.0014853200000000, -0.0000895100000000 ] - [ -0.0004210700000000, 0.0002077300000000, 0.0002446300000000 ] - [ 0.0002144300000000, -0.0008934200000000, 0.0000950300000000 ] - [ 0.0002872600000000, 0.0007623200000000, 0.0000120900000000 ] - [ -0.0001956000000000, 0.0005757700000000, 0.0002142300000000 ] - [ -0.0003157300000000, 0.0002114800000000, -0.0001351900000000 ] - [ -0.0002265500000000, -0.0001427200000000, -0.0002199600000000 ] - [ -0.0000718700000000, 0.0000831900000000, 0.0002043500000000 ] - [ -0.0000472500000000, -0.0001330500000000, 0.0008821600000000 ] - [ 0.0001088800000000, 0.0000742400000000, -0.0000717700000000 ] - [ 0.0001480100000000, 0.0004130300000000, -0.0001296600000000 ] - [ 0.0001947800000000, 0.0005728900000000, 0.0004249800000000 ] - [ 0.0003967900000000, -0.0014686300000000, -0.0006787700000000 ] - [ -0.0001095800000000, 0.0008392600000000, -0.0001116100000000 ] - [ -0.0002960600000000, -0.0014136600000000, 0.0000703100000000 ] - [ -0.0001289400000000, 0.0002001100000000, -0.0001478800000000 ] - [ -0.0001873000000000, 0.0002340000000000, 0.0000288800000000 ] - [ 0.0003013800000000, 0.0006662200000000, -0.0000597200000000 ] - [ 0.0000276100000000, 0.0005131200000000, 0.0002597400000000 ] - [ -0.0000533800000000, -0.0000607500000000, -0.0000259000000000 ] - [ 0.0000294600000000, -0.0000862000000000, 0.0000044400000000 ] - [ 0.0000686800000000, 0.0004957400000000, -0.0000898900000000 ] - [ -0.0002496400000000, 0.0001429400000000, -0.0005078200000000 ] - [ 0.0001150300000000, -0.0004347300000000, 0.0000105300000000 ] - [ -0.0029403200000000, -0.0026964100000000, 0.0004939700000000 ] - [ -0.0000889700000000, -0.0005791500000000, 0.0000398500000000 ] - [ 0.0001531300000000, 0.0000755100000000, 0.0000966200000000 ] - [ -0.0003860700000000, -0.0002172900000000, -0.0005219200000000 ] - [ -0.0004462300000000, 0.0007123400000000, 0.0001525800000000 ] - [ 0.0000333700000000, -0.0000807500000000, 0.0001866900000000 ] - [ 0.0000237300000000, 0.0006088500000000, 0.0001330200000000 ] - [ -0.0000151000000000, -0.0004805100000000, 0.0001296000000000 ] - [ 0.0001153100000000, -0.0003329300000000, -0.0003233500000000 ] - [ -0.0001298900000000, -0.0003461400000000, 0.0000626100000000 ] - [ 0.0019473600000000, -0.0041194800000000, -0.0014653100000000 ] - [ 0.0000848900000000, -0.0008149200000000, -0.0000099400000000 ] - [ 0.0008803200000000, 0.0003301200000000, 0.0017165600000000 ] - [ -0.0004526200000000, -0.0004505700000000, 0.0002526900000000 ] - [ -0.0004088200000000, 0.0007742300000000, 0.0000891600000000 ] - [ -0.0005444200000000, -0.0002679200000000, 0.0003797800000000 ] - [ 0.0006003800000000, -0.0002839500000000, -0.0002959200000000 ] - [ 0.0006337900000000, 0.0000496200000000, -0.0005460800000000 ] - [ 0.0041457900000000, 0.0232481100000000, 0.0004027900000000 ] - [ 0.0000450600000000, -0.0004325900000000, -0.0000583700000000 ] - [ -0.0001207600000000, -0.0002472700000000, -0.0001708700000000 ] - [ 0.0001316900000000, -0.0002498700000000, 0.0004154300000000 ] - [ -0.0003592000000000, -0.0007288900000000, 0.0003228100000000 ] - [ 0.0004342600000000, -0.0001091400000000, -0.0001890800000000 ] - [ 0.0001945700000000, 0.0007324100000000, 0.0000111500000000 ] - [ 0.0001082200000000, -0.0003714000000000, -0.0000460500000000 ] - [ 0.0037698800000000, 0.0007598500000000, 0.0012840000000000 ] - [ 0.0008146900000000, -0.0005797400000000, 0.0000938300000000 ] - [ -0.0008788800000000, -0.0004152800000000, -0.0001670600000000 ] - [ -0.0008955400000000, -0.0001197100000000, -0.0002440600000000 ] - [ -0.0008474400000000, 0.0001047700000000, -0.0003569400000000 ] - [ -0.0009494000000000, -0.0002499000000000, -0.0002572600000000 ] - [ 0.0009330400000000, 0.0006470000000000, -0.0000625100000000 ] - [ 0.0008428000000000, -0.0001841200000000, 0.0003187900000000 ] - [ 0.0006011700000000, 0.0005233400000000, -0.0013561200000000 ] - [ -0.0001031000000000, -0.0007926200000000, -0.0001478100000000 ] - [ -0.0000509000000000, -0.0009166400000000, -0.0000215100000000 ] - [ -0.0002606200000000, -0.0003071600000000, 0.0002707200000000 ] - [ -0.0000431900000000, 0.0002988300000000, 0.0003880600000000 ] - [ -0.0001364400000000, 0.0001365900000000, 0.0001762900000000 ] - [ -0.0021237500000000, 0.0024670800000000, -0.0039203600000000 ] - [ 0.0001648500000000, -0.0000765800000000, -0.0002441900000000 ] - [ -0.0038229700000000, -0.0023150500000000, 0.0042821700000000 ] - [ -0.0006324400000000, -0.0001727200000000, 0.0004697300000000 ] - [ 0.0006229600000000, -0.0000160200000000, -0.0004344900000000 ] - [ 0.0007623700000000, 0.0005497900000000, -0.0001208100000000 ] - [ -0.0055811100000000, -0.0042373500000000, 0.0004070900000000 ] - [ 0.0007814100000000, -0.0009436200000000, -0.0002348700000000 ] - [ -0.0018931500000000, -0.0003426000000000, 0.0030428000000000 ] - [ -0.0004856100000000, -0.0006870200000000, 0.0002540800000000 ] - [ -0.0000593900000000, 0.0007647900000000, 0.0005695400000000 ] - [ -0.0001104100000000, 0.0004519700000000, 0.0004453100000000 ] - [ 0.0012996400000000, 0.0017142900000000, -0.0013507700000000 ] - [ 0.0001738100000000, 0.0002426300000000, -0.0003543700000000 ] - [ -0.0000245600000000, -0.0002010100000000, -0.0031420200000000 ] - [ 0.0000630200000000, -0.0012056700000000, -0.0003398400000000 ] - [ -0.0000841500000000, -0.0014269000000000, 0.0005275700000000 ] - [ 0.0017811800000000, -0.0069920700000000, -0.0002230600000000 ]- atom: 73 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0004422300000000, 0.0012871300000000, 0.0018031500000000 ] - [ -0.0001197600000000, 0.0001799600000000, 0.0000482900000000 ] - [ -0.0003088600000000, 0.0012593400000000, -0.0015146300000000 ] - [ 0.0000104500000000, 0.0004314000000000, -0.0000734900000000 ] - [ -0.0035732900000000, -0.0018679000000000, 0.0041125400000000 ] - [ 0.0000527200000000, -0.0004475500000000, -0.0000036300000000 ] - [ 0.0000511300000000, -0.0005420200000000, -0.0001667800000000 ] - [ 0.0000924500000000, -0.0000341600000000, -0.0008954200000000 ] - [ 0.0006906800000000, -0.0003199600000000, -0.0018775000000000 ] - [ -0.0002040200000000, -0.0004760800000000, -0.0000741300000000 ] - [ 0.0006316200000000, -0.0001807600000000, -0.0017105800000000 ] - [ 0.0002260100000000, -0.0002919100000000, -0.0001295200000000 ] - [ -0.0019511900000000, -0.0015482200000000, 0.0004957600000000 ] - [ 0.0001491900000000, 0.0004369500000000, 0.0000032700000000 ] - [ -0.0002951100000000, 0.0000701700000000, 0.0001733500000000 ] - [ -0.0006775800000000, 0.0024875200000000, 0.0007835000000000 ] - [ -0.0001236000000000, -0.0010942400000000, -0.0014883700000000 ] - [ -0.0001721600000000, -0.0000644500000000, -0.0003670500000000 ] - [ 0.0001016700000000, -0.0000778000000000, 0.0004253300000000 ] - [ 0.0005184200000000, -0.0004969200000000, 0.0019863600000000 ] - [ -0.0004064500000000, -0.0006359700000000, -0.0004763000000000 ] - [ 0.0001141500000000, 0.0002177700000000, 0.0002281800000000 ] - [ -0.0003387300000000, 0.0021793900000000, 0.0025265500000000 ] - [ -0.0000856200000000, 0.0002010800000000, -0.0002507000000000 ] - [ 0.0010157000000000, -0.0003405500000000, 0.0056793600000000 ] - [ -0.0003265800000000, 0.0002887900000000, 0.0001946000000000 ] - [ 0.0002550900000000, 0.0002518600000000, -0.0003155900000000 ] - [ 0.0002337100000000, 0.0003439000000000, -0.0004126400000000 ] - [ 0.0004310300000000, -0.0004569100000000, -0.0002576100000000 ] - [ 0.0004584300000000, -0.0003125300000000, -0.0000823600000000 ] - [ 0.0007330900000000, 0.0002079200000000, -0.0006400000000000 ] - [ -0.0002480900000000, -0.0003813600000000, 0.0001498000000000 ] - [ 0.0019382300000000, -0.0000568100000000, 0.0019285800000000 ] - [ 0.0001547600000000, 0.0003146400000000, 0.0000122800000000 ] - [ -0.0001886500000000, 0.0001930600000000, 0.0000552500000000 ] - [ -0.0004346000000000, 0.0007760800000000, -0.0000554400000000 ] - [ -0.0002678300000000, 0.0001547600000000, 0.0000206800000000 ] - [ -0.0001637300000000, -0.0002628000000000, 0.0001575100000000 ] - [ 0.0005373800000000, -0.0006647800000000, -0.0018166500000000 ] - [ 0.0001248900000000, -0.0002094000000000, -0.0000814300000000 ] - [ -0.0000751200000000, 0.0005009700000000, -0.0000530600000000 ] - [ 0.0000918900000000, 0.0002927800000000, -0.0000335600000000 ] - [ -0.0006367000000000, 0.0001035800000000, -0.0001109900000000 ] - [ -0.0001299300000000, 0.0003330000000000, -0.0001295300000000 ] - [ 0.0001464900000000, -0.0001750700000000, -0.0003502700000000 ] - [ -0.0001522900000000, -0.0002576800000000, -0.0001112900000000 ] - [ 0.0004287200000000, -0.0004001200000000, 0.0002647000000000 ] - [ 0.0003445100000000, 0.0005839300000000, -0.0001658600000000 ] - [ 0.0000945800000000, 0.0001882700000000, 0.0002514300000000 ] - [ -0.0000817300000000, 0.0002038300000000, 0.0000711200000000 ] - [ 0.0000677900000000, 0.0001623500000000, -0.0000134500000000 ] - [ -0.0000731700000000, 0.0004235100000000, -0.0000908600000000 ] - [ 0.0001303100000000, -0.0000091400000000, -0.0002006200000000 ] - [ 0.0000725000000000, -0.0002445500000000, -0.0000353400000000 ] - [ -0.0013029700000000, -0.0021815000000000, -0.0001891300000000 ] - [ -0.0000810900000000, -0.0001118300000000, 0.0000017900000000 ] - [ 0.0002385100000000, 0.0000673800000000, -0.0001547200000000 ] - [ 0.0001185100000000, 0.0003640500000000, -0.0001558500000000 ] - [ 0.0006426500000000, -0.0000683000000000, 0.0006378500000000 ] - [ 0.0000118300000000, 0.0001584400000000, 0.0001862600000000 ] - [ -0.0000155200000000, -0.0003660900000000, -0.0000676300000000 ] - [ -0.0000185900000000, -0.0001901300000000, 0.0001317300000000 ] - [ -0.0001157700000000, -0.0000359200000000, -0.0001380400000000 ] - [ -0.0001475600000000, -0.0003473300000000, 0.0000330200000000 ] - [ 0.0003692200000000, 0.0020690700000000, -0.0007179800000000 ] - [ 0.0006909800000000, -0.0001813900000000, -0.0005222100000000 ] - [ 0.0014529300000000, -0.0011607500000000, 0.0011805300000000 ] - [ -0.0004749400000000, -0.0000575200000000, 0.0003230600000000 ] - [ -0.0005352100000000, 0.0000858600000000, 0.0000558700000000 ] - [ -0.0005355600000000, 0.0000859400000000, 0.0003571800000000 ] - [ 0.0004910300000000, -0.0000994600000000, -0.0002181100000000 ] - [ 0.0002563600000000, 0.0003903300000000, 0.0001631500000000 ] - [ 0.0045075200000000, 0.0009108100000000, -0.0188912000000000 ] - [ 0.0001062700000000, 0.0000119300000000, -0.0000881200000000 ] - [ -0.0000522700000000, 0.0002940200000000, 0.0001375800000000 ] - [ 0.0000810400000000, -0.0001814900000000, 0.0001830400000000 ] - [ -0.0006592000000000, -0.0003643800000000, -0.0003604500000000 ] - [ -0.0001224400000000, 0.0003805600000000, 0.0000155300000000 ] - [ -0.0001860700000000, 0.0000067400000000, 0.0007575900000000 ] - [ 0.0000656300000000, -0.0000205500000000, -0.0000093700000000 ] - [ 0.0048112500000000, -0.0009569900000000, -0.0025851100000000 ] - [ 0.0009020600000000, -0.0001800200000000, 0.0001764700000000 ] - [ -0.0007963700000000, -0.0001912200000000, -0.0001444400000000 ] - [ -0.0007198600000000, -0.0001840600000000, 0.0002042600000000 ] - [ -0.0008546100000000, 0.0001911100000000, -0.0007341800000000 ] - [ -0.0009679000000000, -0.0000921400000000, -0.0003319200000000 ] - [ 0.0006631800000000, -0.0000180100000000, 0.0008224000000000 ] - [ 0.0008343000000000, 0.0001689500000000, 0.0002789200000000 ] - [ -0.0014192200000000, -0.0002881000000000, 0.0019594600000000 ] - [ 0.0000625700000000, -0.0003511000000000, -0.0002270700000000 ] - [ -0.0000917600000000, -0.0004040300000000, 0.0000468300000000 ] - [ -0.0002710600000000, -0.0004440800000000, -0.0003253000000000 ] - [ 0.0000997000000000, 0.0004028700000000, 0.0006133500000000 ] - [ -0.0000376000000000, 0.0003084500000000, 0.0003470900000000 ] - [ 0.0018474700000000, 0.0003613200000000, 0.0044008300000000 ] - [ 0.0000605900000000, 0.0003049800000000, -0.0002471800000000 ] - [ -0.0050480100000000, -0.0050444200000000, 0.0042158900000000 ] - [ -0.0005630000000000, 0.0003020000000000, 0.0003680700000000 ] - [ 0.0005542900000000, 0.0003193300000000, -0.0003107200000000 ] - [ 0.0005912600000000, 0.0002352400000000, 0.0003607400000000 ] - [ 0.0019091400000000, -0.0018255900000000, -0.0054862000000000 ] - [ 0.0005243800000000, -0.0001878000000000, -0.0005337800000000 ] - [ -0.0014455900000000, -0.0013798300000000, 0.0025757500000000 ] - [ -0.0006274200000000, -0.0001907700000000, 0.0005026700000000 ] - [ -0.0003324400000000, 0.0010851200000000, 0.0010766300000000 ] - [ -0.0001399400000000, 0.0008279200000000, 0.0005824500000000 ] - [ -0.0030768800000000, 0.0056503000000000, 0.0019153800000000 ] - [ 0.0001482100000000, 0.0007023400000000, -0.0003814400000000 ] - [ 0.0005621600000000, -0.0001885400000000, 0.0038807300000000 ] - [ 0.0001153300000000, -0.0008005700000000, -0.0003594800000000 ] - [ 0.0000018400000000, -0.0006644500000000, 0.0000307100000000 ] - [ -0.0005018800000000, 0.0008490100000000, -0.0027301000000000 ]- atom: 73 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0003613300000000, -0.0003921100000000, -0.0017381400000000 ] - [ 0.0000412400000000, 0.0007286600000000, 0.0000051600000000 ] - [ 0.0003956800000000, -0.0003646000000000, 0.0014671700000000 ] - [ 0.0000686000000000, 0.0004711000000000, 0.0000196300000000 ] - [ 0.0034341400000000, 0.0008977500000000, -0.0040788800000000 ] - [ 0.0000259500000000, -0.0004551200000000, -0.0000494400000000 ] - [ -0.0001297600000000, -0.0003586100000000, 0.0002186900000000 ] - [ -0.0001715000000000, -0.0008723200000000, 0.0009512200000000 ] - [ -0.0010695200000000, -0.0004165200000000, 0.0019952500000000 ] - [ -0.0001774600000000, -0.0002571500000000, 0.0001996800000000 ] - [ -0.0002503900000000, -0.0005489700000000, 0.0015832700000000 ] - [ 0.0001550200000000, -0.0004409200000000, 0.0000046000000000 ] - [ 0.0022928200000000, 0.0022394200000000, -0.0006412400000000 ] - [ 0.0002316700000000, 0.0002960900000000, -0.0001288800000000 ] - [ -0.0000862200000000, 0.0006619300000000, -0.0000491200000000 ] - [ 0.0002955100000000, -0.0017378300000000, -0.0006685600000000 ] - [ -0.0001294000000000, 0.0008093800000000, 0.0008369500000000 ] - [ -0.0000792300000000, -0.0002286000000000, -0.0002878600000000 ] - [ 0.0001496800000000, -0.0002149400000000, 0.0002288300000000 ] - [ -0.0002735200000000, 0.0002082500000000, -0.0013263900000000 ] - [ 0.0006627200000000, 0.0009348500000000, 0.0011324500000000 ] - [ 0.0001369700000000, 0.0000746800000000, 0.0004250900000000 ] - [ 0.0000924200000000, -0.0017614500000000, -0.0031033200000000 ] - [ -0.0001656700000000, 0.0000914300000000, -0.0004028400000000 ] - [ -0.0014947200000000, 0.0008995600000000, -0.0051013400000000 ] - [ -0.0002657300000000, 0.0003816600000000, 0.0001757500000000 ] - [ 0.0003379800000000, 0.0004189600000000, -0.0000557700000000 ] - [ 0.0003602600000000, 0.0003247700000000, 0.0000416400000000 ] - [ 0.0001565300000000, -0.0002178700000000, -0.0001144500000000 ] - [ 0.0001340500000000, -0.0003579100000000, -0.0002888700000000 ] - [ -0.0013348400000000, -0.0008856300000000, 0.0010114500000000 ] - [ -0.0003448200000000, -0.0002887100000000, 0.0002205300000000 ] - [ -0.0016062200000000, 0.0005583700000000, -0.0019940500000000 ] - [ 0.0001611200000000, 0.0001960100000000, -0.0000736600000000 ] - [ -0.0001269300000000, 0.0003172700000000, 0.0000051600000000 ] - [ 0.0001187600000000, -0.0002665100000000, 0.0001150000000000 ] - [ -0.0000465100000000, -0.0006673300000000, 0.0000421600000000 ] - [ -0.0001513600000000, -0.0002473400000000, -0.0000962000000000 ] - [ -0.0002183300000000, 0.0001540200000000, 0.0017528400000000 ] - [ 0.0001902900000000, -0.0003006300000000, 0.0000198700000000 ] - [ 0.0003524300000000, 0.0000887700000000, 0.0002997000000000 ] - [ 0.0001850400000000, 0.0002964400000000, 0.0002809300000000 ] - [ 0.0003629300000000, 0.0004922900000000, -0.0001276100000000 ] - [ -0.0001471800000000, 0.0002569600000000, -0.0001170500000000 ] - [ -0.0004285400000000, -0.0004153100000000, 0.0001011300000000 ] - [ -0.0001246500000000, -0.0003321000000000, -0.0001356000000000 ] - [ -0.0001508700000000, -0.0001906600000000, -0.0000189100000000 ] - [ -0.0000655300000000, -0.0011693100000000, 0.0004127100000000 ] - [ -0.0002444800000000, 0.0002087600000000, -0.0001906100000000 ] - [ -0.0000714500000000, 0.0001919000000000, -0.0000046500000000 ] - [ 0.0000853700000000, 0.0002332700000000, -0.0000540100000000 ] - [ 0.0002260200000000, -0.0000271900000000, 0.0000227100000000 ] - [ 0.0000251100000000, -0.0003871200000000, 0.0001358300000000 ] - [ 0.0000806900000000, -0.0001511000000000, -0.0000317600000000 ] - [ 0.0011467800000000, 0.0017808100000000, 0.0002659400000000 ] - [ -0.0000721700000000, -0.0002839000000000, 0.0000651600000000 ] - [ -0.0002497000000000, 0.0002653100000000, -0.0001565900000000 ] - [ -0.0001324200000000, -0.0000354000000000, -0.0001571400000000 ] - [ -0.0006304800000000, 0.0003983500000000, -0.0003281500000000 ] - [ 0.0000006700000000, 0.0001715700000000, 0.0001244400000000 ] - [ 0.0000326400000000, 0.0000330200000000, 0.0003833100000000 ] - [ 0.0000312300000000, -0.0001398200000000, 0.0001790200000000 ] - [ 0.0001031700000000, -0.0002945000000000, -0.0001719900000000 ] - [ 0.0001364700000000, 0.0000174200000000, -0.0003413600000000 ] - [ 0.0006376900000000, -0.0022147100000000, 0.0000514100000000 ] - [ 0.0003182600000000, 0.0000364000000000, -0.0001539600000000 ] - [ -0.0024744000000000, 0.0010206200000000, -0.0004955600000000 ] - [ -0.0005352900000000, -0.0000863100000000, 0.0003537900000000 ] - [ -0.0004737500000000, 0.0000604800000000, 0.0006102400000000 ] - [ -0.0004746200000000, 0.0000581100000000, 0.0003193800000000 ] - [ 0.0005199800000000, 0.0002419000000000, -0.0004593800000000 ] - [ 0.0007560900000000, -0.0002458600000000, -0.0008426800000000 ] - [ -0.0042079000000000, -0.0007851600000000, 0.0184394300000000 ] - [ 0.0000495800000000, 0.0000103100000000, -0.0000049700000000 ] - [ -0.0001034900000000, -0.0002710100000000, -0.0000433400000000 ] - [ -0.0002368000000000, 0.0002034500000000, -0.0000885600000000 ] - [ 0.0004990300000000, 0.0003402500000000, 0.0004488900000000 ] - [ -0.0000315900000000, -0.0004005400000000, 0.0000761200000000 ] - [ 0.0003437000000000, -0.0000287800000000, -0.0008527200000000 ] - [ 0.0000900600000000, -0.0000017300000000, -0.0000834600000000 ] - [ -0.0030814700000000, 0.0006083800000000, 0.0030407400000000 ] - [ 0.0008136700000000, -0.0001606600000000, 0.0002852400000000 ] - [ -0.0009195000000000, -0.0001496500000000, -0.0003179600000000 ] - [ -0.0009954700000000, -0.0001551100000000, -0.0006672400000000 ] - [ -0.0008633900000000, 0.0001518300000000, 0.0002712000000000 ] - [ -0.0007477900000000, 0.0004351500000000, -0.0001296600000000 ] - [ 0.0010528700000000, 0.0003600400000000, -0.0003593900000000 ] - [ 0.0008815600000000, 0.0001717100000000, 0.0001836400000000 ] - [ 0.0015563000000000, -0.0003822500000000, -0.0024302400000000 ] - [ 0.0000542600000000, -0.0003165300000000, -0.0002280300000000 ] - [ -0.0000252000000000, -0.0002619000000000, 0.0004085200000000 ] - [ 0.0001529100000000, -0.0002232900000000, 0.0007803300000000 ] - [ -0.0002181200000000, 0.0002632700000000, -0.0001598800000000 ] - [ -0.0000794600000000, 0.0003593900000000, 0.0001074100000000 ] - [ -0.0017055400000000, 0.0003120200000000, -0.0048157000000000 ] - [ 0.0000565100000000, 0.0003625000000000, -0.0002088700000000 ] - [ 0.0038247300000000, 0.0055304500000000, -0.0033446000000000 ] - [ -0.0006143400000000, 0.0002599600000000, 0.0004549300000000 ] - [ 0.0006228800000000, 0.0002418300000000, -0.0005124400000000 ] - [ 0.0005831400000000, 0.0003265900000000, -0.0011835800000000 ] - [ -0.0007180900000000, 0.0012613200000000, 0.0046498600000000 ] - [ 0.0006538400000000, -0.0003749200000000, -0.0002893200000000 ] - [ 0.0002751500000000, 0.0008340400000000, -0.0017708100000000 ] - [ -0.0005499400000000, -0.0003706500000000, 0.0003204000000000 ] - [ 0.0001031700000000, 0.0004409300000000, -0.0003116900000000 ] - [ -0.0000892500000000, 0.0007004700000000, 0.0001804300000000 ] - [ 0.0032691900000000, -0.0040681800000000, -0.0026608000000000 ] - [ 0.0000815900000000, 0.0008258300000000, -0.0003820700000000 ] - [ -0.0003358000000000, -0.0013420900000000, -0.0046856600000000 ] - [ 0.0001146200000000, -0.0007278400000000, -0.0004036500000000 ] - [ -0.0002312400000000, -0.0008633400000000, 0.0007311800000000 ] - [ 0.0002700100000000, -0.0023782600000000, 0.0034842300000000 ]- atom: 81 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ -0.0012134400000000, -0.0003781200000000, -0.0006804200000000 ] - [ -0.0001375700000000, 0.0008056500000000, 0.0000193900000000 ] - [ -0.0004377300000000, 0.0004702700000000, -0.0004496000000000 ] - [ 0.0000068700000000, 0.0004937100000000, -0.0000426300000000 ] - [ -0.0026336600000000, -0.0005055400000000, 0.0005041600000000 ] - [ -0.0000207000000000, -0.0004375500000000, -0.0000416300000000 ] - [ -0.0001175400000000, -0.0004406400000000, 0.0001013100000000 ] - [ -0.0003116000000000, -0.0004404700000000, 0.0000745700000000 ] - [ -0.0015564400000000, -0.0004584500000000, 0.0001903800000000 ] - [ -0.0002666400000000, -0.0002791400000000, 0.0000253900000000 ] - [ -0.0004561300000000, -0.0007301900000000, -0.0001719500000000 ] - [ 0.0000605700000000, -0.0003275300000000, -0.0000613900000000 ] - [ -0.0006485900000000, -0.0003784500000000, -0.0008711000000000 ] - [ 0.0001721200000000, 0.0003911500000000, -0.0000951100000000 ] - [ -0.0002037500000000, 0.0002038400000000, -0.0001549900000000 ] - [ -0.0000521200000000, 0.0010965600000000, -0.0004721100000000 ] - [ -0.0001505100000000, 0.0002105000000000, -0.0004875800000000 ] - [ -0.0000813100000000, -0.0000932400000000, -0.0002858600000000 ] - [ -0.0001067200000000, -0.0000068400000000, 0.0001500600000000 ] - [ -0.0004199300000000, -0.0005954000000000, 0.0003023500000000 ] - [ -0.0002872400000000, 0.0002199400000000, -0.0005311700000000 ] - [ 0.0000212600000000, 0.0001403100000000, 0.0002781000000000 ] - [ -0.0017776700000000, 0.0011783900000000, -0.0012879300000000 ] - [ -0.0004026900000000, -0.0003452700000000, -0.0004253200000000 ] - [ 0.0742957800000000, 0.0179076100000000, -0.0120218600000000 ] - [ -0.0002393200000000, 0.0003010000000000, 0.0001232600000000 ] - [ 0.0004562700000000, 0.0009093400000000, -0.0004665500000000 ] - [ 0.0004265900000000, 0.0001597000000000, -0.0008475800000000 ] - [ -0.0013915500000000, -0.0000166800000000, 0.0002218300000000 ] - [ 0.0002349900000000, -0.0004048600000000, -0.0001816400000000 ] - [ -0.0002256500000000, -0.0004265800000000, 0.0003590500000000 ] - [ -0.0002767300000000, -0.0003082000000000, 0.0002459200000000 ] - [ 0.0096835000000000, 0.0011621600000000, 0.0005661400000000 ] - [ 0.0002120800000000, 0.0002653100000000, -0.0000271800000000 ] - [ -0.0001490300000000, 0.0003013600000000, 0.0003160100000000 ] - [ -0.0002382900000000, 0.0002169300000000, 0.0001779400000000 ] - [ 0.0019650100000000, 0.0015586100000000, 0.0012225000000000 ] - [ -0.0000521400000000, -0.0003869600000000, 0.0000780800000000 ] - [ 0.0001937200000000, -0.0005168100000000, 0.0022966100000000 ] - [ 0.0001949700000000, -0.0002943800000000, 0.0001404900000000 ] - [ 0.0011597700000000, -0.0004320600000000, 0.0008682000000000 ] - [ 0.0002361100000000, 0.0003890400000000, 0.0002197700000000 ] - [ 0.0171713400000000, 0.0237916600000000, 0.0028900400000000 ] - [ 0.0000871200000000, 0.0003810000000000, -0.0001938500000000 ] - [ 0.0004374200000000, 0.0000060000000000, 0.0013396700000000 ] - [ -0.0001174600000000, -0.0002784600000000, -0.0000952700000000 ] - [ 0.0011783700000000, 0.0007477100000000, 0.0008299000000000 ] - [ 0.0001983000000000, -0.0004174000000000, 0.0003232000000000 ] - [ 0.0007227900000000, 0.0009773700000000, -0.0025144300000000 ] - [ -0.0000781000000000, 0.0001784500000000, 0.0000127300000000 ] - [ -0.0000894900000000, 0.0000544300000000, 0.0000598000000000 ] - [ -0.0022694100000000, 0.0004955100000000, 0.0022154000000000 ] - [ 0.0000545200000000, -0.0003829600000000, -0.0004151300000000 ] - [ 0.0000806300000000, -0.0002079900000000, -0.0000445800000000 ] - [ -0.0003880900000000, 0.0001527500000000, -0.0003240200000000 ] - [ -0.0001864600000000, -0.0001955300000000, -0.0000544000000000 ] - [ -0.0006544700000000, 0.0041807400000000, -0.0005455700000000 ] - [ -0.0002644000000000, -0.0001709000000000, -0.0002303800000000 ] - [ -0.0004281400000000, 0.0008795400000000, 0.0025967600000000 ] - [ -0.0000319500000000, 0.0001561100000000, 0.0001960000000000 ] - [ 0.0034376800000000, 0.0007140100000000, -0.0021239600000000 ] - [ -0.0000007600000000, -0.0002018200000000, 0.0001403600000000 ] - [ -0.0001740000000000, -0.0001455200000000, -0.0006330400000000 ] - [ -0.0000897800000000, -0.0001428000000000, -0.0002940900000000 ] - [ 0.0006613300000000, 0.0006528700000000, 0.0001005000000000 ] - [ 0.0004247500000000, -0.0001430500000000, -0.0002944000000000 ] - [ 0.0001810900000000, -0.0000452100000000, 0.0006697900000000 ] - [ -0.0004176100000000, -0.0001262200000000, 0.0003166700000000 ] - [ 0.0039076300000000, -0.0008355000000000, 0.0016897600000000 ] - [ -0.0004549100000000, 0.0000727400000000, 0.0003455800000000 ] - [ 0.0007103000000000, 0.0001795800000000, -0.0004598800000000 ] - [ 0.0011898300000000, -0.0004055600000000, -0.0006557000000000 ] - [ 0.0041769400000000, -0.0028766600000000, 0.0054935000000000 ] - [ 0.0000643400000000, 0.0000542000000000, -0.0000040000000000 ] - [ 0.0000467100000000, -0.0000261900000000, 0.0002319900000000 ] - [ -0.0000710400000000, -0.0000103500000000, 0.0001134400000000 ] - [ 0.0005280000000000, -0.0000244700000000, 0.0002590000000000 ] - [ 0.0001645900000000, 0.0000808000000000, 0.0000129000000000 ] - [ 0.0004845000000000, 0.0000666800000000, -0.0001178600000000 ] - [ 0.0001126700000000, -0.0000265400000000, -0.0000596100000000 ] - [ -0.1009734600000000, -0.0263033600000000, 0.0111923800000000 ] - [ 0.0007006100000000, -0.0001690000000000, 0.0002734300000000 ] - [ -0.0012770300000000, -0.0000994400000000, -0.0003343500000000 ] - [ -0.0012782900000000, -0.0003774600000000, -0.0002866700000000 ] - [ 0.0005526700000000, -0.0052353400000000, -0.0049096900000000 ] - [ -0.0008961000000000, 0.0001838800000000, -0.0002759200000000 ] - [ 0.0008116400000000, 0.0002585200000000, -0.0000652400000000 ] - [ 0.0008479300000000, 0.0001428500000000, 0.0001523100000000 ] - [ -0.0039365500000000, -0.0011954100000000, -0.0003568500000000 ] - [ 0.0000315600000000, -0.0003544500000000, -0.0002504400000000 ] - [ 0.0003544000000000, -0.0007820700000000, 0.0000099300000000 ] - [ -0.0000924800000000, -0.0001410800000000, 0.0000403700000000 ] - [ -0.0002747300000000, -0.0013605500000000, 0.0019677800000000 ] - [ -0.0000706400000000, 0.0004374600000000, 0.0003352900000000 ] - [ 0.0006764000000000, -0.0073404600000000, -0.0047204200000000 ] - [ -0.0000582000000000, 0.0005855300000000, -0.0003326700000000 ] - [ -0.0050035900000000, -0.0050904900000000, -0.0036036500000000 ] - [ -0.0005238400000000, 0.0002864500000000, 0.0004646100000000 ] - [ 0.0007376400000000, 0.0001568700000000, -0.0003581900000000 ] - [ 0.0009765100000000, 0.0003628300000000, -0.0001481100000000 ] - [ 0.0015266400000000, -0.0000955400000000, -0.0006426700000000 ] - [ 0.0006722700000000, -0.0003113800000000, -0.0003895300000000 ] - [ -0.0007495100000000, -0.0003185500000000, 0.0006760000000000 ] - [ -0.0006015500000000, -0.0002773200000000, 0.0004585300000000 ] - [ 0.0000736700000000, 0.0007081000000000, 0.0006378800000000 ] - [ -0.0000719600000000, 0.0006442700000000, 0.0003411500000000 ] - [ 0.0008680900000000, 0.0008168800000000, -0.0004514100000000 ] - [ 0.0002487100000000, 0.0007678400000000, -0.0003534800000000 ] - [ 0.0003485300000000, -0.0007457100000000, 0.0003757400000000 ] - [ 0.0001428100000000, -0.0007956600000000, -0.0003682600000000 ] - [ 0.0001596600000000, -0.0005449100000000, 0.0006538200000000 ] - [ 0.0003085000000000, -0.0011503800000000, 0.0006136000000000 ]- atom: 81 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ 0.0011357800000000, 0.0012905900000000, 0.0007441500000000 ] - [ 0.0000587600000000, 0.0000961000000000, 0.0000342500000000 ] - [ 0.0005191600000000, 0.0004333300000000, 0.0003976500000000 ] - [ 0.0000727700000000, 0.0004083900000000, -0.0000107600000000 ] - [ 0.0027183700000000, -0.0004008900000000, -0.0005503500000000 ] - [ 0.0001003500000000, -0.0004663000000000, -0.0000111900000000 ] - [ 0.0000398900000000, -0.0004606600000000, -0.0000490100000000 ] - [ 0.0002322900000000, -0.0004626900000000, -0.0000211500000000 ] - [ 0.0011710100000000, -0.0002688200000000, -0.0000809600000000 ] - [ -0.0001140300000000, -0.0004539800000000, 0.0000995600000000 ] - [ 0.0008333700000000, -0.0000037500000000, 0.0000462600000000 ] - [ 0.0003215000000000, -0.0004059400000000, -0.0000634300000000 ] - [ 0.0010330000000000, 0.0011182100000000, 0.0007484900000000 ] - [ 0.0002100200000000, 0.0003414600000000, -0.0000297700000000 ] - [ -0.0001765200000000, 0.0005275500000000, 0.0002795500000000 ] - [ -0.0003305100000000, -0.0003693000000000, 0.0005970400000000 ] - [ -0.0000998600000000, -0.0005013000000000, -0.0001701900000000 ] - [ -0.0001693800000000, -0.0001997700000000, -0.0003681500000000 ] - [ 0.0003593300000000, -0.0002863800000000, 0.0005051100000000 ] - [ 0.0006721100000000, 0.0003043000000000, 0.0003523800000000 ] - [ 0.0005435300000000, 0.0000762000000000, 0.0011854000000000 ] - [ 0.0002297100000000, 0.0001513100000000, 0.0003750200000000 ] - [ 0.0015242900000000, -0.0008755200000000, 0.0006280100000000 ] - [ 0.0001543000000000, 0.0006382100000000, -0.0002266800000000 ] - [ -0.0788419900000000, -0.0176717100000000, 0.0135671700000000 ] - [ -0.0003526300000000, 0.0003689900000000, 0.0002481400000000 ] - [ 0.0001370200000000, -0.0002414900000000, 0.0000967100000000 ] - [ 0.0001680800000000, 0.0005120500000000, 0.0004713000000000 ] - [ 0.0019924000000000, -0.0006530000000000, -0.0005947400000000 ] - [ 0.0003582000000000, -0.0002658200000000, -0.0001884300000000 ] - [ -0.0003686100000000, -0.0002460700000000, 0.0000102100000000 ] - [ -0.0003149300000000, -0.0003625600000000, 0.0001250100000000 ] - [ -0.0094064700000000, -0.0007386100000000, -0.0001836700000000 ] - [ 0.0001045800000000, 0.0002446800000000, -0.0000336300000000 ] - [ -0.0001656500000000, 0.0002088900000000, -0.0002553900000000 ] - [ -0.0000756300000000, 0.0002933300000000, -0.0001161100000000 ] - [ -0.0022212100000000, -0.0021444200000000, -0.0011103000000000 ] - [ -0.0002615700000000, -0.0001279700000000, -0.0000160900000000 ] - [ 0.0001295800000000, 0.0000199200000000, -0.0023492900000000 ] - [ 0.0001213800000000, -0.0002163500000000, -0.0002019600000000 ] - [ -0.0008857800000000, 0.0010259800000000, -0.0006228900000000 ] - [ 0.0000431800000000, 0.0002011700000000, 0.0000263400000000 ] - [ -0.0175762300000000, -0.0229918200000000, -0.0029741200000000 ] - [ -0.0003638900000000, 0.0002082300000000, -0.0000522100000000 ] - [ -0.0007139800000000, -0.0005950300000000, -0.0015859000000000 ] - [ -0.0001585600000000, -0.0003120000000000, -0.0001510800000000 ] - [ -0.0009039000000000, -0.0013415300000000, -0.0005877600000000 ] - [ 0.0000840700000000, -0.0001689400000000, -0.0000763900000000 ] - [ -0.0008816000000000, -0.0005894600000000, 0.0026146800000000 ] - [ -0.0000745000000000, 0.0002176800000000, 0.0000544600000000 ] - [ 0.0002434000000000, 0.0003431300000000, -0.0001267400000000 ] - [ 0.0024414300000000, 0.0000094900000000, -0.0022936500000000 ] - [ 0.0001004000000000, -0.0000150800000000, 0.0003503600000000 ] - [ 0.0000733300000000, -0.0001875900000000, -0.0000223200000000 ] - [ 0.0002360800000000, -0.0005618500000000, 0.0003983000000000 ] - [ 0.0000341300000000, -0.0002009200000000, 0.0001218900000000 ] - [ 0.0006524600000000, -0.0038754200000000, 0.0002361700000000 ] - [ 0.0002517800000000, 0.0005002900000000, -0.0000807300000000 ] - [ 0.0004374800000000, -0.0005544000000000, -0.0022869300000000 ] - [ 0.0000455200000000, 0.0001743100000000, 0.0001153000000000 ] - [ -0.0034341800000000, -0.0010456100000000, 0.0024141200000000 ] - [ 0.0000143800000000, -0.0001275600000000, 0.0001708100000000 ] - [ 0.0001631000000000, -0.0001846400000000, 0.0003228200000000 ] - [ 0.0000780500000000, -0.0001877000000000, -0.0000155300000000 ] - [ 0.0003633700000000, -0.0007846600000000, -0.0007762100000000 ] - [ 0.0005869400000000, -0.0000008600000000, -0.0003823700000000 ] - [ -0.0011933500000000, -0.0000985100000000, 0.0000058800000000 ] - [ -0.0005920700000000, -0.0000168600000000, 0.0003607600000000 ] - [ -0.0048832200000000, 0.0009858000000000, -0.0009957700000000 ] - [ -0.0005539900000000, 0.0000717400000000, 0.0003312100000000 ] - [ 0.0003010900000000, -0.0000364200000000, -0.0002172100000000 ] - [ -0.0001773500000000, 0.0005477000000000, -0.0000219200000000 ] - [ -0.0040520600000000, 0.0029418300000000, -0.0056755200000000 ] - [ 0.0000923700000000, -0.0000311700000000, -0.0000886900000000 ] - [ -0.0002016900000000, 0.0000488900000000, -0.0001384700000000 ] - [ -0.0000835100000000, 0.0000325900000000, -0.0000200100000000 ] - [ -0.0006896900000000, 0.0000005500000000, -0.0001705100000000 ] - [ -0.0003181600000000, -0.0001025100000000, 0.0000799500000000 ] - [ -0.0003262600000000, -0.0000874000000000, 0.0000249600000000 ] - [ 0.0000437700000000, 0.0000048000000000, -0.0000326800000000 ] - [ 0.1066354100000000, 0.0260725800000000, -0.0124655100000000 ] - [ 0.0010161900000000, -0.0001714200000000, 0.0001884700000000 ] - [ -0.0004366200000000, -0.0002414900000000, -0.0001285500000000 ] - [ -0.0004384300000000, 0.0000350500000000, -0.0001758200000000 ] - [ -0.0023006600000000, 0.0055685400000000, 0.0044194800000000 ] - [ -0.0008194800000000, 0.0001581600000000, -0.0001879500000000 ] - [ 0.0009048200000000, 0.0000806500000000, 0.0005260500000000 ] - [ 0.0008688500000000, 0.0001984700000000, 0.0003103200000000 ] - [ 0.0040619900000000, 0.0005749300000000, -0.0002142000000000 ] - [ 0.0000865300000000, -0.0003125500000000, -0.0002046300000000 ] - [ -0.0004717700000000, 0.0001180900000000, 0.0004471700000000 ] - [ -0.0000240500000000, -0.0005266100000000, 0.0004149200000000 ] - [ 0.0001560500000000, 0.0020211100000000, -0.0015191800000000 ] - [ -0.0000455200000000, 0.0002310600000000, 0.0001223700000000 ] - [ -0.0005297000000000, 0.0080575200000000, 0.0042900400000000 ] - [ 0.0001764300000000, 0.0000815500000000, -0.0001222100000000 ] - [ 0.0038169600000000, 0.0056901600000000, 0.0045186300000000 ] - [ -0.0006527500000000, 0.0002760400000000, 0.0003585600000000 ] - [ 0.0004399500000000, 0.0004053000000000, -0.0004646300000000 ] - [ 0.0002027200000000, 0.0001980300000000, -0.0006726300000000 ] - [ -0.0003492800000000, -0.0004669500000000, -0.0001789100000000 ] - [ 0.0005064500000000, -0.0002500700000000, -0.0004336900000000 ] - [ -0.0004246100000000, -0.0002419800000000, 0.0001452700000000 ] - [ -0.0005753300000000, -0.0002836800000000, 0.0003651100000000 ] - [ -0.0003021100000000, 0.0008171900000000, 0.0001266500000000 ] - [ -0.0001560300000000, 0.0008842100000000, 0.0004225500000000 ] - [ -0.0006357000000000, 0.0007107200000000, -0.0003132300000000 ] - [ -0.0000180800000000, 0.0007610300000000, -0.0004097400000000 ] - [ -0.0001189700000000, -0.0007834300000000, -0.0011407500000000 ] - [ 0.0000886500000000, -0.0007318800000000, -0.0003942200000000 ] - [ -0.0003886200000000, -0.0009799000000000, 0.0001077900000000 ] - [ -0.0005374500000000, -0.0003768900000000, 0.0001498500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008393200000000, 0.0003800200000000, -0.0003137200000000 ] - [ 0.0000215200000000, -0.0000994500000000, 0.0000918800000000 ] - [ -0.0006347200000000, 0.0009930300000000, -0.0004269100000000 ] - [ 0.0000487300000000, -0.0001039800000000, -0.0000415700000000 ] - [ -0.0003944600000000, 0.0007679500000000, -0.0002490800000000 ] - [ 0.0000522000000000, -0.0010868100000000, 0.0000008200000000 ] - [ -0.0001690000000000, -0.0002941800000000, 0.0000141700000000 ] - [ 0.0000781700000000, -0.0009045400000000, -0.0002831500000000 ] - [ -0.0005642800000000, -0.0001185100000000, 0.0007805100000000 ] - [ -0.0002167800000000, -0.0008141400000000, 0.0001086800000000 ] - [ -0.0003024300000000, -0.0000237200000000, -0.0000326300000000 ] - [ 0.0002827700000000, -0.0007433800000000, -0.0000202000000000 ] - [ 0.0002280300000000, 0.0012688800000000, -0.0004131100000000 ] - [ 0.0001489200000000, -0.0000169600000000, -0.0000336500000000 ] - [ -0.0002492800000000, -0.0000237700000000, -0.0002164900000000 ] - [ 0.0000730500000000, 0.0002368700000000, 0.0002540900000000 ] - [ 0.0003261700000000, 0.0008351900000000, -0.0007375500000000 ] - [ -0.0002419200000000, -0.0006252500000000, -0.0004582800000000 ] - [ 0.0002401800000000, -0.0005983900000000, 0.0005323000000000 ] - [ -0.0000416500000000, -0.0002062400000000, 0.0004243400000000 ] - [ 0.0007100900000000, 0.0017537900000000, 0.0008968200000000 ] - [ -0.0000237400000000, -0.0003467600000000, 0.0001647400000000 ] - [ 0.0009247800000000, -0.0011704600000000, 0.0014755000000000 ] - [ -0.0003107100000000, -0.0006753800000000, -0.0002974100000000 ] - [ 0.0014165700000000, 0.0068972100000000, 0.0001403700000000 ] - [ -0.0004181300000000, -0.0002727400000000, 0.0002429500000000 ] - [ 0.0003918300000000, -0.0004125000000000, 0.0001262500000000 ] - [ 0.0002172000000000, -0.0002117500000000, -0.0009371000000000 ] - [ 0.0023396200000000, 0.0001993200000000, -0.0010653300000000 ] - [ 0.0001931000000000, -0.0007560800000000, -0.0000607300000000 ] - [ -0.0000620400000000, 0.0002595900000000, 0.0004405000000000 ] - [ -0.0002258100000000, -0.0007757200000000, 0.0000408700000000 ] - [ 0.0009347600000000, 0.0085181600000000, -0.0010421900000000 ] - [ 0.0001442900000000, -0.0001447000000000, -0.0000620200000000 ] - [ -0.0001804500000000, 0.0000949500000000, -0.0001288300000000 ] - [ -0.0001633300000000, 0.0001719100000000, -0.0001492100000000 ] - [ 0.0009389100000000, 0.0012106700000000, -0.0012519500000000 ] - [ -0.0002110600000000, -0.0007269300000000, 0.0001022400000000 ] - [ -0.0002275800000000, -0.0006492100000000, -0.0022976900000000 ] - [ 0.0001338100000000, -0.0005621300000000, 0.0001030600000000 ] - [ -0.0002531300000000, 0.0005782800000000, 0.0014679700000000 ] - [ 0.0001760500000000, -0.0002842700000000, 0.0000276200000000 ] - [ 0.0293371700000000, 0.0741868800000000, 0.0149537900000000 ] - [ -0.0002654200000000, -0.0004173800000000, -0.0000574300000000 ] - [ -0.0000277400000000, 0.0007103400000000, -0.0001209300000000 ] - [ -0.0001201100000000, -0.0007869800000000, -0.0001493400000000 ] - [ -0.0005008300000000, -0.0018790200000000, -0.0009361800000000 ] - [ -0.0001618000000000, -0.0011973700000000, 0.0003793100000000 ] - [ 0.0002826200000000, -0.0006449500000000, -0.0005671800000000 ] - [ -0.0001248200000000, 0.0005290900000000, 0.0000419300000000 ] - [ 0.0001487000000000, 0.0006227000000000, -0.0001751600000000 ] - [ -0.0012825300000000, -0.0040648800000000, 0.0043573900000000 ] - [ 0.0000935500000000, -0.0008559500000000, 0.0001987800000000 ] - [ 0.0000344400000000, 0.0000813800000000, -0.0000132600000000 ] - [ -0.0002713500000000, 0.0013346800000000, -0.0016905100000000 ] - [ -0.0000106800000000, 0.0000625300000000, 0.0002193400000000 ] - [ 0.0013713400000000, 0.0034234200000000, -0.0011465200000000 ] - [ -0.0000065000000000, 0.0006405800000000, -0.0000986600000000 ] - [ 0.0014402200000000, 0.0002860700000000, 0.0043482700000000 ] - [ -0.0000471800000000, 0.0004682900000000, 0.0000388500000000 ] - [ 0.0002412000000000, -0.0013438900000000, -0.0006744700000000 ] - [ 0.0000394000000000, 0.0001423600000000, 0.0002120900000000 ] - [ 0.0002041400000000, -0.0002073300000000, 0.0003805700000000 ] - [ -0.0000259400000000, 0.0000908300000000, -0.0003391300000000 ] - [ 0.0022386800000000, 0.0009587000000000, 0.0006486400000000 ] - [ 0.0005021100000000, 0.0002920000000000, -0.0004053500000000 ] - [ -0.0004289600000000, -0.0001069700000000, 0.0006756900000000 ] - [ -0.0006300900000000, 0.0002937400000000, 0.0004554900000000 ] - [ 0.0010435300000000, -0.0020008400000000, 0.0007378000000000 ] - [ -0.0004411000000000, 0.0004731400000000, 0.0002616700000000 ] - [ 0.0006875600000000, 0.0002087500000000, -0.0005192200000000 ] - [ -0.0000844900000000, 0.0007334400000000, 0.0000379800000000 ] - [ -0.0006287100000000, -0.0009300000000000, -0.0011070100000000 ] - [ 0.0001264900000000, 0.0004221400000000, -0.0000403000000000 ] - [ -0.0001162800000000, -0.0000399600000000, 0.0000491700000000 ] - [ -0.0000657900000000, 0.0002567200000000, 0.0000725800000000 ] - [ -0.0006395600000000, 0.0000573200000000, -0.0001226600000000 ] - [ 0.0002095600000000, 0.0004117700000000, -0.0001363000000000 ] - [ -0.0001684500000000, -0.0004902100000000, 0.0000689500000000 ] - [ 0.0000570100000000, 0.0003451300000000, -0.0000519000000000 ] - [ -0.0264601300000000, -0.0947192300000000, -0.0207483500000000 ] - [ 0.0008593200000000, 0.0002782200000000, 0.0002729400000000 ] - [ -0.0006539000000000, 0.0001804300000000, -0.0006505000000000 ] - [ -0.0009280000000000, 0.0001793300000000, 0.0001230500000000 ] - [ -0.0061918200000000, 0.0056933000000000, 0.0062649100000000 ] - [ -0.0008452300000000, 0.0004960400000000, -0.0002744400000000 ] - [ 0.0007739900000000, 0.0000092500000000, 0.0006840000000000 ] - [ 0.0008856800000000, 0.0004740200000000, 0.0001837800000000 ] - [ -0.0005702000000000, -0.0038235300000000, -0.0035701200000000 ] - [ 0.0001780600000000, 0.0000462500000000, -0.0002126900000000 ] - [ -0.0005732800000000, 0.0004031600000000, 0.0006813100000000 ] - [ 0.0000639000000000, -0.0002081200000000, 0.0002278800000000 ] - [ -0.0011734700000000, 0.0014597300000000, -0.0028427400000000 ] - [ 0.0001111300000000, 0.0008453400000000, 0.0002865900000000 ] - [ -0.0063080800000000, 0.0046478900000000, 0.0036658500000000 ] - [ -0.0000464800000000, 0.0008844600000000, -0.0003641500000000 ] - [ 0.0039415300000000, -0.0010734500000000, -0.0004085800000000 ] - [ -0.0005014300000000, 0.0007141500000000, 0.0003484800000000 ] - [ 0.0004170400000000, 0.0005660900000000, -0.0004795900000000 ] - [ 0.0009716800000000, 0.0003765700000000, -0.0003672700000000 ] - [ 0.0005932800000000, -0.0007253900000000, 0.0000037300000000 ] - [ 0.0006604600000000, 0.0000769200000000, -0.0005053400000000 ] - [ -0.0007289900000000, -0.0004254300000000, 0.0003900600000000 ] - [ -0.0006309200000000, -0.0000010200000000, 0.0005245800000000 ] - [ -0.0002872300000000, 0.0002181600000000, 0.0003464400000000 ] - [ -0.0000712400000000, 0.0012942300000000, 0.0004811800000000 ] - [ 0.0000475100000000, 0.0003619700000000, -0.0006069000000000 ] - [ 0.0001029300000000, 0.0011963000000000, -0.0004332500000000 ] - [ 0.0000629300000000, -0.0017997800000000, -0.0001345000000000 ] - [ 0.0001724000000000, -0.0003203300000000, -0.0003372400000000 ] - [ 0.0000089400000000, -0.0002669500000000, 0.0005616600000000 ] - [ -0.0001806700000000, -0.0006227600000000, 0.0001856000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007576700000000, 0.0005198300000000, 0.0003720700000000 ] - [ -0.0001013600000000, 0.0010037500000000, -0.0000381200000000 ] - [ 0.0007119000000000, -0.0000871400000000, 0.0003703000000000 ] - [ 0.0000301300000000, 0.0010056300000000, -0.0000116900000000 ] - [ 0.0004713700000000, -0.0016744900000000, 0.0002024500000000 ] - [ 0.0000266800000000, 0.0001825000000000, -0.0000538900000000 ] - [ 0.0000906600000000, -0.0006097900000000, 0.0000383300000000 ] - [ -0.0001584400000000, 0.0000022200000000, 0.0003350900000000 ] - [ 0.0001800000000000, -0.0006144400000000, -0.0006611900000000 ] - [ -0.0001647900000000, 0.0000808300000000, 0.0000159000000000 ] - [ 0.0006750900000000, -0.0007038000000000, -0.0000928500000000 ] - [ 0.0000985100000000, 0.0000094400000000, -0.0001046200000000 ] - [ 0.0001494200000000, -0.0005392300000000, 0.0002832300000000 ] - [ 0.0002321500000000, 0.0007497000000000, -0.0000911600000000 ] - [ -0.0001319000000000, 0.0007543200000000, 0.0003409600000000 ] - [ -0.0004518600000000, 0.0005019000000000, -0.0001318000000000 ] - [ -0.0005794700000000, -0.0011252400000000, 0.0000823600000000 ] - [ -0.0000093300000000, 0.0003321700000000, -0.0001958100000000 ] - [ 0.0000107300000000, 0.0003048800000000, 0.0001206200000000 ] - [ 0.0002899100000000, -0.0000822700000000, 0.0002313700000000 ] - [ -0.0004589900000000, -0.0014621500000000, -0.0002426100000000 ] - [ 0.0002735800000000, 0.0006382800000000, 0.0004875700000000 ] - [ -0.0011835300000000, 0.0014674400000000, -0.0021267200000000 ] - [ 0.0000619900000000, 0.0009700700000000, -0.0003542200000000 ] - [ -0.0015996300000000, -0.0060308000000000, 0.0002080300000000 ] - [ -0.0001744600000000, 0.0009422600000000, 0.0001279900000000 ] - [ 0.0002012500000000, 0.0010824600000000, -0.0004963400000000 ] - [ 0.0003774100000000, 0.0008845700000000, 0.0005536600000000 ] - [ -0.0017536500000000, -0.0008727700000000, 0.0006904800000000 ] - [ 0.0003991300000000, 0.0000856800000000, -0.0003091400000000 ] - [ -0.0005311200000000, -0.0009305900000000, -0.0000663900000000 ] - [ -0.0003664700000000, 0.0001042800000000, 0.0003301500000000 ] - [ -0.0005767200000000, -0.0081436300000000, 0.0014438100000000 ] - [ 0.0001717600000000, 0.0006543500000000, 0.0000007600000000 ] - [ -0.0001345500000000, 0.0004145200000000, 0.0001910900000000 ] - [ -0.0001531900000000, 0.0003396200000000, 0.0002100800000000 ] - [ -0.0011198600000000, -0.0019085400000000, 0.0014221000000000 ] - [ -0.0001034900000000, 0.0002125000000000, -0.0000400100000000 ] - [ 0.0005371200000000, 0.0001394200000000, 0.0022398200000000 ] - [ 0.0001819900000000, 0.0000512200000000, -0.0001645300000000 ] - [ 0.0005303100000000, 0.0000070800000000, -0.0012237900000000 ] - [ 0.0001022700000000, 0.0008745600000000, 0.0002182700000000 ] - [ -0.0281710500000000, -0.0705828300000000, -0.0138824200000000 ] - [ -0.0000125100000000, 0.0010056800000000, -0.0001886500000000 ] - [ -0.0002488300000000, -0.0012981000000000, -0.0001281800000000 ] - [ -0.0001566900000000, 0.0001962400000000, -0.0000969600000000 ] - [ 0.0007812700000000, 0.0012922700000000, 0.0011818400000000 ] - [ 0.0004383600000000, 0.0006050100000000, -0.0001304400000000 ] - [ -0.0004307900000000, 0.0010444000000000, 0.0006261600000000 ] - [ -0.0000284500000000, -0.0001326600000000, 0.0000251400000000 ] - [ 0.0000048800000000, -0.0002229400000000, 0.0001080400000000 ] - [ 0.0014936400000000, 0.0045189700000000, -0.0043601700000000 ] - [ 0.0000596300000000, 0.0004607300000000, -0.0002665300000000 ] - [ 0.0001189000000000, -0.0004769800000000, -0.0000538600000000 ] - [ 0.0001164400000000, -0.0017204500000000, 0.0017409300000000 ] - [ -0.0001429300000000, -0.0004580400000000, -0.0001522400000000 ] - [ -0.0014171500000000, -0.0031292600000000, 0.0008474600000000 ] - [ -0.0000077200000000, -0.0003115000000000, -0.0002126100000000 ] - [ -0.0014161400000000, 0.0000461400000000, -0.0039958000000000 ] - [ 0.0000599400000000, -0.0001374300000000, 0.0002720300000000 ] - [ -0.0002468600000000, 0.0010055700000000, 0.0009803100000000 ] - [ -0.0000266000000000, -0.0004716900000000, 0.0000988500000000 ] - [ -0.0002174300000000, -0.0001215500000000, -0.0006926100000000 ] - [ 0.0000130400000000, -0.0004204900000000, 0.0000261900000000 ] - [ -0.0012185000000000, -0.0010892700000000, -0.0013269100000000 ] - [ 0.0005078300000000, -0.0004354600000000, -0.0002716000000000 ] - [ -0.0005800600000000, -0.0000386700000000, 0.0000054400000000 ] - [ -0.0003799000000000, -0.0004370000000000, 0.0002214800000000 ] - [ -0.0020459800000000, 0.0021373900000000, -0.0000595000000000 ] - [ -0.0005686000000000, -0.0003282300000000, 0.0004150500000000 ] - [ 0.0003222200000000, -0.0000640400000000, -0.0001571300000000 ] - [ 0.0010965500000000, -0.0005913300000000, -0.0007159800000000 ] - [ 0.0008138400000000, 0.0009259800000000, 0.0010370300000000 ] - [ 0.0000295400000000, -0.0003988100000000, -0.0000525900000000 ] - [ -0.0000387200000000, 0.0000632300000000, 0.0000451400000000 ] - [ -0.0000896900000000, -0.0002344700000000, 0.0000208400000000 ] - [ 0.0004796100000000, -0.0000788300000000, 0.0002165200000000 ] - [ -0.0003595700000000, -0.0004314900000000, 0.0002271800000000 ] - [ 0.0003252900000000, 0.0004670400000000, -0.0001623500000000 ] - [ 0.0000985800000000, -0.0003662800000000, -0.0000406700000000 ] - [ 0.0261595500000000, 0.0915272300000000, 0.0194368200000000 ] - [ 0.0008562900000000, -0.0006177300000000, 0.0001894800000000 ] - [ -0.0010619000000000, -0.0005209400000000, 0.0001878900000000 ] - [ -0.0007901800000000, -0.0005218400000000, -0.0005833500000000 ] - [ 0.0045379400000000, -0.0053923400000000, -0.0068330200000000 ] - [ -0.0008704800000000, -0.0001548600000000, -0.0001890200000000 ] - [ 0.0009461600000000, 0.0003299400000000, -0.0002190500000000 ] - [ 0.0008302700000000, -0.0001323600000000, 0.0002779700000000 ] - [ 0.0006872300000000, 0.0032129200000000, 0.0030073300000000 ] - [ -0.0000606100000000, -0.0007126700000000, -0.0002427500000000 ] - [ 0.0004571400000000, -0.0010716800000000, -0.0002260000000000 ] - [ -0.0001794500000000, -0.0004607500000000, 0.0002268300000000 ] - [ 0.0010690900000000, -0.0008071000000000, 0.0033163100000000 ] - [ -0.0002279300000000, -0.0001757800000000, 0.0001704200000000 ] - [ 0.0063569600000000, -0.0039817400000000, -0.0040965400000000 ] - [ 0.0001637400000000, -0.0002170900000000, -0.0000906100000000 ] - [ -0.0051954800000000, 0.0015807200000000, 0.0012062000000000 ] - [ -0.0006753100000000, -0.0001509000000000, 0.0004746100000000 ] - [ 0.0007602300000000, -0.0000037400000000, -0.0003433600000000 ] - [ 0.0002098300000000, 0.0001824700000000, -0.0004521400000000 ] - [ 0.0005876500000000, 0.0001674000000000, -0.0008279700000000 ] - [ 0.0005177800000000, -0.0006385200000000, -0.0003181400000000 ] - [ -0.0004504600000000, -0.0001371700000000, 0.0004341600000000 ] - [ -0.0005467800000000, -0.0005594100000000, 0.0002989000000000 ] - [ 0.0000582700000000, 0.0013097700000000, 0.0004184800000000 ] - [ -0.0001576600000000, 0.0002341600000000, 0.0002824900000000 ] - [ 0.0001861400000000, 0.0011609600000000, -0.0001611000000000 ] - [ 0.0001273300000000, 0.0003333900000000, -0.0003298100000000 ] - [ 0.0001676200000000, 0.0002703800000000, -0.0006249800000000 ] - [ 0.0000584200000000, -0.0012070100000000, -0.0004255000000000 ] - [ -0.0002388500000000, -0.0012584600000000, 0.0001992400000000 ] - [ -0.0000461800000000, -0.0009087400000000, 0.0005762000000000 ]- atom: 81 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0002738100000000, 0.0006390300000000, 0.0016238100000000 ] - [ 0.0000768200000000, 0.0001577300000000, 0.0001419800000000 ] - [ -0.0009822200000000, 0.0002937700000000, -0.0006973000000000 ] - [ 0.0000113900000000, 0.0002995700000000, -0.0001966700000000 ] - [ 0.0009531400000000, -0.0007206800000000, 0.0013210200000000 ] - [ 0.0000752200000000, -0.0006146300000000, 0.0000516700000000 ] - [ -0.0001029100000000, -0.0005439100000000, -0.0003141700000000 ] - [ 0.0000827100000000, -0.0006121600000000, -0.0004762200000000 ] - [ 0.0006165800000000, 0.0001411600000000, 0.0001428800000000 ] - [ -0.0001321200000000, -0.0005599800000000, 0.0001441900000000 ] - [ 0.0001433100000000, -0.0002991900000000, 0.0004775900000000 ] - [ 0.0002157300000000, -0.0004282900000000, 0.0000302400000000 ] - [ 0.0001665000000000, 0.0009405700000000, -0.0007714000000000 ] - [ 0.0001715200000000, 0.0002620100000000, -0.0000950500000000 ] - [ -0.0003983200000000, -0.0000716000000000, 0.0000656600000000 ] - [ -0.0004720500000000, 0.0003694500000000, 0.0001999500000000 ] - [ -0.0012279600000000, -0.0008460800000000, -0.0017365400000000 ] - [ -0.0002406500000000, -0.0002693400000000, -0.0004812300000000 ] - [ 0.0003031700000000, -0.0004070500000000, 0.0006528800000000 ] - [ 0.0005819700000000, 0.0004761500000000, 0.0004365200000000 ] - [ -0.0005312400000000, 0.0005755700000000, -0.0002513100000000 ] - [ 0.0001219900000000, 0.0000231600000000, 0.0002668800000000 ] - [ 0.0016873800000000, -0.0007513200000000, 0.0023367600000000 ] - [ 0.0002639200000000, 0.0003607400000000, 0.0000403300000000 ] - [ -0.0437985200000000, -0.0114274800000000, 0.0123455600000000 ] - [ -0.0003430100000000, 0.0002311300000000, 0.0003056000000000 ] - [ 0.0001231800000000, 0.0007034600000000, -0.0003728400000000 ] - [ 0.0001143200000000, -0.0003372500000000, 0.0000463200000000 ] - [ 0.0020159000000000, -0.0007554600000000, -0.0009014100000000 ] - [ 0.0003556200000000, -0.0003221200000000, -0.0001569400000000 ] - [ -0.0002347600000000, 0.0006505400000000, -0.0007139400000000 ] - [ -0.0002122300000000, -0.0005212100000000, 0.0000330500000000 ] - [ -0.0018495600000000, -0.0113658500000000, 0.0822488800000000 ] - [ 0.0001237700000000, 0.0002098800000000, 0.0000132400000000 ] - [ -0.0001033600000000, 0.0002253600000000, -0.0006272300000000 ] - [ -0.0000227900000000, 0.0002331300000000, -0.0004707900000000 ] - [ -0.0012338100000000, -0.0000605400000000, 0.0025097900000000 ] - [ -0.0002960600000000, -0.0001402700000000, 0.0001799500000000 ] - [ 0.0006395000000000, -0.0006911200000000, -0.0031394000000000 ] - [ 0.0002041000000000, -0.0001961100000000, -0.0001573100000000 ] - [ -0.0003021500000000, 0.0018630900000000, -0.0003847100000000 ] - [ 0.0001127300000000, -0.0000405800000000, 0.0000937800000000 ] - [ 0.0045375200000000, 0.0181493700000000, 0.0052899100000000 ] - [ -0.0001727100000000, 0.0002403500000000, -0.0000702900000000 ] - [ 0.0006203100000000, 0.0000897200000000, -0.0025051700000000 ] - [ -0.0001415000000000, -0.0004064000000000, -0.0001800100000000 ] - [ -0.0007981700000000, -0.0017681100000000, -0.0007170600000000 ] - [ 0.0004942900000000, 0.0001691300000000, -0.0002165600000000 ] - [ -0.0012386800000000, -0.0014355000000000, 0.0042318700000000 ] - [ -0.0001023500000000, 0.0003151600000000, 0.0000408400000000 ] - [ 0.0001467700000000, 0.0002616900000000, -0.0002155000000000 ] - [ -0.0016037900000000, -0.0051536600000000, -0.0008866800000000 ] - [ -0.0000569700000000, -0.0001298300000000, 0.0007723200000000 ] - [ 0.0000554800000000, -0.0001281000000000, 0.0000124900000000 ] - [ -0.0003008100000000, -0.0015781400000000, -0.0001971000000000 ] - [ 0.0000734800000000, -0.0000023300000000, 0.0001366800000000 ] - [ 0.0002496700000000, -0.0029578600000000, -0.0007644300000000 ] - [ 0.0001933000000000, 0.0006049700000000, -0.0001939500000000 ] - [ 0.0019238500000000, 0.0004667900000000, 0.0062310600000000 ] - [ 0.0000169800000000, 0.0001767900000000, 0.0001536800000000 ] - [ -0.0063946800000000, -0.0024698200000000, 0.0011523500000000 ] - [ 0.0000337300000000, -0.0000726800000000, 0.0001712300000000 ] - [ -0.0000125800000000, 0.0000338300000000, 0.0003782300000000 ] - [ 0.0000142600000000, -0.0002264400000000, 0.0001764200000000 ] - [ 0.0035417500000000, 0.0025687600000000, 0.0002696500000000 ] - [ 0.0006145500000000, -0.0000418000000000, -0.0003632800000000 ] - [ -0.0009314300000000, -0.0000297700000000, 0.0012098700000000 ] - [ -0.0006007500000000, 0.0000788200000000, 0.0004533600000000 ] - [ 0.0002359900000000, -0.0003521500000000, -0.0002667000000000 ] - [ -0.0004821000000000, 0.0001454000000000, 0.0002897700000000 ] - [ 0.0002606400000000, -0.0000145200000000, -0.0002652400000000 ] - [ -0.0003680700000000, 0.0007924900000000, 0.0001704800000000 ] - [ 0.0022690900000000, -0.0000510000000000, -0.0034496500000000 ] - [ 0.0001015000000000, 0.0001278500000000, -0.0001078000000000 ] - [ 0.0000849500000000, 0.0000104700000000, 0.0004901000000000 ] - [ -0.0000257400000000, 0.0000793800000000, 0.0001298000000000 ] - [ -0.0003908200000000, 0.0001136800000000, -0.0005634500000000 ] - [ -0.0002108000000000, -0.0000162300000000, -0.0000621500000000 ] - [ -0.0002069100000000, -0.0003134400000000, 0.0005104500000000 ] - [ 0.0000675400000000, 0.0000771800000000, 0.0000055400000000 ] - [ 0.0455183300000000, -0.0106466700000000, -0.1038396100000000 ] - [ 0.0009485200000000, -0.0001309200000000, 0.0001194500000000 ] - [ -0.0007715900000000, -0.0005272400000000, 0.0001553800000000 ] - [ -0.0008177500000000, 0.0002918600000000, 0.0001405300000000 ] - [ -0.0057160100000000, 0.0080740000000000, 0.0005392600000000 ] - [ -0.0008867600000000, 0.0001267200000000, -0.0002162700000000 ] - [ 0.0006010900000000, -0.0002831400000000, 0.0014290300000000 ] - [ 0.0007877100000000, 0.0002239800000000, 0.0003723500000000 ] - [ 0.0016874600000000, 0.0048905800000000, -0.0072688100000000 ] - [ 0.0000921000000000, -0.0002525300000000, -0.0001622700000000 ] - [ -0.0005766200000000, 0.0004070500000000, 0.0006839400000000 ] - [ -0.0000729400000000, -0.0005602800000000, 0.0004944600000000 ] - [ 0.0005330200000000, -0.0006560000000000, 0.0013319700000000 ] - [ 0.0000257700000000, 0.0004298100000000, 0.0001121300000000 ] - [ -0.0048334400000000, 0.0089656200000000, 0.0026896600000000 ] - [ 0.0000902300000000, 0.0001914600000000, -0.0002078700000000 ] - [ 0.0045057700000000, 0.0050916100000000, -0.0005109600000000 ] - [ -0.0006352500000000, 0.0003664400000000, 0.0003048000000000 ] - [ 0.0006659400000000, 0.0002431500000000, -0.0003309300000000 ] - [ 0.0008394900000000, 0.0006245200000000, -0.0007585700000000 ] - [ 0.0003491400000000, 0.0000817700000000, -0.0001699900000000 ] - [ 0.0005460400000000, -0.0002085000000000, -0.0004586200000000 ] - [ -0.0003969300000000, -0.0004444200000000, 0.0006356800000000 ] - [ -0.0006069100000000, -0.0001212800000000, 0.0006261700000000 ] - [ 0.0000313100000000, 0.0006978100000000, 0.0007898400000000 ] - [ -0.0000913000000000, 0.0010822900000000, 0.0005280700000000 ] - [ -0.0002873600000000, 0.0002663200000000, -0.0012476900000000 ] - [ 0.0000436000000000, 0.0008795300000000, -0.0005210500000000 ] - [ 0.0004811800000000, -0.0013374400000000, 0.0003313700000000 ] - [ 0.0001343500000000, -0.0006117800000000, -0.0002924800000000 ] - [ -0.0002679000000000, -0.0004312600000000, -0.0002370100000000 ] - [ -0.0003676200000000, -0.0007503500000000, -0.0000771600000000 ]- atom: 81 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0003503000000000, 0.0002673000000000, -0.0015752500000000 ] - [ -0.0001556800000000, 0.0007442100000000, -0.0000894700000000 ] - [ 0.0010612100000000, 0.0006085500000000, 0.0006441300000000 ] - [ 0.0000681800000000, 0.0006030800000000, 0.0001438800000000 ] - [ -0.0008760300000000, -0.0001801900000000, -0.0013810700000000 ] - [ 0.0000038100000000, -0.0002889600000000, -0.0001053200000000 ] - [ 0.0000248800000000, -0.0003559400000000, 0.0003681200000000 ] - [ -0.0001613700000000, -0.0002902800000000, 0.0005304600000000 ] - [ -0.0009873600000000, -0.0008737400000000, -0.0000103700000000 ] - [ -0.0002488900000000, -0.0001729400000000, -0.0000189100000000 ] - [ 0.0002413400000000, -0.0004323700000000, -0.0006015000000000 ] - [ 0.0001662200000000, -0.0003058500000000, -0.0001543800000000 ] - [ 0.0002134400000000, -0.0002108700000000, 0.0006422900000000 ] - [ 0.0002097800000000, 0.0004706300000000, -0.0000297600000000 ] - [ 0.0000184700000000, 0.0008072500000000, 0.0000577300000000 ] - [ 0.0000909300000000, 0.0003663700000000, -0.0000761900000000 ] - [ 0.0010072100000000, 0.0005804900000000, 0.0010883100000000 ] - [ -0.0000102800000000, -0.0000235600000000, -0.0001724900000000 ] - [ -0.0000507700000000, 0.0001127900000000, 0.0000004300000000 ] - [ -0.0003317300000000, -0.0007700600000000, 0.0002148500000000 ] - [ 0.0007831000000000, -0.0002806100000000, 0.0009089800000000 ] - [ 0.0001300000000000, 0.0002693000000000, 0.0003869500000000 ] - [ -0.0019386400000000, 0.0010528900000000, -0.0029883800000000 ] - [ -0.0005160800000000, -0.0000695800000000, -0.0006944600000000 ] - [ 0.0419518000000000, 0.0120124600000000, -0.0118236200000000 ] - [ -0.0002493800000000, 0.0004388300000000, 0.0000653400000000 ] - [ 0.0004692600000000, -0.0000368700000000, 0.0000049500000000 ] - [ 0.0004787800000000, 0.0010063000000000, -0.0004146900000000 ] - [ -0.0014158700000000, 0.0000818700000000, 0.0005249400000000 ] - [ 0.0002369900000000, -0.0003486300000000, -0.0002143400000000 ] - [ -0.0003565700000000, -0.0013395200000000, 0.0010887500000000 ] - [ -0.0003806000000000, -0.0001489800000000, 0.0003377200000000 ] - [ 0.0021362200000000, 0.0119606500000000, -0.0867714500000000 ] - [ 0.0001922700000000, 0.0002997100000000, -0.0000751800000000 ] - [ -0.0002129300000000, 0.0002848700000000, 0.0006869200000000 ] - [ -0.0002938100000000, 0.0002765800000000, 0.0005328500000000 ] - [ 0.0009153100000000, -0.0004553800000000, -0.0024652100000000 ] - [ -0.0000191100000000, -0.0003706400000000, -0.0001200200000000 ] - [ -0.0003205000000000, 0.0001828400000000, 0.0030824700000000 ] - [ 0.0001117600000000, -0.0003143300000000, 0.0000967200000000 ] - [ 0.0005731800000000, -0.0012603500000000, 0.0006370000000000 ] - [ 0.0001646400000000, 0.0006307500000000, 0.0001526000000000 ] - [ -0.0049202200000000, -0.0177077500000000, -0.0056159900000000 ] - [ -0.0001059300000000, 0.0003476200000000, -0.0001753400000000 ] - [ -0.0009131000000000, -0.0006855800000000, 0.0022587000000000 ] - [ -0.0001354600000000, -0.0001837900000000, -0.0000666700000000 ] - [ 0.0010742600000000, 0.0011717100000000, 0.0009559700000000 ] - [ -0.0002198000000000, -0.0007597000000000, 0.0004631600000000 ] - [ 0.0010810800000000, 0.0018115800000000, -0.0041143800000000 ] - [ -0.0000507600000000, 0.0000807800000000, 0.0000260000000000 ] - [ 0.0000067800000000, 0.0001365100000000, 0.0001476900000000 ] - [ 0.0017907400000000, 0.0055829500000000, 0.0007714000000000 ] - [ 0.0002141400000000, -0.0002688800000000, -0.0008367100000000 ] - [ 0.0000980700000000, -0.0002677200000000, -0.0000797800000000 ] - [ 0.0001511300000000, 0.0011910800000000, 0.0002719800000000 ] - [ -0.0002274900000000, -0.0003951500000000, -0.0000685500000000 ] - [ -0.0002558400000000, 0.0032954300000000, 0.0004470800000000 ] - [ -0.0002055800000000, -0.0002756300000000, -0.0001167400000000 ] - [ -0.0019019400000000, -0.0001353400000000, -0.0059106800000000 ] - [ -0.0000040300000000, 0.0001533700000000, 0.0001565800000000 ] - [ 0.0064727000000000, 0.0021653700000000, -0.0008374700000000 ] - [ -0.0000208100000000, -0.0002566300000000, 0.0001399300000000 ] - [ 0.0000017200000000, -0.0003682300000000, -0.0006862600000000 ] - [ -0.0000268000000000, -0.0001030300000000, -0.0004879600000000 ] - [ -0.0025584300000000, -0.0027421300000000, -0.0009522500000000 ] - [ 0.0003958300000000, -0.0001017900000000, -0.0003138400000000 ] - [ -0.0000780300000000, -0.0001152100000000, -0.0005324700000000 ] - [ -0.0004096000000000, -0.0002221100000000, 0.0002239800000000 ] - [ -0.0012747500000000, 0.0005015900000000, 0.0009375800000000 ] - [ -0.0005280000000000, -0.0000012300000000, 0.0003870300000000 ] - [ 0.0007501100000000, 0.0001580600000000, -0.0004134700000000 ] - [ 0.0013804200000000, -0.0006505700000000, -0.0008486400000000 ] - [ -0.0021167700000000, 0.0000738400000000, 0.0033686600000000 ] - [ 0.0000546000000000, -0.0001050800000000, 0.0000151600000000 ] - [ -0.0002416600000000, 0.0000119200000000, -0.0003988100000000 ] - [ -0.0001294900000000, -0.0000569800000000, -0.0000369800000000 ] - [ 0.0002327900000000, -0.0001336500000000, 0.0006569700000000 ] - [ 0.0000552800000000, -0.0000065800000000, 0.0001557300000000 ] - [ 0.0003600300000000, 0.0002954300000000, -0.0006109200000000 ] - [ 0.0000882700000000, -0.0000993400000000, -0.0000986800000000 ] - [ -0.0424702900000000, 0.0104382700000000, 0.1087987700000000 ] - [ 0.0007677900000000, -0.0002092400000000, 0.0003431300000000 ] - [ -0.0009413600000000, 0.0001863900000000, -0.0006208200000000 ] - [ -0.0008976600000000, -0.0006328900000000, -0.0006051100000000 ] - [ 0.0040264300000000, -0.0077798900000000, -0.0009661800000000 ] - [ -0.0008283600000000, 0.0002157800000000, -0.0002453000000000 ] - [ 0.0011172700000000, 0.0006273700000000, -0.0009689500000000 ] - [ 0.0009289500000000, 0.0001170600000000, 0.0000895500000000 ] - [ -0.0016249100000000, -0.0056128700000000, 0.0067685600000000 ] - [ 0.0000254000000000, -0.0004143200000000, -0.0002930400000000 ] - [ 0.0004589400000000, -0.0010715700000000, -0.0002257000000000 ] - [ -0.0000447200000000, -0.0001058700000000, -0.0000399700000000 ] - [ -0.0006489400000000, 0.0013295600000000, -0.0008942600000000 ] - [ -0.0001429400000000, 0.0002366100000000, 0.0003425800000000 ] - [ 0.0049409900000000, -0.0082475800000000, -0.0031525600000000 ] - [ 0.0000275200000000, 0.0004765400000000, -0.0002479500000000 ] - [ -0.0056796500000000, -0.0045149600000000, 0.0012767300000000 ] - [ -0.0005418400000000, 0.0001955500000000, 0.0005180700000000 ] - [ 0.0005105700000000, 0.0003189600000000, -0.0004932500000000 ] - [ 0.0003370000000000, -0.0000614000000000, -0.0000658600000000 ] - [ 0.0008279800000000, -0.0006424700000000, -0.0006533600000000 ] - [ 0.0006318700000000, -0.0003531500000000, -0.0003643100000000 ] - [ -0.0007816300000000, -0.0001161000000000, 0.0001867000000000 ] - [ -0.0005703300000000, -0.0004407500000000, 0.0001959400000000 ] - [ -0.0002674800000000, 0.0008239400000000, -0.0000338200000000 ] - [ -0.0001380100000000, 0.0004454400000000, 0.0002344700000000 ] - [ 0.0005187700000000, 0.0012594600000000, 0.0004876800000000 ] - [ 0.0001864200000000, 0.0006493800000000, -0.0002419400000000 ] - [ -0.0002547000000000, -0.0001914100000000, -0.0010951600000000 ] - [ 0.0000956600000000, -0.0009163100000000, -0.0004706100000000 ] - [ 0.0000383100000000, -0.0010959100000000, 0.0010035400000000 ] - [ 0.0001366300000000, -0.0007768700000000, 0.0008371200000000 ]- atom: 89 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ -0.0012445300000000, 0.0002984000000000, 0.0008888000000000 ] - [ -0.0000369800000000, 0.0003712200000000, 0.0000336800000000 ] - [ -0.0008678900000000, 0.0014619800000000, -0.0002120600000000 ] - [ -0.0000275500000000, 0.0002712500000000, -0.0000358300000000 ] - [ -0.0014410400000000, -0.0001542600000000, -0.0005180000000000 ] - [ 0.0000156800000000, -0.0006320800000000, -0.0000325400000000 ] - [ -0.0003638800000000, -0.0011346600000000, -0.0001361000000000 ] - [ 0.0001373000000000, -0.0002858300000000, -0.0001538700000000 ] - [ -0.0002281000000000, -0.0001983500000000, -0.0006824000000000 ] - [ -0.0002029300000000, -0.0004650200000000, 0.0000663300000000 ] - [ -0.0000537000000000, -0.0001066600000000, -0.0005668700000000 ] - [ 0.0001747200000000, -0.0004355900000000, -0.0001008500000000 ] - [ -0.0017668900000000, 0.0001037000000000, 0.0004055700000000 ] - [ 0.0001524400000000, 0.0002615900000000, -0.0000573400000000 ] - [ -0.0003738500000000, -0.0001535700000000, -0.0001902700000000 ] - [ -0.0004703800000000, 0.0006114300000000, 0.0002986600000000 ] - [ 0.0401330300000000, 0.0377317500000000, 0.0349724800000000 ] - [ -0.0001195400000000, -0.0002919300000000, -0.0003300600000000 ] - [ -0.0000974800000000, -0.0001861800000000, 0.0002377000000000 ] - [ -0.0003457400000000, -0.0006356700000000, 0.0000512000000000 ] - [ -0.0002367800000000, -0.0003696900000000, -0.0002057500000000 ] - [ 0.0000714700000000, 0.0000299100000000, 0.0002662200000000 ] - [ 0.0000089800000000, 0.0003368900000000, -0.0000737600000000 ] - [ 0.0000493700000000, -0.0000780900000000, -0.0001181100000000 ] - [ 0.0001443200000000, 0.0003127700000000, 0.0008491900000000 ] - [ -0.0003104400000000, 0.0001675600000000, 0.0002209400000000 ] - [ 0.0001772100000000, 0.0003877800000000, -0.0001786100000000 ] - [ -0.0001219200000000, 0.0002933700000000, -0.0001707700000000 ] - [ -0.0002122800000000, 0.0004801300000000, -0.0013580400000000 ] - [ 0.0002360200000000, -0.0005812400000000, -0.0002317700000000 ] - [ 0.0017161400000000, -0.0022683000000000, 0.0013524700000000 ] - [ -0.0002287200000000, -0.0006060600000000, 0.0001430000000000 ] - [ 0.0098161100000000, 0.0039023100000000, -0.0062361500000000 ] - [ 0.0001938100000000, 0.0001225900000000, -0.0000387000000000 ] - [ 0.0001005400000000, 0.0005882600000000, 0.0001010600000000 ] - [ -0.0007363900000000, -0.0006346700000000, -0.0001029800000000 ] - [ -0.0000263500000000, -0.0003020600000000, -0.0002509800000000 ] - [ -0.0001502200000000, -0.0003704900000000, 0.0000081500000000 ] - [ 0.0004578800000000, -0.0002759100000000, 0.0022151000000000 ] - [ 0.0002232200000000, -0.0003251200000000, 0.0000117500000000 ] - [ 0.0002633900000000, 0.0007168500000000, 0.0006452900000000 ] - [ 0.0002621600000000, -0.0000014100000000, 0.0002634800000000 ] - [ 0.0000048000000000, 0.0005066700000000, -0.0001229400000000 ] - [ -0.0000893700000000, 0.0001855800000000, -0.0001280600000000 ] - [ 0.0046483600000000, -0.0029198900000000, 0.0005261000000000 ] - [ -0.0001106900000000, -0.0004710800000000, -0.0001131900000000 ] - [ 0.0008053400000000, -0.0000983800000000, 0.0006717000000000 ] - [ 0.0001465200000000, -0.0005200300000000, 0.0000808200000000 ] - [ -0.0005044800000000, -0.0002279500000000, -0.0000778600000000 ] - [ -0.0001082600000000, 0.0002913000000000, 0.0000115900000000 ] - [ 0.0000726400000000, 0.0001903200000000, -0.0000082600000000 ] - [ 0.0001490500000000, 0.0003225500000000, 0.0000144000000000 ] - [ 0.0037468000000000, -0.0027583800000000, -0.0005649400000000 ] - [ 0.0000678000000000, -0.0000935400000000, -0.0000257000000000 ] - [ -0.0003791300000000, 0.0002125300000000, 0.0004445600000000 ] - [ -0.0001046800000000, -0.0000269300000000, -0.0000554500000000 ] - [ -0.0002907900000000, 0.0000226900000000, -0.0006435100000000 ] - [ -0.0000585900000000, 0.0002316000000000, -0.0001920000000000 ] - [ 0.0005912000000000, 0.0000057900000000, -0.0000996600000000 ] - [ -0.0000041000000000, 0.0002291800000000, 0.0001536500000000 ] - [ 0.0039941400000000, 0.0009812400000000, 0.0036051700000000 ] - [ 0.0000091400000000, -0.0000995500000000, 0.0001650400000000 ] - [ -0.0009850300000000, 0.0009338500000000, -0.0005254100000000 ] - [ -0.0002410800000000, 0.0000459200000000, -0.0001880800000000 ] - [ 0.0032487600000000, 0.0032225700000000, -0.0035518800000000 ] - [ 0.0004662600000000, -0.0000072400000000, -0.0003492800000000 ] - [ 0.0005668800000000, 0.0000484900000000, 0.0001569600000000 ] - [ -0.0004253800000000, -0.0000178100000000, 0.0003607800000000 ] - [ -0.0004508500000000, -0.0001992600000000, 0.0008314500000000 ] - [ -0.0004565000000000, 0.0001855600000000, 0.0003133900000000 ] - [ 0.0003124400000000, 0.0002563900000000, -0.0002248400000000 ] - [ 0.0001837500000000, 0.0001290800000000, -0.0003636900000000 ] - [ 0.0015875700000000, -0.0005420600000000, -0.0011168400000000 ] - [ 0.0000911400000000, 0.0001737600000000, -0.0000374800000000 ] - [ 0.0005991400000000, -0.0001933100000000, 0.0000564800000000 ] - [ 0.0001277000000000, 0.0000195900000000, 0.0000823000000000 ] - [ 0.0000776600000000, -0.0000261100000000, 0.0002631900000000 ] - [ -0.0000314800000000, 0.0000664700000000, 0.0000836500000000 ] - [ -0.0003756700000000, -0.0021867500000000, 0.0016496500000000 ] - [ 0.0000633600000000, 0.0000951900000000, -0.0000487300000000 ] - [ -0.0031421900000000, -0.0007648900000000, 0.0007202100000000 ] - [ 0.0008304100000000, -0.0000513500000000, 0.0002562800000000 ] - [ -0.0008915900000000, -0.0002925000000000, -0.0002593900000000 ] - [ -0.0004454000000000, 0.0003482800000000, -0.0006410200000000 ] - [ -0.0010860300000000, -0.0009267700000000, 0.0003067200000000 ] - [ -0.0008714800000000, 0.0003393300000000, -0.0001458000000000 ] - [ 0.0014515200000000, 0.0065630800000000, -0.0047666900000000 ] - [ 0.0007406000000000, 0.0002745600000000, 0.0002246600000000 ] - [ -0.0602168900000000, -0.0386107200000000, -0.0254193300000000 ] - [ 0.0000663600000000, -0.0002115800000000, -0.0002265700000000 ] - [ -0.0000495600000000, -0.0006362000000000, 0.0001934500000000 ] - [ -0.0000484300000000, 0.0000287300000000, 0.0003578800000000 ] - [ -0.0001545700000000, 0.0003047500000000, 0.0001696500000000 ] - [ 0.0000479200000000, 0.0004979700000000, 0.0001900800000000 ] - [ -0.0001234200000000, 0.0003618200000000, -0.0004364100000000 ] - [ -0.0000220900000000, 0.0004614500000000, -0.0002565800000000 ] - [ -0.0003707300000000, 0.0002394500000000, 0.0001400400000000 ] - [ -0.0005652300000000, 0.0003884400000000, 0.0003971400000000 ] - [ 0.0007181700000000, 0.0004339600000000, -0.0003298800000000 ] - [ 0.0009102700000000, 0.0001194300000000, -0.0004237800000000 ] - [ 0.0016826200000000, -0.0005760500000000, -0.0002826900000000 ] - [ 0.0006599200000000, -0.0001688500000000, -0.0004089200000000 ] - [ 0.0006394000000000, -0.0014634400000000, 0.0003824300000000 ] - [ -0.0005216700000000, -0.0001544400000000, 0.0006026400000000 ] - [ -0.0051253600000000, -0.0024903100000000, -0.0034895700000000 ] - [ -0.0001236700000000, 0.0008721700000000, 0.0004038700000000 ] - [ 0.0005109500000000, 0.0008236700000000, 0.0001309800000000 ] - [ 0.0001783400000000, 0.0009177400000000, -0.0004180000000000 ] - [ 0.0035563400000000, -0.0010179800000000, 0.0007514900000000 ] - [ 0.0001400800000000, -0.0006503900000000, -0.0003754600000000 ] - [ 0.0000527400000000, -0.0000696000000000, 0.0001891500000000 ] - [ -0.0000419300000000, -0.0008146700000000, 0.0003810800000000 ]- atom: 89 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ 0.0011618500000000, 0.0006053000000000, -0.0008319500000000 ] - [ -0.0000427100000000, 0.0005315900000000, 0.0000197500000000 ] - [ 0.0009444400000000, -0.0005657600000000, 0.0001615200000000 ] - [ 0.0001054000000000, 0.0006326700000000, -0.0000182400000000 ] - [ 0.0015133100000000, -0.0007495300000000, 0.0004637100000000 ] - [ 0.0000623800000000, -0.0002702400000000, -0.0000205300000000 ] - [ 0.0002810900000000, 0.0002431600000000, 0.0001833900000000 ] - [ -0.0002161600000000, -0.0006141600000000, 0.0002040500000000 ] - [ -0.0001611600000000, -0.0005466800000000, 0.0008127900000000 ] - [ -0.0001787600000000, -0.0002677700000000, 0.0000584600000000 ] - [ 0.0004334700000000, -0.0006267600000000, 0.0004398400000000 ] - [ 0.0002056000000000, -0.0002965700000000, -0.0000233300000000 ] - [ 0.0021446900000000, 0.0006311100000000, -0.0005356900000000 ] - [ 0.0002276900000000, 0.0004719900000000, -0.0000677500000000 ] - [ -0.0000089900000000, 0.0008848300000000, 0.0003135800000000 ] - [ 0.0000865700000000, 0.0001214300000000, -0.0001715700000000 ] - [ -0.0409202600000000, -0.0391022200000000, -0.0366470900000000 ] - [ -0.0001324000000000, -0.0000000700000000, -0.0003240400000000 ] - [ 0.0003471600000000, -0.0001056700000000, 0.0004161400000000 ] - [ 0.0005952400000000, 0.0003404100000000, 0.0006033600000000 ] - [ 0.0004870400000000, 0.0006637700000000, 0.0008627900000000 ] - [ 0.0001788200000000, 0.0002633100000000, 0.0003870600000000 ] - [ -0.0002608300000000, -0.0000454000000000, -0.0005785200000000 ] - [ -0.0003006800000000, 0.0003706600000000, -0.0005337600000000 ] - [ -0.0007372700000000, 0.0003567900000000, -0.0004721100000000 ] - [ -0.0002829200000000, 0.0005033400000000, 0.0001502300000000 ] - [ 0.0004149000000000, 0.0002836600000000, -0.0001918300000000 ] - [ 0.0007130200000000, 0.0003767100000000, -0.0002008300000000 ] - [ 0.0008078300000000, -0.0011480000000000, 0.0009772400000000 ] - [ 0.0003567300000000, -0.0000888300000000, -0.0001392600000000 ] - [ -0.0022533400000000, 0.0015557200000000, -0.0009883200000000 ] - [ -0.0003645600000000, -0.0000641700000000, 0.0002273900000000 ] - [ -0.0093676200000000, -0.0033988300000000, 0.0056545100000000 ] - [ 0.0001211200000000, 0.0003884100000000, -0.0000223300000000 ] - [ -0.0004154700000000, -0.0000748500000000, -0.0000405600000000 ] - [ 0.0004180300000000, 0.0011430100000000, 0.0001631000000000 ] - [ -0.0002914500000000, -0.0002051600000000, 0.0003160800000000 ] - [ -0.0001657000000000, -0.0001393600000000, 0.0000539400000000 ] - [ -0.0001424300000000, -0.0002309700000000, -0.0022716600000000 ] - [ 0.0000913800000000, -0.0001839400000000, -0.0000734000000000 ] - [ 0.0000136400000000, -0.0001244300000000, -0.0003965500000000 ] - [ 0.0000147500000000, 0.0005912700000000, -0.0000167600000000 ] - [ -0.0002826000000000, 0.0000794300000000, -0.0001180900000000 ] - [ -0.0001884200000000, 0.0004048400000000, -0.0001181300000000 ] - [ -0.0043708700000000, 0.0024101300000000, -0.0009041600000000 ] - [ -0.0001668500000000, -0.0001179900000000, -0.0001334900000000 ] - [ -0.0005284200000000, -0.0004944600000000, -0.0004263800000000 ] - [ 0.0001344300000000, -0.0000656500000000, 0.0001635000000000 ] - [ 0.0003524800000000, 0.0006221600000000, 0.0001404500000000 ] - [ -0.0000456700000000, 0.0001044600000000, 0.0000552100000000 ] - [ 0.0000799500000000, 0.0002056500000000, -0.0000594600000000 ] - [ 0.0000037600000000, 0.0000750100000000, -0.0000822600000000 ] - [ -0.0035381500000000, 0.0023149800000000, 0.0004863600000000 ] - [ 0.0000848800000000, -0.0003025900000000, -0.0000412800000000 ] - [ 0.0002215700000000, -0.0006241500000000, -0.0003805800000000 ] - [ -0.0000494200000000, -0.0003690600000000, 0.0001228000000000 ] - [ 0.0002778800000000, 0.0003066800000000, 0.0003305100000000 ] - [ 0.0000456500000000, 0.0000983900000000, -0.0001195800000000 ] - [ -0.0005796700000000, 0.0003252200000000, 0.0004125400000000 ] - [ 0.0000160800000000, 0.0001005500000000, 0.0001572500000000 ] - [ -0.0039557300000000, -0.0013014500000000, -0.0032262100000000 ] - [ 0.0000027600000000, -0.0002306300000000, 0.0001459200000000 ] - [ 0.0009708800000000, -0.0012585700000000, 0.0002152200000000 ] - [ 0.0002264300000000, -0.0003762500000000, -0.0001220800000000 ] - [ -0.0022237600000000, -0.0033611800000000, 0.0028886700000000 ] - [ 0.0005439400000000, -0.0001372500000000, -0.0003277600000000 ] - [ -0.0015811000000000, -0.0001946100000000, 0.0005191800000000 ] - [ -0.0005849600000000, -0.0001263700000000, 0.0003162100000000 ] - [ -0.0005608300000000, 0.0003428600000000, -0.0001527300000000 ] - [ -0.0005542600000000, -0.0000418400000000, 0.0003633900000000 ] - [ 0.0006998000000000, -0.0001158500000000, -0.0004540200000000 ] - [ 0.0008243400000000, 0.0000152800000000, -0.0003128800000000 ] - [ -0.0014192500000000, 0.0005607900000000, 0.0010296500000000 ] - [ 0.0000641200000000, -0.0001514700000000, -0.0000554700000000 ] - [ -0.0007527500000000, 0.0002137100000000, 0.0000379300000000 ] - [ -0.0002823200000000, 0.0000012900000000, 0.0000108900000000 ] - [ -0.0002356700000000, 0.0000032400000000, -0.0001741600000000 ] - [ -0.0001249500000000, -0.0000883300000000, 0.0000090700000000 ] - [ 0.0005297400000000, 0.0021606500000000, -0.0017395000000000 ] - [ 0.0000917300000000, -0.0001178100000000, -0.0000436800000000 ] - [ 0.0048510400000000, 0.0004547400000000, -0.0001442800000000 ] - [ 0.0008850200000000, -0.0002895500000000, 0.0002053000000000 ] - [ -0.0008249800000000, -0.0000491600000000, -0.0002036300000000 ] - [ -0.0012693900000000, -0.0006872500000000, 0.0001781200000000 ] - [ -0.0006416300000000, 0.0012810500000000, -0.0007772000000000 ] - [ -0.0008460600000000, 0.0000012200000000, -0.0003166900000000 ] - [ 0.0002510800000000, -0.0061466600000000, 0.0051845200000000 ] - [ 0.0009743300000000, 0.0000660300000000, 0.0002383100000000 ] - [ 0.0601024400000000, 0.0389796400000000, 0.0265923600000000 ] - [ 0.0000501200000000, -0.0004560400000000, -0.0002285900000000 ] - [ -0.0000693700000000, -0.0000312400000000, 0.0002636600000000 ] - [ -0.0000700600000000, -0.0006948500000000, 0.0000972000000000 ] - [ 0.0000370000000000, 0.0003609700000000, 0.0002832900000000 ] - [ -0.0001654300000000, 0.0001694900000000, 0.0002652700000000 ] - [ 0.0002389400000000, 0.0003063200000000, -0.0000198700000000 ] - [ 0.0001391200000000, 0.0002052100000000, -0.0001994000000000 ] - [ -0.0008069700000000, 0.0003245600000000, 0.0006810200000000 ] - [ -0.0006129500000000, 0.0001734500000000, 0.0004257400000000 ] - [ 0.0004581900000000, 0.0001260300000000, -0.0004933800000000 ] - [ 0.0002680500000000, 0.0004424000000000, -0.0003979600000000 ] - [ -0.0005006200000000, 0.0000133700000000, -0.0005388400000000 ] - [ 0.0005170500000000, -0.0003931500000000, -0.0004142600000000 ] - [ -0.0018065300000000, 0.0008897700000000, 0.0004453800000000 ] - [ -0.0006554000000000, -0.0004057500000000, 0.0002201400000000 ] - [ 0.0049256600000000, 0.0039583700000000, 0.0041683800000000 ] - [ -0.0001066400000000, 0.0006555100000000, 0.0003600600000000 ] - [ -0.0002805700000000, 0.0007072800000000, -0.0008922100000000 ] - [ 0.0000513200000000, 0.0006103900000000, -0.0003455400000000 ] - [ -0.0033399200000000, -0.0005033200000000, -0.0015178600000000 ] - [ 0.0000892900000000, -0.0008783100000000, -0.0003873900000000 ] - [ -0.0002824000000000, -0.0014569100000000, 0.0005721600000000 ] - [ -0.0001879300000000, -0.0007131700000000, 0.0003804700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014234800000000, 0.0003485200000000, 0.0014050400000000 ] - [ 0.0000723800000000, -0.0000277300000000, -0.0000530500000000 ] - [ 0.0006908400000000, 0.0022245500000000, 0.0006050500000000 ] - [ -0.0000612300000000, -0.0002286200000000, -0.0001694200000000 ] - [ -0.0004465200000000, 0.0004675100000000, -0.0001233400000000 ] - [ 0.0000321200000000, -0.0010784300000000, -0.0000192400000000 ] - [ -0.0008676000000000, -0.0015242800000000, -0.0005625100000000 ] - [ 0.0000162600000000, -0.0016821000000000, 0.0012765200000000 ] - [ -0.0000000900000000, 0.0002295200000000, -0.0011476300000000 ] - [ -0.0002239200000000, -0.0007427600000000, 0.0002624700000000 ] - [ -0.0000192400000000, -0.0000316800000000, 0.0001020800000000 ] - [ 0.0001956700000000, -0.0006767900000000, -0.0000839300000000 ] - [ -0.0005570700000000, 0.0012149600000000, 0.0000350300000000 ] - [ 0.0001590200000000, -0.0001334400000000, -0.0000748000000000 ] - [ -0.0004572400000000, -0.0004103400000000, -0.0001181000000000 ] - [ 0.0008199600000000, -0.0000171800000000, -0.0011150000000000 ] - [ 0.0341314300000000, 0.0490177600000000, 0.0367402900000000 ] - [ -0.0001681400000000, -0.0008583900000000, -0.0004324700000000 ] - [ 0.0001080400000000, -0.0005905700000000, 0.0005122600000000 ] - [ -0.0000820100000000, -0.0000875300000000, 0.0000755700000000 ] - [ -0.0001874300000000, 0.0005802400000000, 0.0001192800000000 ] - [ 0.0000649000000000, -0.0003870000000000, 0.0002819700000000 ] - [ 0.0001213500000000, 0.0003846800000000, -0.0003906100000000 ] - [ 0.0001337900000000, -0.0003505500000000, 0.0000175300000000 ] - [ 0.0003841500000000, 0.0011572500000000, 0.0001712200000000 ] - [ -0.0003860800000000, -0.0002038000000000, 0.0002735600000000 ] - [ 0.0003632900000000, 0.0002295100000000, -0.0003414700000000 ] - [ 0.0001339400000000, 0.0001661400000000, 0.0000031900000000 ] - [ 0.0010370500000000, 0.0001484300000000, -0.0005220300000000 ] - [ 0.0001230900000000, -0.0008015100000000, -0.0001847600000000 ] - [ -0.0058280100000000, 0.0073055200000000, 0.0009794200000000 ] - [ -0.0002329400000000, -0.0013750100000000, 0.0000020000000000 ] - [ 0.0041489000000000, 0.0121086100000000, -0.0179115300000000 ] - [ 0.0001474300000000, -0.0002161000000000, -0.0000693900000000 ] - [ 0.0004674100000000, -0.0000334900000000, -0.0000637300000000 ] - [ -0.0010027500000000, -0.0008605600000000, -0.0002668500000000 ] - [ -0.0004717900000000, 0.0007486300000000, 0.0006517300000000 ] - [ -0.0001787600000000, -0.0006392200000000, -0.0000336500000000 ] - [ 0.0001859400000000, -0.0001542100000000, 0.0029683200000000 ] - [ 0.0002007700000000, -0.0005639500000000, -0.0001072700000000 ] - [ 0.0003038200000000, 0.0005630800000000, 0.0002270800000000 ] - [ 0.0002350800000000, -0.0003480100000000, 0.0002825600000000 ] - [ -0.0003156300000000, 0.0007377300000000, -0.0002705400000000 ] - [ -0.0001208700000000, -0.0001964000000000, -0.0001070200000000 ] - [ -0.0008595400000000, 0.0016949300000000, -0.0003122000000000 ] - [ -0.0000792200000000, -0.0009915300000000, -0.0000626000000000 ] - [ 0.0004069000000000, -0.0011678800000000, 0.0010955600000000 ] - [ -0.0004293400000000, -0.0014942900000000, 0.0000707100000000 ] - [ -0.0006109800000000, -0.0005068400000000, 0.0005568000000000 ] - [ -0.0001175300000000, 0.0005170100000000, 0.0000018300000000 ] - [ 0.0000953300000000, 0.0004204600000000, -0.0000831500000000 ] - [ 0.0002035900000000, 0.0001899000000000, 0.0000484400000000 ] - [ 0.0001762400000000, -0.0006879700000000, 0.0000772100000000 ] - [ 0.0000274400000000, 0.0001802900000000, -0.0000103500000000 ] - [ -0.0001341700000000, 0.0019248100000000, 0.0020262000000000 ] - [ 0.0000114400000000, 0.0003065700000000, -0.0001133400000000 ] - [ -0.0001675500000000, -0.0000122600000000, -0.0006682900000000 ] - [ -0.0000527000000000, 0.0004138600000000, -0.0001281900000000 ] - [ 0.0007217600000000, -0.0004031800000000, -0.0000128700000000 ] - [ -0.0000611200000000, 0.0004420100000000, 0.0001281600000000 ] - [ 0.0015913300000000, -0.0008548400000000, 0.0020826400000000 ] - [ 0.0000376700000000, 0.0001512600000000, 0.0001897800000000 ] - [ -0.0012049400000000, 0.0035456500000000, -0.0005781000000000 ] - [ 0.0000853200000000, 0.0004678600000000, -0.0000933300000000 ] - [ 0.0050485400000000, 0.0035934800000000, -0.0038737000000000 ] - [ 0.0004705800000000, 0.0004108400000000, -0.0003056900000000 ] - [ -0.0002551800000000, -0.0005314300000000, 0.0002906600000000 ] - [ -0.0005381300000000, 0.0002959500000000, 0.0004372600000000 ] - [ -0.0005074500000000, -0.0006109100000000, 0.0005729400000000 ] - [ -0.0004124800000000, 0.0004473500000000, 0.0002473200000000 ] - [ 0.0004469300000000, 0.0003106100000000, -0.0001777300000000 ] - [ 0.0003131900000000, 0.0002723400000000, -0.0006535900000000 ] - [ 0.0000548200000000, -0.0008496600000000, -0.0000108200000000 ] - [ 0.0001214600000000, 0.0004719900000000, -0.0000499400000000 ] - [ 0.0002155100000000, -0.0000159000000000, 0.0002637500000000 ] - [ -0.0005355300000000, 0.0005964800000000, -0.0000335600000000 ] - [ -0.0001937500000000, 0.0000245400000000, 0.0000789900000000 ] - [ -0.0000441000000000, 0.0001857400000000, 0.0000308600000000 ] - [ -0.0006711700000000, -0.0021660000000000, -0.0003290000000000 ] - [ 0.0000707600000000, 0.0004008500000000, -0.0000182900000000 ] - [ 0.0000058500000000, -0.0036629800000000, 0.0055446300000000 ] - [ 0.0008373200000000, 0.0002097300000000, 0.0003094800000000 ] - [ -0.0010495500000000, -0.0000436700000000, -0.0000559700000000 ] - [ -0.0004107900000000, 0.0005687300000000, -0.0008614300000000 ] - [ -0.0025620700000000, 0.0013110700000000, -0.0018613700000000 ] - [ -0.0007535100000000, 0.0006823700000000, -0.0000941000000000 ] - [ 0.0085791200000000, 0.0045116300000000, -0.0062980700000000 ] - [ 0.0006066600000000, 0.0007215000000000, 0.0002961400000000 ] - [ -0.0380726700000000, -0.0755009000000000, -0.0166243200000000 ] - [ 0.0001810200000000, 0.0002099600000000, -0.0002121500000000 ] - [ -0.0004216900000000, -0.0000809100000000, 0.0000671300000000 ] - [ 0.0002475300000000, -0.0000824000000000, 0.0006536400000000 ] - [ -0.0000867000000000, 0.0000055100000000, 0.0003763600000000 ] - [ 0.0001052200000000, 0.0007673200000000, 0.0000707200000000 ] - [ 0.0000274900000000, 0.0000042800000000, -0.0004943700000000 ] - [ -0.0000697800000000, 0.0006895700000000, -0.0002489100000000 ] - [ -0.0005379200000000, -0.0002766500000000, 0.0001233800000000 ] - [ -0.0005296800000000, 0.0006447000000000, 0.0003401100000000 ] - [ 0.0006343500000000, 0.0005216100000000, -0.0002556600000000 ] - [ 0.0004838600000000, 0.0001270600000000, -0.0011357900000000 ] - [ 0.0010816500000000, -0.0010032100000000, -0.0005107400000000 ] - [ 0.0006592600000000, 0.0000769600000000, -0.0004173300000000 ] - [ -0.0039496300000000, 0.0038882900000000, -0.0012583100000000 ] - [ -0.0003306100000000, 0.0002675900000000, 0.0005747100000000 ] - [ -0.0007812800000000, -0.0055516500000000, -0.0015856500000000 ] - [ -0.0000286400000000, 0.0012956800000000, 0.0001703100000000 ] - [ 0.0002455900000000, 0.0005876900000000, -0.0002722300000000 ] - [ 0.0001259000000000, 0.0012313700000000, -0.0004851600000000 ] - [ 0.0013702300000000, -0.0018698200000000, 0.0002725500000000 ] - [ 0.0001774800000000, -0.0002321900000000, -0.0003427200000000 ] - [ 0.0000149600000000, 0.0002703200000000, 0.0000139200000000 ] - [ -0.0002687200000000, -0.0006736800000000, 0.0006930100000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013456800000000, 0.0005538600000000, -0.0013512000000000 ] - [ -0.0001503400000000, 0.0009298400000000, 0.0001061200000000 ] - [ -0.0006111100000000, -0.0013143700000000, -0.0006567000000000 ] - [ 0.0001403300000000, 0.0011301300000000, 0.0001160500000000 ] - [ 0.0005257000000000, -0.0013711200000000, 0.0000750400000000 ] - [ 0.0000468200000000, 0.0001739500000000, -0.0000337600000000 ] - [ 0.0007906400000000, 0.0006318700000000, 0.0006135500000000 ] - [ -0.0000994500000000, 0.0007748900000000, -0.0012185500000000 ] - [ -0.0003939600000000, -0.0009715400000000, 0.0012769000000000 ] - [ -0.0001570200000000, 0.0000094500000000, -0.0001365100000000 ] - [ 0.0003979000000000, -0.0006994100000000, -0.0002249000000000 ] - [ 0.0001858900000000, -0.0000570100000000, -0.0000404800000000 ] - [ 0.0009369800000000, -0.0004818600000000, -0.0001601800000000 ] - [ 0.0002221200000000, 0.0008652100000000, -0.0000501200000000 ] - [ 0.0000762200000000, 0.0011408600000000, 0.0002419900000000 ] - [ -0.0011955700000000, 0.0007518900000000, 0.0012330300000000 ] - [ -0.0356554200000000, -0.0501656300000000, -0.0386056100000000 ] - [ -0.0000836200000000, 0.0005646600000000, -0.0002220900000000 ] - [ 0.0001436400000000, 0.0002966500000000, 0.0001421800000000 ] - [ 0.0003339700000000, -0.0001999800000000, 0.0005778500000000 ] - [ 0.0004434800000000, -0.0002905000000000, 0.0005301600000000 ] - [ 0.0001861800000000, 0.0006783600000000, 0.0003715100000000 ] - [ -0.0003685300000000, -0.0000895600000000, -0.0002620900000000 ] - [ -0.0003844100000000, 0.0006415300000000, -0.0006698300000000 ] - [ -0.0009726400000000, -0.0004848700000000, 0.0002024000000000 ] - [ -0.0002067600000000, 0.0008729800000000, 0.0000978700000000 ] - [ 0.0002302500000000, 0.0004402900000000, -0.0000301700000000 ] - [ 0.0004581200000000, 0.0005047000000000, -0.0003740700000000 ] - [ -0.0004421200000000, -0.0008213600000000, 0.0001501600000000 ] - [ 0.0004692800000000, 0.0001314400000000, -0.0001856100000000 ] - [ 0.0050516100000000, -0.0072378800000000, -0.0008241500000000 ] - [ -0.0003584400000000, 0.0007049100000000, 0.0003685500000000 ] - [ -0.0038734600000000, -0.0115061900000000, 0.0175294700000000 ] - [ 0.0001682500000000, 0.0007254700000000, 0.0000082700000000 ] - [ -0.0007849200000000, 0.0005426700000000, 0.0001244500000000 ] - [ 0.0006842000000000, 0.0013639900000000, 0.0003253200000000 ] - [ 0.0001538400000000, -0.0012538800000000, -0.0005874400000000 ] - [ -0.0001368300000000, 0.0001280900000000, 0.0000950600000000 ] - [ 0.0001369000000000, -0.0003547100000000, -0.0030141900000000 ] - [ 0.0001145200000000, 0.0000531800000000, 0.0000461000000000 ] - [ -0.0000270400000000, 0.0000257300000000, 0.0000186100000000 ] - [ 0.0000430100000000, 0.0009364500000000, -0.0000362500000000 ] - [ 0.0000358600000000, -0.0001488400000000, 0.0000278600000000 ] - [ -0.0001563900000000, 0.0007848900000000, -0.0001391700000000 ] - [ 0.0005518500000000, -0.0022880300000000, 0.0000622700000000 ] - [ -0.0001977200000000, 0.0004006100000000, -0.0001840200000000 ] - [ -0.0001308500000000, 0.0005774700000000, -0.0008550400000000 ] - [ 0.0007014800000000, 0.0008971500000000, 0.0001808800000000 ] - [ 0.0004561700000000, 0.0009024500000000, -0.0004847500000000 ] - [ -0.0000359100000000, -0.0001201400000000, 0.0000650900000000 ] - [ 0.0000583100000000, -0.0000234500000000, 0.0000157400000000 ] - [ -0.0000485600000000, 0.0002054000000000, -0.0001148000000000 ] - [ -0.0000315200000000, 0.0003098000000000, -0.0001422800000000 ] - [ 0.0001257000000000, -0.0005758100000000, -0.0000564600000000 ] - [ -0.0000224200000000, -0.0022890000000000, -0.0019171500000000 ] - [ -0.0001639500000000, -0.0007010200000000, 0.0001811700000000 ] - [ 0.0001562900000000, 0.0003425600000000, 0.0003572400000000 ] - [ 0.0000398300000000, -0.0000828600000000, -0.0001824600000000 ] - [ -0.0007038300000000, 0.0007305300000000, 0.0003275700000000 ] - [ 0.0000738400000000, -0.0001111500000000, 0.0001827100000000 ] - [ -0.0016094000000000, 0.0005019100000000, -0.0017661400000000 ] - [ -0.0000247100000000, -0.0004802400000000, 0.0001215500000000 ] - [ 0.0011969400000000, -0.0038913200000000, 0.0002658600000000 ] - [ -0.0001000800000000, -0.0008055000000000, -0.0002187400000000 ] - [ -0.0040502600000000, -0.0037378000000000, 0.0032182300000000 ] - [ 0.0005397400000000, -0.0005532800000000, -0.0003712100000000 ] - [ -0.0007564600000000, 0.0003834400000000, 0.0003892400000000 ] - [ -0.0004722200000000, -0.0004385400000000, 0.0002401400000000 ] - [ -0.0005030500000000, 0.0007546800000000, 0.0001023500000000 ] - [ -0.0005974500000000, -0.0003021900000000, 0.0004293800000000 ] - [ 0.0005635900000000, -0.0001670000000000, -0.0004997000000000 ] - [ 0.0006958700000000, -0.0001279800000000, -0.0000246300000000 ] - [ 0.0001169200000000, 0.0008647800000000, -0.0000891500000000 ] - [ 0.0000346300000000, -0.0004485700000000, -0.0000429100000000 ] - [ -0.0003722800000000, 0.0000396200000000, -0.0001694100000000 ] - [ 0.0003767800000000, -0.0005720100000000, 0.0001266500000000 ] - [ 0.0000372200000000, -0.0000466500000000, 0.0000101100000000 ] - [ -0.0001114200000000, -0.0002083300000000, 0.0000617700000000 ] - [ 0.0008206600000000, 0.0021307700000000, 0.0002303100000000 ] - [ 0.0000849200000000, -0.0004220700000000, -0.0000743100000000 ] - [ 0.0017170600000000, 0.0033726700000000, -0.0049675300000000 ] - [ 0.0008787700000000, -0.0005493800000000, 0.0001526600000000 ] - [ -0.0006660500000000, -0.0002964000000000, -0.0004054900000000 ] - [ -0.0013037300000000, -0.0009059800000000, 0.0003968300000000 ] - [ 0.0008381100000000, -0.0009553400000000, 0.0013919400000000 ] - [ -0.0009611500000000, -0.0003389800000000, -0.0003689200000000 ] - [ -0.0067462900000000, -0.0041187700000000, 0.0066725700000000 ] - [ 0.0011100600000000, -0.0003799800000000, 0.0001663800000000 ] - [ 0.0397154800000000, 0.0746810000000000, 0.0179594400000000 ] - [ -0.0000637000000000, -0.0008761600000000, -0.0002429400000000 ] - [ 0.0003039200000000, -0.0005841100000000, 0.0003888400000000 ] - [ -0.0003619800000000, -0.0005856400000000, -0.0001956000000000 ] - [ -0.0000322500000000, 0.0006599200000000, 0.0000782300000000 ] - [ -0.0002216000000000, -0.0000990800000000, 0.0003839400000000 ] - [ 0.0000863300000000, 0.0006630000000000, 0.0000359500000000 ] - [ 0.0001871200000000, -0.0000215700000000, -0.0002066700000000 ] - [ -0.0006374400000000, 0.0008397500000000, 0.0006983300000000 ] - [ -0.0006477500000000, -0.0000819200000000, 0.0004825800000000 ] - [ 0.0005433900000000, 0.0000412000000000, -0.0005664600000000 ] - [ 0.0006945200000000, 0.0004324000000000, 0.0003099500000000 ] - [ 0.0000955900000000, 0.0004434300000000, -0.0003124900000000 ] - [ 0.0005183100000000, -0.0006383500000000, -0.0004056400000000 ] - [ 0.0027349100000000, -0.0043913600000000, 0.0020544100000000 ] - [ -0.0008476100000000, -0.0008276300000000, 0.0002488300000000 ] - [ 0.0005030800000000, 0.0070939100000000, 0.0022345700000000 ] - [ -0.0001995400000000, 0.0002343100000000, 0.0005921500000000 ] - [ -0.0000160100000000, 0.0009375300000000, -0.0004952500000000 ] - [ 0.0001040400000000, 0.0002982700000000, -0.0002782900000000 ] - [ -0.0011341400000000, 0.0003440700000000, -0.0010322600000000 ] - [ 0.0000529700000000, -0.0012947300000000, -0.0004201900000000 ] - [ -0.0002444900000000, -0.0017973800000000, 0.0007482000000000 ] - [ 0.0000380700000000, -0.0008561800000000, 0.0000714100000000 ]- atom: 89 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0005877600000000, 0.0006699100000000, -0.0011944200000000 ] - [ -0.0000678300000000, 0.0003440600000000, -0.0000220200000000 ] - [ -0.0009329500000000, 0.0005117400000000, 0.0003940500000000 ] - [ 0.0000423100000000, 0.0004919500000000, 0.0001027100000000 ] - [ 0.0000270700000000, -0.0002485800000000, -0.0010810700000000 ] - [ 0.0000582000000000, -0.0003218300000000, -0.0000646200000000 ] - [ -0.0000881600000000, -0.0017418600000000, 0.0002862400000000 ] - [ -0.0000042500000000, 0.0000874000000000, -0.0001752300000000 ] - [ -0.0004444800000000, -0.0008982100000000, -0.0021136100000000 ] - [ -0.0002206900000000, -0.0002619000000000, -0.0000771900000000 ] - [ -0.0004034500000000, 0.0003276300000000, -0.0015125900000000 ] - [ 0.0001951500000000, -0.0003397100000000, -0.0002784900000000 ] - [ 0.0011885000000000, 0.0002133100000000, 0.0015147900000000 ] - [ 0.0002313800000000, 0.0004790100000000, 0.0000434600000000 ] - [ 0.0000038800000000, 0.0010666300000000, 0.0004602100000000 ] - [ -0.0001315700000000, -0.0000346300000000, 0.0010145800000000 ] - [ 0.0164831900000000, 0.0224754200000000, 0.0371312900000000 ] - [ -0.0001137800000000, -0.0000117300000000, -0.0002322400000000 ] - [ 0.0002171900000000, -0.0000159700000000, 0.0002612700000000 ] - [ 0.0000014300000000, -0.0007297400000000, 0.0004708300000000 ] - [ -0.0002487400000000, 0.0000702100000000, -0.0000488000000000 ] - [ 0.0001590100000000, 0.0002856200000000, 0.0003370900000000 ] - [ -0.0002602700000000, -0.0003101200000000, -0.0009353700000000 ] - [ -0.0002817500000000, 0.0003517400000000, -0.0007052700000000 ] - [ 0.0008729100000000, 0.0003428000000000, -0.0023041700000000 ] - [ -0.0002753400000000, 0.0003975800000000, 0.0000993200000000 ] - [ 0.0003019600000000, 0.0004029500000000, -0.0003078900000000 ] - [ 0.0002870400000000, 0.0005129600000000, -0.0005187400000000 ] - [ -0.0003936000000000, 0.0001893900000000, 0.0009600600000000 ] - [ 0.0002599600000000, -0.0002699500000000, -0.0001277300000000 ] - [ 0.0014983400000000, 0.0002284900000000, 0.0031192500000000 ] - [ -0.0004005100000000, -0.0004848900000000, 0.0002830100000000 ] - [ -0.0099739200000000, -0.0102258900000000, 0.1053840900000000 ] - [ 0.0001689100000000, 0.0002783400000000, 0.0000099400000000 ] - [ 0.0000453300000000, 0.0000024000000000, 0.0003307800000000 ] - [ 0.0004800500000000, 0.0013063500000000, 0.0005962500000000 ] - [ -0.0001495900000000, -0.0003310200000000, -0.0010911000000000 ] - [ -0.0001638500000000, -0.0002676200000000, -0.0001580000000000 ] - [ 0.0006643300000000, 0.0002107000000000, -0.0026675300000000 ] - [ 0.0001911900000000, -0.0003266100000000, -0.0001340200000000 ] - [ 0.0005782500000000, -0.0005132900000000, -0.0005975500000000 ] - [ 0.0000772700000000, 0.0006143400000000, -0.0001109800000000 ] - [ -0.0004524200000000, -0.0007988300000000, -0.0020493200000000 ] - [ -0.0001065100000000, 0.0004056200000000, -0.0002102900000000 ] - [ -0.0016236800000000, 0.0010614700000000, 0.0038890600000000 ] - [ -0.0001435200000000, -0.0002458500000000, -0.0000065100000000 ] - [ 0.0001514900000000, 0.0006722800000000, 0.0011688400000000 ] - [ -0.0004697200000000, -0.0009687800000000, 0.0007584100000000 ] - [ -0.0010443900000000, 0.0009836300000000, 0.0020013100000000 ] - [ -0.0000680800000000, 0.0001444100000000, 0.0000904700000000 ] - [ 0.0000549400000000, 0.0000567100000000, 0.0001176500000000 ] - [ 0.0001052900000000, 0.0002571300000000, 0.0004158200000000 ] - [ -0.0019566100000000, 0.0012124100000000, -0.0005909700000000 ] - [ 0.0000979100000000, -0.0002772800000000, -0.0001041300000000 ] - [ 0.0002068600000000, 0.0020112100000000, -0.0002458200000000 ] - [ -0.0000559100000000, -0.0002978900000000, -0.0001699800000000 ] - [ -0.0000815800000000, 0.0001270300000000, 0.0004585700000000 ] - [ 0.0000017500000000, 0.0001976400000000, 0.0000670400000000 ] - [ -0.0002350900000000, 0.0002434000000000, 0.0007840800000000 ] - [ 0.0000345400000000, 0.0001464600000000, 0.0002243700000000 ] - [ 0.0059216000000000, 0.0016840100000000, 0.0003426000000000 ] - [ -0.0000125600000000, -0.0002143800000000, 0.0000929400000000 ] - [ -0.0005116600000000, 0.0013423600000000, -0.0010457900000000 ] - [ 0.0000111000000000, -0.0004255800000000, -0.0005829800000000 ] - [ -0.0039711900000000, -0.0048396400000000, -0.0009066400000000 ] - [ 0.0004650400000000, -0.0000491400000000, -0.0004427900000000 ] - [ -0.0007420500000000, -0.0001219700000000, -0.0002631100000000 ] - [ -0.0004893300000000, -0.0001484200000000, 0.0002411500000000 ] - [ -0.0002446700000000, 0.0001878000000000, 0.0008126900000000 ] - [ -0.0005377300000000, 0.0000049900000000, 0.0004061000000000 ] - [ 0.0003223900000000, 0.0002936300000000, -0.0000004700000000 ] - [ 0.0005469700000000, -0.0002723300000000, -0.0001052000000000 ] - [ -0.0039471500000000, 0.0012654300000000, 0.0012930600000000 ] - [ 0.0000819500000000, -0.0001173900000000, -0.0000461600000000 ] - [ -0.0002295900000000, 0.0001182300000000, -0.0004851100000000 ] - [ 0.0000572100000000, -0.0002289500000000, -0.0000775300000000 ] - [ 0.0001883300000000, -0.0001591600000000, 0.0004697400000000 ] - [ -0.0000892600000000, 0.0000124000000000, 0.0001553000000000 ] - [ 0.0021509800000000, -0.0028140300000000, 0.0046541100000000 ] - [ 0.0000779400000000, -0.0000615000000000, -0.0000662400000000 ] - [ 0.0020527100000000, -0.0030974700000000, -0.0069185900000000 ] - [ 0.0008451500000000, -0.0001947200000000, 0.0002807000000000 ] - [ -0.0010237100000000, -0.0001318700000000, -0.0000145700000000 ] - [ -0.0011956900000000, -0.0007670700000000, 0.0002859900000000 ] - [ 0.0008797600000000, -0.0023966700000000, 0.0012700200000000 ] - [ -0.0007537000000000, 0.0001708300000000, -0.0003400400000000 ] - [ -0.0035773900000000, -0.0055195000000000, 0.0033123100000000 ] - [ 0.0007954600000000, 0.0002665100000000, 0.0002200400000000 ] - [ -0.0057758500000000, -0.0034474300000000, -0.1439379400000000 ] - [ 0.0000563200000000, -0.0003585200000000, -0.0003047600000000 ] - [ 0.0000574500000000, -0.0006373900000000, -0.0003598600000000 ] - [ -0.0000990800000000, -0.0002981900000000, -0.0004131900000000 ] - [ -0.0000782200000000, 0.0004827300000000, 0.0009201700000000 ] - [ -0.0001277600000000, 0.0001319700000000, 0.0004102500000000 ] - [ -0.0000754700000000, 0.0005777800000000, 0.0008265100000000 ] - [ 0.0000584100000000, 0.0003117700000000, -0.0000869800000000 ] - [ -0.0006462200000000, 0.0003508000000000, 0.0015611200000000 ] - [ -0.0006014400000000, 0.0002305400000000, 0.0004854900000000 ] - [ 0.0007685700000000, 0.0005156500000000, -0.0002699700000000 ] - [ 0.0011161800000000, -0.0002171500000000, -0.0003133000000000 ] - [ 0.0002473100000000, -0.0009660400000000, -0.0010192300000000 ] - [ 0.0005695600000000, -0.0003110000000000, -0.0004476200000000 ] - [ 0.0000638000000000, -0.0017521200000000, -0.0001714000000000 ] - [ -0.0003959500000000, -0.0003329200000000, 0.0000967100000000 ] - [ 0.0028574300000000, 0.0025968000000000, -0.0032640900000000 ] - [ -0.0001582300000000, 0.0005690700000000, 0.0004079000000000 ] - [ 0.0000147700000000, 0.0015802900000000, 0.0009794000000000 ] - [ 0.0000649100000000, 0.0006246100000000, -0.0002516900000000 ] - [ 0.0007900700000000, -0.0002513300000000, -0.0009733600000000 ] - [ 0.0000907600000000, -0.0008690800000000, -0.0004452000000000 ] - [ -0.0001919000000000, -0.0013545300000000, 0.0008106600000000 ] - [ -0.0001575100000000, -0.0004208600000000, 0.0002796900000000 ]- atom: 89 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0006708500000000, 0.0002305000000000, 0.0012502000000000 ] - [ -0.0000114300000000, 0.0005586500000000, 0.0000753900000000 ] - [ 0.0010074900000000, 0.0003926600000000, -0.0004525400000000 ] - [ 0.0000360600000000, 0.0004118200000000, -0.0001566700000000 ] - [ 0.0000562100000000, -0.0006525100000000, 0.0010265100000000 ] - [ 0.0000203000000000, -0.0005800700000000, 0.0000114400000000 ] - [ 0.0000013800000000, 0.0008469000000000, -0.0002408700000000 ] - [ -0.0000742400000000, -0.0009840300000000, 0.0002221500000000 ] - [ 0.0000596600000000, 0.0001619600000000, 0.0022445600000000 ] - [ -0.0001605800000000, -0.0004703600000000, 0.0002015600000000 ] - [ 0.0007872000000000, -0.0010638000000000, 0.0013867200000000 ] - [ 0.0001853300000000, -0.0003926700000000, 0.0001540600000000 ] - [ -0.0008090500000000, 0.0005193400000000, -0.0016319500000000 ] - [ 0.0001495600000000, 0.0002549700000000, -0.0001678700000000 ] - [ -0.0003851400000000, -0.0003319100000000, -0.0003356100000000 ] - [ -0.0002528600000000, 0.0007689700000000, -0.0008811500000000 ] - [ -0.0171431000000000, -0.0231101000000000, -0.0378571800000000 ] - [ -0.0001377000000000, -0.0002796100000000, -0.0004213000000000 ] - [ 0.0000341200000000, -0.0002767800000000, 0.0003926200000000 ] - [ 0.0002504400000000, 0.0004364100000000, 0.0001845000000000 ] - [ 0.0005029800000000, 0.0002132200000000, 0.0006942200000000 ] - [ 0.0000919100000000, 0.0000082000000000, 0.0003162100000000 ] - [ 0.0000088900000000, 0.0005998400000000, 0.0002820600000000 ] - [ 0.0000299100000000, -0.0000587700000000, 0.0000524500000000 ] - [ -0.0014352500000000, 0.0003242200000000, 0.0026655700000000 ] - [ -0.0003173000000000, 0.0002735300000000, 0.0002716200000000 ] - [ 0.0002913700000000, 0.0002684300000000, -0.0000639500000000 ] - [ 0.0003053800000000, 0.0001583600000000, 0.0001461100000000 ] - [ 0.0009848500000000, -0.0008662800000000, -0.0013253100000000 ] - [ 0.0003324800000000, -0.0003993200000000, -0.0002427500000000 ] - [ -0.0020982800000000, -0.0008677300000000, -0.0027546800000000 ] - [ -0.0001932400000000, -0.0001877700000000, 0.0000875600000000 ] - [ 0.0101499700000000, 0.0097660200000000, -0.1001519400000000 ] - [ 0.0001466700000000, 0.0002320700000000, -0.0000707000000000 ] - [ -0.0003585100000000, 0.0005061900000000, -0.0002696900000000 ] - [ -0.0007964700000000, -0.0007948500000000, -0.0005343400000000 ] - [ -0.0001701800000000, -0.0001732600000000, 0.0011541800000000 ] - [ -0.0001520800000000, -0.0002419300000000, 0.0002189200000000 ] - [ -0.0003508200000000, -0.0007245000000000, 0.0025988100000000 ] - [ 0.0001242400000000, -0.0001830700000000, 0.0000715400000000 ] - [ -0.0003020700000000, 0.0011066600000000, 0.0008405600000000 ] - [ 0.0001991200000000, -0.0000227300000000, 0.0003561400000000 ] - [ 0.0001635200000000, 0.0013608100000000, 0.0017892500000000 ] - [ -0.0001707100000000, 0.0001849300000000, -0.0000360300000000 ] - [ 0.0015304500000000, -0.0016226400000000, -0.0041723900000000 ] - [ -0.0001339200000000, -0.0003435800000000, -0.0002393200000000 ] - [ 0.0001312200000000, -0.0012631200000000, -0.0009148800000000 ] - [ 0.0007439700000000, 0.0003780900000000, -0.0005090400000000 ] - [ 0.0008938300000000, -0.0005954600000000, -0.0019463000000000 ] - [ -0.0000855100000000, 0.0002509400000000, -0.0000232000000000 ] - [ 0.0000975900000000, 0.0003384800000000, -0.0001845500000000 ] - [ 0.0000466500000000, 0.0001361700000000, -0.0004815000000000 ] - [ 0.0021184100000000, -0.0016185500000000, 0.0005284300000000 ] - [ 0.0000552400000000, -0.0001197200000000, 0.0000368200000000 ] - [ -0.0003582400000000, -0.0023917400000000, 0.0003058500000000 ] - [ -0.0000984900000000, -0.0000982400000000, 0.0002359500000000 ] - [ 0.0000671900000000, 0.0002002100000000, -0.0007726400000000 ] - [ -0.0000144300000000, 0.0001322500000000, -0.0003772600000000 ] - [ 0.0002478100000000, 0.0000872800000000, -0.0004671300000000 ] - [ -0.0000221400000000, 0.0001829600000000, 0.0000871300000000 ] - [ -0.0058768500000000, -0.0020036000000000, -0.0000476500000000 ] - [ 0.0000247900000000, -0.0001159500000000, 0.0002177400000000 ] - [ 0.0004946200000000, -0.0016551500000000, 0.0007339200000000 ] - [ -0.0000256000000000, 0.0000940400000000, 0.0002697600000000 ] - [ 0.0049551000000000, 0.0046652600000000, 0.0002009700000000 ] - [ 0.0005449200000000, -0.0000953900000000, -0.0002347100000000 ] - [ -0.0002673700000000, -0.0000242800000000, 0.0009374100000000 ] - [ -0.0005207500000000, 0.0000045000000000, 0.0004358600000000 ] - [ -0.0007641800000000, -0.0000433900000000, -0.0001363900000000 ] - [ -0.0004729100000000, 0.0001382000000000, 0.0002714800000000 ] - [ 0.0006886400000000, -0.0001508500000000, -0.0006768200000000 ] - [ 0.0004630900000000, 0.0004151000000000, -0.0005696400000000 ] - [ 0.0040682200000000, -0.0012332300000000, -0.0013823900000000 ] - [ 0.0000737600000000, 0.0001391900000000, -0.0000470100000000 ] - [ 0.0000715000000000, -0.0000946500000000, 0.0005788100000000 ] - [ -0.0002108300000000, 0.0002484600000000, 0.0001705300000000 ] - [ -0.0003427100000000, 0.0001367000000000, -0.0003758400000000 ] - [ -0.0000669100000000, -0.0000353300000000, -0.0000623200000000 ] - [ -0.0020158400000000, 0.0027961000000000, -0.0047709200000000 ] - [ 0.0000777100000000, 0.0000385000000000, -0.0000263900000000 ] - [ -0.0003060300000000, 0.0027260600000000, 0.0074427900000000 ] - [ 0.0008703100000000, -0.0001463400000000, 0.0001812600000000 ] - [ -0.0006934500000000, -0.0002092700000000, -0.0004461700000000 ] - [ -0.0005214600000000, 0.0004236600000000, -0.0007464500000000 ] - [ -0.0025769300000000, 0.0027118400000000, -0.0017295800000000 ] - [ -0.0009619800000000, 0.0001700100000000, -0.0001228800000000 ] - [ 0.0053070400000000, 0.0059075400000000, -0.0028325700000000 ] - [ 0.0009193600000000, 0.0000752600000000, 0.0002434800000000 ] - [ 0.0063334400000000, 0.0042215800000000, 0.1383834200000000 ] - [ 0.0000604500000000, -0.0003091400000000, -0.0001508500000000 ] - [ -0.0001755900000000, -0.0000297000000000, 0.0008124700000000 ] - [ -0.0000188800000000, -0.0003691500000000, 0.0008657300000000 ] - [ -0.0000399800000000, 0.0001830000000000, -0.0004596800000000 ] - [ 0.0000102100000000, 0.0005338000000000, 0.0000460600000000 ] - [ 0.0001901900000000, 0.0000946700000000, -0.0012773800000000 ] - [ 0.0000590200000000, 0.0003544600000000, -0.0003682200000000 ] - [ -0.0005313800000000, 0.0002138000000000, -0.0007412100000000 ] - [ -0.0005765700000000, 0.0003308500000000, 0.0003377500000000 ] - [ 0.0004079000000000, 0.0000441500000000, -0.0005526700000000 ] - [ 0.0000612100000000, 0.0007792100000000, -0.0005049700000000 ] - [ 0.0009280100000000, 0.0004029800000000, 0.0001929300000000 ] - [ 0.0006076200000000, -0.0002515700000000, -0.0003755500000000 ] - [ -0.0012190500000000, 0.0011707900000000, 0.0010039500000000 ] - [ -0.0007786200000000, -0.0002278700000000, 0.0007242500000000 ] - [ -0.0031992000000000, -0.0011945100000000, 0.0039398300000000 ] - [ -0.0000721000000000, 0.0009578200000000, 0.0003561000000000 ] - [ 0.0002135600000000, -0.0000497400000000, -0.0017402800000000 ] - [ 0.0001649400000000, 0.0009028000000000, -0.0005114400000000 ] - [ -0.0005381500000000, -0.0012776000000000, 0.0002193000000000 ] - [ 0.0001388800000000, -0.0006601900000000, -0.0003177900000000 ] - [ -0.0000376300000000, -0.0001730400000000, -0.0000460900000000 ] - [ -0.0000723300000000, -0.0011063100000000, 0.0004816800000000 ]- atom: 97 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0044280400000000, -0.0063174500000000, -0.0019658000000000 ] - [ 0.0000622200000000, 0.0001955700000000, 0.0000204000000000 ] - [ -0.0001540200000000, 0.0007414300000000, 0.0003154800000000 ] - [ 0.0000515100000000, 0.0002905700000000, 0.0000445100000000 ] - [ 0.0080547600000000, -0.0074327600000000, 0.0001487500000000 ] - [ 0.0000654100000000, -0.0007605000000000, -0.0000487700000000 ] - [ 0.0000933300000000, -0.0010240300000000, 0.0002399500000000 ] - [ 0.0001156100000000, -0.0004792400000000, 0.0000674700000000 ] - [ 0.0271888000000000, 0.0129459700000000, -0.0398417100000000 ] - [ -0.0001348600000000, -0.0004475900000000, 0.0001190500000000 ] - [ 0.0001559700000000, 0.0005787400000000, 0.0005039200000000 ] - [ 0.0002099500000000, -0.0010219900000000, 0.0002702500000000 ] - [ 0.0020049300000000, 0.0018135800000000, -0.0005523100000000 ] - [ 0.0002129500000000, 0.0002920900000000, -0.0000540900000000 ] - [ -0.0000689500000000, 0.0006027700000000, 0.0001614800000000 ] - [ -0.0001839100000000, -0.0003089600000000, 0.0004111200000000 ] - [ 0.0005584400000000, 0.0002515400000000, 0.0005650000000000 ] - [ -0.0001359500000000, -0.0002551600000000, -0.0003278400000000 ] - [ 0.0002476000000000, -0.0009775300000000, -0.0003399100000000 ] - [ -0.0001067200000000, 0.0001243800000000, -0.0004238000000000 ] - [ -0.0005613000000000, -0.0003059800000000, 0.0009260300000000 ] - [ 0.0000976300000000, 0.0000478800000000, 0.0003166700000000 ] - [ 0.0011723100000000, -0.0007564600000000, 0.0001996100000000 ] - [ 0.0005395500000000, 0.0008771100000000, -0.0000843800000000 ] - [ 0.0789641800000000, 0.0228858100000000, -0.0056474200000000 ] - [ -0.0003003700000000, 0.0003026700000000, 0.0002487500000000 ] - [ -0.0002148700000000, 0.0002664700000000, -0.0001505900000000 ] - [ 0.0000719900000000, 0.0003478000000000, -0.0002298900000000 ] - [ -0.0015953400000000, -0.0003844400000000, -0.0012824400000000 ] - [ 0.0002427100000000, -0.0003339300000000, -0.0001874000000000 ] - [ -0.0001469100000000, -0.0002313500000000, 0.0005126300000000 ] - [ -0.0002447400000000, -0.0003846900000000, 0.0002905500000000 ] - [ -0.0009999600000000, 0.0005964300000000, 0.0009652800000000 ] - [ 0.0001180500000000, 0.0001937500000000, -0.0000410400000000 ] - [ -0.0001518900000000, 0.0001985800000000, -0.0005398900000000 ] - [ -0.0001590200000000, 0.0002019300000000, -0.0001583900000000 ] - [ -0.0027444900000000, -0.0008394700000000, -0.0000971100000000 ] - [ -0.0002610100000000, -0.0003413300000000, 0.0000236800000000 ] - [ 0.0003485200000000, -0.0006527600000000, -0.0014275900000000 ] - [ 0.0003644800000000, -0.0002935700000000, -0.0001513000000000 ] - [ -0.0009429100000000, 0.0018634000000000, -0.0012619400000000 ] - [ 0.0001516300000000, 0.0001469100000000, 0.0000607900000000 ] - [ -0.0014292100000000, 0.0000603400000000, -0.0010204300000000 ] - [ -0.0002478800000000, 0.0001628800000000, -0.0000816100000000 ] - [ -0.0005740700000000, -0.0004196300000000, -0.0007272500000000 ] - [ -0.0001647900000000, -0.0003776600000000, -0.0001768800000000 ] - [ -0.0005396900000000, -0.0002427000000000, 0.0002942100000000 ] - [ -0.0000309000000000, -0.0004978100000000, 0.0001761900000000 ] - [ -0.0004507100000000, -0.0015685900000000, 0.0077325700000000 ] - [ -0.0000996600000000, 0.0002644500000000, 0.0000452100000000 ] - [ 0.0004020700000000, 0.0003681600000000, -0.0000964900000000 ] - [ 0.0003656400000000, 0.0002994800000000, 0.0001221400000000 ] - [ 0.0006986300000000, -0.0003409600000000, 0.0007059400000000 ] - [ 0.0000734700000000, -0.0001481800000000, -0.0000159600000000 ] - [ 0.0000044400000000, -0.0000089600000000, -0.0000835800000000 ] - [ -0.0000603400000000, -0.0003101100000000, -0.0000346500000000 ] - [ 0.0035865400000000, -0.0047793300000000, 0.0005506200000000 ] - [ 0.0000544800000000, 0.0004089200000000, -0.0001055900000000 ] - [ 0.0008306800000000, -0.0001000100000000, 0.0002657500000000 ] - [ 0.0000619000000000, 0.0001912500000000, 0.0001170800000000 ] - [ 0.0002077800000000, -0.0002275700000000, 0.0002470800000000 ] - [ 0.0000787400000000, -0.0000588400000000, 0.0002016100000000 ] - [ -0.0000881400000000, -0.0002808200000000, -0.0001883200000000 ] - [ 0.0000368000000000, -0.0001016400000000, -0.0001625000000000 ] - [ 0.0012231000000000, 0.0001503800000000, -0.0022002700000000 ] - [ 0.0005089000000000, 0.0000257800000000, -0.0003651600000000 ] - [ -0.0007379900000000, -0.0001074500000000, 0.0002577800000000 ] - [ -0.0005535900000000, -0.0000076700000000, 0.0004002200000000 ] - [ 0.0064244500000000, -0.0017081000000000, -0.0010553600000000 ] - [ -0.0004362000000000, 0.0001741500000000, 0.0002843200000000 ] - [ -0.0003305400000000, 0.0007376400000000, -0.0004007000000000 ] - [ 0.0000539800000000, 0.0002514100000000, -0.0001876800000000 ] - [ -0.0020769800000000, 0.0032715700000000, -0.0055017400000000 ] - [ 0.0000007900000000, 0.0000554600000000, -0.0000454600000000 ] - [ 0.0000564900000000, 0.0001843600000000, 0.0000927100000000 ] - [ -0.0000713400000000, 0.0000460300000000, 0.0000119000000000 ] - [ 0.0049158100000000, 0.0061054600000000, 0.0031537400000000 ] - [ -0.0000930900000000, -0.0002042900000000, -0.0000266100000000 ] - [ -0.0003414600000000, -0.0013433600000000, -0.0011131900000000 ] - [ 0.0000320000000000, 0.0000938600000000, -0.0001037400000000 ] - [ -0.0034770900000000, 0.0044502200000000, 0.0041320500000000 ] - [ 0.0009220700000000, -0.0000826500000000, 0.0002038500000000 ] - [ -0.0004706800000000, -0.0005507900000000, 0.0001677500000000 ] - [ -0.0007091800000000, 0.0000009000000000, -0.0000989100000000 ] - [ 0.0000834500000000, 0.0001700100000000, -0.0001669200000000 ] - [ -0.0007753600000000, 0.0002427500000000, -0.0002485000000000 ] - [ 0.0006943300000000, 0.0003093500000000, 0.0003767200000000 ] - [ 0.0008443900000000, 0.0002137200000000, 0.0002053500000000 ] - [ 0.0002783200000000, -0.0002823200000000, -0.0002199500000000 ] - [ 0.0000825700000000, -0.0002737900000000, -0.0002331400000000 ] - [ 0.0002666500000000, -0.0002309700000000, 0.0008953100000000 ] - [ 0.0000722800000000, -0.0003784200000000, 0.0004614600000000 ] - [ 0.0010316400000000, 0.0008253300000000, 0.0002428100000000 ] - [ 0.0000130800000000, 0.0004047700000000, 0.0002320600000000 ] - [ 0.0012901100000000, 0.0036731100000000, 0.0008740200000000 ] - [ 0.0001256300000000, 0.0000762100000000, 0.0000001100000000 ] - [ -0.1206620700000000, -0.0321026900000000, 0.0283644200000000 ] - [ -0.0006688700000000, 0.0003724500000000, 0.0003780000000000 ] - [ 0.0007342300000000, 0.0004736700000000, -0.0006090700000000 ] - [ 0.0007340400000000, 0.0000983300000000, -0.0007267800000000 ] - [ -0.0003675500000000, 0.0022411100000000, 0.0086399800000000 ] - [ 0.0005479600000000, -0.0002111700000000, -0.0004282800000000 ] - [ -0.0003980300000000, -0.0003296100000000, -0.0000389400000000 ] - [ -0.0006709000000000, -0.0002600600000000, 0.0003719900000000 ] - [ -0.0054033800000000, -0.0001294200000000, 0.0038900600000000 ] - [ -0.0001263400000000, 0.0008862300000000, 0.0003735500000000 ] - [ 0.0007477100000000, -0.0015004900000000, 0.0013671200000000 ] - [ -0.0001880800000000, 0.0013268000000000, -0.0004418000000000 ] - [ -0.0000074500000000, -0.0011705100000000, -0.0006969400000000 ] - [ 0.0001187400000000, -0.0006682700000000, -0.0003860500000000 ] - [ -0.0017645700000000, 0.0006563500000000, 0.0001322700000000 ] - [ -0.0006011200000000, -0.0004841600000000, 0.0004227600000000 ]- atom: 97 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0045164400000000, 0.0074374600000000, 0.0021031400000000 ] - [ -0.0001415800000000, 0.0007066500000000, 0.0000327200000000 ] - [ 0.0002308200000000, 0.0001617800000000, -0.0003698400000000 ] - [ 0.0000270900000000, 0.0006119700000000, -0.0000976700000000 ] - [ -0.0081973700000000, 0.0068392000000000, -0.0004009400000000 ] - [ 0.0000133400000000, -0.0001431900000000, -0.0000045500000000 ] - [ -0.0001751900000000, 0.0001322200000000, -0.0001822300000000 ] - [ -0.0001951600000000, -0.0004237000000000, -0.0000148000000000 ] - [ -0.0277601100000000, -0.0138778900000000, 0.0406115500000000 ] - [ -0.0002467600000000, -0.0002857500000000, 0.0000059200000000 ] - [ 0.0002208200000000, -0.0013136000000000, -0.0006270000000000 ] - [ 0.0001691400000000, 0.0002873000000000, -0.0003956100000000 ] - [ -0.0016122600000000, -0.0010798900000000, 0.0004185100000000 ] - [ 0.0001676000000000, 0.0004405100000000, -0.0000709200000000 ] - [ -0.0003134300000000, 0.0001311900000000, -0.0000342800000000 ] - [ -0.0001976900000000, 0.0010396400000000, -0.0002866600000000 ] - [ -0.0008147200000000, -0.0005532400000000, -0.0012144900000000 ] - [ -0.0001158700000000, -0.0000381900000000, -0.0003263800000000 ] - [ 0.0000054400000000, 0.0006846500000000, 0.0009940600000000 ] - [ 0.0003572600000000, -0.0004136500000000, 0.0010764500000000 ] - [ 0.0008146800000000, 0.0006046400000000, -0.0002794700000000 ] - [ 0.0001527700000000, 0.0002441200000000, 0.0003364200000000 ] - [ -0.0014214900000000, 0.0010528100000000, -0.0008527800000000 ] - [ -0.0007903100000000, -0.0005830600000000, -0.0005728200000000 ] - [ -0.0758806600000000, -0.0205559500000000, 0.0058805900000000 ] - [ -0.0002929700000000, 0.0003672800000000, 0.0001221200000000 ] - [ 0.0008075300000000, 0.0004044100000000, -0.0002208000000000 ] - [ 0.0005208900000000, 0.0003223300000000, -0.0001432600000000 ] - [ 0.0021775000000000, -0.0002902300000000, 0.0009131200000000 ] - [ 0.0003496000000000, -0.0003365500000000, -0.0001834200000000 ] - [ -0.0004468600000000, -0.0004386800000000, -0.0001404400000000 ] - [ -0.0003489400000000, -0.0002858200000000, 0.0000809000000000 ] - [ 0.0013171100000000, -0.0000797600000000, -0.0010042500000000 ] - [ 0.0001969800000000, 0.0003163800000000, -0.0000203600000000 ] - [ -0.0001640700000000, 0.0003116100000000, 0.0006000700000000 ] - [ -0.0001568300000000, 0.0003086100000000, 0.0002193500000000 ] - [ 0.0024245100000000, 0.0003409000000000, 0.0001595900000000 ] - [ -0.0000547800000000, -0.0001699900000000, 0.0000376400000000 ] - [ -0.0000292600000000, 0.0001469800000000, 0.0013661600000000 ] - [ -0.0000477000000000, -0.0002185900000000, 0.0000893600000000 ] - [ 0.0012197100000000, -0.0012713700000000, 0.0015033600000000 ] - [ 0.0001255500000000, 0.0004427500000000, 0.0001852300000000 ] - [ 0.0011687300000000, 0.0005084400000000, 0.0007600900000000 ] - [ -0.0000301000000000, 0.0004262100000000, -0.0001649800000000 ] - [ 0.0002943900000000, -0.0001680100000000, 0.0004804400000000 ] - [ -0.0001125500000000, -0.0002128800000000, -0.0000697600000000 ] - [ 0.0008157000000000, -0.0003475100000000, -0.0000475900000000 ] - [ 0.0003075700000000, -0.0000925900000000, 0.0000706700000000 ] - [ 0.0002765800000000, 0.0019491100000000, -0.0076012300000000 ] - [ -0.0000541700000000, 0.0001319900000000, 0.0000215800000000 ] - [ -0.0002486300000000, 0.0000291100000000, 0.0000291200000000 ] - [ -0.0002106700000000, 0.0001043800000000, -0.0001876900000000 ] - [ -0.0005420700000000, -0.0000575500000000, -0.0007675000000000 ] - [ 0.0000792900000000, -0.0002472700000000, -0.0000512700000000 ] - [ -0.0001583300000000, -0.0003862300000000, 0.0001492900000000 ] - [ -0.0000932000000000, -0.0000856600000000, 0.0001010400000000 ] - [ -0.0035896200000000, 0.0050550600000000, -0.0008680300000000 ] - [ -0.0000676400000000, -0.0000786400000000, -0.0002055300000000 ] - [ -0.0008192500000000, 0.0004308700000000, 0.0000513200000000 ] - [ -0.0000497200000000, 0.0001393200000000, 0.0001937700000000 ] - [ -0.0001831200000000, -0.0001043500000000, 0.0000627700000000 ] - [ -0.0000662600000000, -0.0002702300000000, 0.0001091700000000 ] - [ 0.0000780100000000, -0.0000508000000000, -0.0001212400000000 ] - [ -0.0000497100000000, -0.0002279600000000, -0.0001486800000000 ] - [ -0.0002142000000000, -0.0002913100000000, 0.0015232200000000 ] - [ 0.0005009700000000, -0.0001693500000000, -0.0003120700000000 ] - [ -0.0002735000000000, -0.0000368200000000, 0.0004191600000000 ] - [ -0.0004576700000000, -0.0001354800000000, 0.0002769200000000 ] - [ -0.0075173900000000, 0.0018670100000000, 0.0017729200000000 ] - [ -0.0005741300000000, -0.0000295500000000, 0.0003923700000000 ] - [ 0.0013395900000000, -0.0005834200000000, -0.0002795800000000 ] - [ 0.0009557200000000, -0.0001083000000000, -0.0004897200000000 ] - [ 0.0022004000000000, -0.0032248400000000, 0.0053695000000000 ] - [ 0.0001547900000000, -0.0000331100000000, -0.0000476900000000 ] - [ -0.0002148600000000, -0.0001616200000000, 0.0000012800000000 ] - [ -0.0000844100000000, -0.0000236700000000, 0.0000812400000000 ] - [ -0.0050731400000000, -0.0061762300000000, -0.0030787200000000 ] - [ -0.0000625300000000, 0.0001824200000000, 0.0001191800000000 ] - [ 0.0004992700000000, 0.0013182100000000, 0.0010164600000000 ] - [ 0.0001235100000000, -0.0001148500000000, 0.0000104100000000 ] - [ 0.0052519300000000, -0.0046965500000000, -0.0036676000000000 ] - [ 0.0007937400000000, -0.0002573700000000, 0.0002579400000000 ] - [ -0.0012463300000000, 0.0002102200000000, -0.0006307100000000 ] - [ -0.0010080800000000, -0.0003418200000000, -0.0003634800000000 ] - [ -0.0017961300000000, 0.0001690400000000, -0.0002972400000000 ] - [ -0.0009410300000000, 0.0000989800000000, -0.0002145600000000 ] - [ 0.0010202700000000, 0.0000308900000000, 0.0000842600000000 ] - [ 0.0008711600000000, 0.0001281100000000, 0.0002560300000000 ] - [ -0.0001615100000000, -0.0003854200000000, -0.0002342800000000 ] - [ 0.0000343400000000, -0.0003929900000000, -0.0002222700000000 ] - [ -0.0003837900000000, -0.0004334300000000, -0.0004387700000000 ] - [ -0.0001900000000000, -0.0002891600000000, -0.0000066800000000 ] - [ -0.0011506700000000, -0.0001621500000000, 0.0002125400000000 ] - [ -0.0001303000000000, 0.0002633700000000, 0.0002233400000000 ] - [ -0.0011693500000000, -0.0029918600000000, -0.0013242200000000 ] - [ -0.0000088700000000, 0.0005912600000000, -0.0004535700000000 ] - [ 0.1162145800000000, 0.0307520200000000, -0.0280830900000000 ] - [ -0.0005088500000000, 0.0001900900000000, 0.0004447800000000 ] - [ 0.0004430700000000, 0.0000878200000000, -0.0002141700000000 ] - [ 0.0004442400000000, 0.0004636200000000, -0.0000962000000000 ] - [ 0.0015974500000000, -0.0028296500000000, -0.0094739100000000 ] - [ 0.0006289400000000, -0.0003504300000000, -0.0003949900000000 ] - [ -0.0007791800000000, -0.0002318200000000, 0.0008601600000000 ] - [ -0.0005063600000000, -0.0003023300000000, 0.0004495800000000 ] - [ 0.0052193500000000, 0.0016144300000000, -0.0029912900000000 ] - [ -0.0001032900000000, 0.0006428400000000, 0.0003896400000000 ] - [ -0.0005129600000000, 0.0030274200000000, -0.0021463500000000 ] - [ 0.0004174100000000, 0.0002013300000000, -0.0003204000000000 ] - [ 0.0002340800000000, -0.0003584000000000, -0.0000656200000000 ] - [ 0.0001110700000000, -0.0008593100000000, -0.0003772000000000 ] - [ 0.0015188500000000, -0.0022443100000000, 0.0006332300000000 ] - [ 0.0003707100000000, -0.0010446500000000, 0.0003411600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044376100000000, 0.0382789000000000, 0.0150680400000000 ] - [ -0.0000542300000000, -0.0004328300000000, 0.0000153600000000 ] - [ 0.0001808000000000, 0.0009189100000000, -0.0000457400000000 ] - [ 0.0000417200000000, -0.0000669400000000, 0.0000200600000000 ] - [ -0.0049066800000000, 0.0090398500000000, -0.0017055600000000 ] - [ 0.0000260900000000, -0.0012496500000000, -0.0000634800000000 ] - [ -0.0005143500000000, -0.0002239700000000, 0.0006572200000000 ] - [ 0.0000549600000000, -0.0009626200000000, -0.0000964900000000 ] - [ 0.0135752300000000, 0.0195109600000000, -0.0295308100000000 ] - [ -0.0002535700000000, -0.0008419400000000, 0.0000696900000000 ] - [ 0.0007375700000000, -0.0006297000000000, -0.0012619600000000 ] - [ 0.0001309000000000, -0.0012879400000000, 0.0002712600000000 ] - [ 0.0011948900000000, 0.0010638500000000, 0.0002107600000000 ] - [ 0.0001364400000000, -0.0000302700000000, -0.0000207300000000 ] - [ -0.0000398300000000, 0.0004137500000000, -0.0005101400000000 ] - [ -0.0002251900000000, -0.0003166500000000, 0.0005818300000000 ] - [ 0.0004419800000000, 0.0009811900000000, -0.0001815200000000 ] - [ -0.0002273000000000, -0.0006183900000000, -0.0003979100000000 ] - [ -0.0000747900000000, -0.0010623600000000, -0.0003999300000000 ] - [ 0.0008057000000000, -0.0004673700000000, 0.0015658600000000 ] - [ 0.0002288600000000, 0.0012151200000000, 0.0003695600000000 ] - [ 0.0000582100000000, -0.0003126900000000, 0.0002586700000000 ] - [ 0.0002799300000000, -0.0011393100000000, 0.0002602100000000 ] - [ -0.0000411800000000, -0.0010520100000000, -0.0003966400000000 ] - [ 0.0309678500000000, 0.0107516700000000, -0.0058418000000000 ] - [ -0.0004130300000000, -0.0002818000000000, 0.0002356300000000 ] - [ 0.0002532200000000, 0.0003204500000000, 0.0000735200000000 ] - [ 0.0003607500000000, 0.0000061800000000, -0.0002219500000000 ] - [ 0.0002255300000000, 0.0005696600000000, -0.0012554000000000 ] - [ 0.0002450700000000, -0.0008752100000000, -0.0000861100000000 ] - [ -0.0004748500000000, -0.0001774000000000, 0.0000023100000000 ] - [ -0.0002154300000000, -0.0007076500000000, 0.0001896500000000 ] - [ -0.0006564400000000, 0.0011919000000000, 0.0001223900000000 ] - [ 0.0001376000000000, -0.0001483300000000, -0.0001060300000000 ] - [ -0.0001261600000000, 0.0001783000000000, -0.0001104500000000 ] - [ -0.0000892600000000, 0.0002151200000000, 0.0001316400000000 ] - [ -0.0000223700000000, 0.0011614800000000, 0.0003059300000000 ] - [ -0.0001776100000000, -0.0006587400000000, -0.0000082700000000 ] - [ 0.0001674500000000, -0.0003415700000000, -0.0016974600000000 ] - [ 0.0004219800000000, -0.0006897500000000, 0.0001836000000000 ] - [ 0.0000617300000000, 0.0014021700000000, 0.0019309100000000 ] - [ 0.0001312800000000, -0.0002108800000000, 0.0000095400000000 ] - [ -0.0006980000000000, 0.0010143200000000, 0.0002969900000000 ] - [ -0.0001804400000000, -0.0004580500000000, -0.0000556900000000 ] - [ -0.0002571700000000, 0.0002617600000000, -0.0002754400000000 ] - [ -0.0001302600000000, -0.0007734400000000, -0.0001540400000000 ] - [ 0.0001968200000000, -0.0003962000000000, -0.0001127900000000 ] - [ 0.0001563300000000, -0.0007431200000000, 0.0001197800000000 ] - [ -0.0005726700000000, -0.0023373800000000, 0.0022111800000000 ] - [ -0.0001206500000000, 0.0005097800000000, 0.0000457100000000 ] - [ 0.0001411900000000, 0.0008208300000000, -0.0001442200000000 ] - [ 0.0000214200000000, 0.0002653900000000, -0.0000344800000000 ] - [ 0.0002721000000000, -0.0005082200000000, 0.0002196900000000 ] - [ 0.0000370000000000, 0.0000776300000000, -0.0000281900000000 ] - [ 0.0000636700000000, -0.0000382800000000, -0.0000622700000000 ] - [ -0.0001484800000000, -0.0000361800000000, 0.0001119200000000 ] - [ -0.0058498600000000, 0.0001985400000000, -0.0027034900000000 ] - [ 0.0001264800000000, 0.0006152400000000, -0.0000522000000000 ] - [ 0.0002957100000000, -0.0001323200000000, 0.0003382800000000 ] - [ -0.0000477000000000, 0.0004223500000000, 0.0000330400000000 ] - [ 0.0005548100000000, -0.0008273500000000, 0.0004050900000000 ] - [ 0.0000630300000000, 0.0001273800000000, 0.0002349700000000 ] - [ -0.0000242400000000, -0.0002509300000000, -0.0000557000000000 ] - [ -0.0000366700000000, 0.0000305800000000, -0.0001643100000000 ] - [ 0.0000582900000000, -0.0003499200000000, 0.0006439400000000 ] - [ 0.0006313200000000, 0.0003452300000000, -0.0004446800000000 ] - [ -0.0006504400000000, -0.0002248200000000, -0.0000248400000000 ] - [ -0.0004968200000000, 0.0002230300000000, 0.0004808200000000 ] - [ -0.0020704100000000, -0.0016057600000000, 0.0015924100000000 ] - [ -0.0004390700000000, 0.0005070500000000, 0.0002556100000000 ] - [ 0.0001875600000000, 0.0014414100000000, -0.0008860700000000 ] - [ 0.0002534100000000, 0.0005637000000000, -0.0000034700000000 ] - [ 0.0004015300000000, 0.0026109200000000, -0.0055468700000000 ] - [ 0.0000753700000000, 0.0004654600000000, -0.0000246600000000 ] - [ -0.0001049000000000, -0.0002578200000000, 0.0000855200000000 ] - [ -0.0000982100000000, 0.0003087200000000, -0.0000014500000000 ] - [ 0.0072513200000000, 0.0039166000000000, 0.0009264900000000 ] - [ -0.0001289700000000, 0.0006556900000000, 0.0001282200000000 ] - [ -0.0002241900000000, 0.0000459100000000, 0.0010227000000000 ] - [ 0.0000860100000000, 0.0003959800000000, -0.0001384800000000 ] - [ -0.0045006100000000, -0.0015206500000000, 0.0034789600000000 ] - [ 0.0008636900000000, 0.0002621900000000, 0.0003234800000000 ] - [ -0.0009427000000000, -0.0000724500000000, -0.0006218100000000 ] - [ -0.0007329500000000, 0.0001140900000000, -0.0001484500000000 ] - [ -0.0006695000000000, -0.0002756700000000, 0.0002136900000000 ] - [ -0.0008884800000000, 0.0005282400000000, -0.0001650500000000 ] - [ 0.0008981800000000, 0.0000246000000000, 0.0004186100000000 ] - [ 0.0008539700000000, 0.0004502300000000, 0.0000609900000000 ] - [ 0.0000176600000000, -0.0008922100000000, -0.0001693900000000 ] - [ 0.0001663300000000, 0.0000298900000000, -0.0002440200000000 ] - [ 0.0001057100000000, -0.0004846700000000, 0.0008093000000000 ] - [ -0.0002148100000000, -0.0000937700000000, -0.0000754600000000 ] - [ -0.0003589300000000, -0.0003893100000000, -0.0005953100000000 ] - [ 0.0000536800000000, 0.0006910900000000, 0.0002347100000000 ] - [ 0.0012465200000000, 0.0044888300000000, 0.0017285700000000 ] - [ -0.0000673300000000, 0.0008818100000000, -0.0002145200000000 ] - [ -0.0319885600000000, -0.0725423900000000, 0.0144581900000000 ] - [ -0.0004980300000000, 0.0007432400000000, 0.0003245200000000 ] - [ 0.0007695200000000, 0.0004436600000000, -0.0006891700000000 ] - [ 0.0003961600000000, 0.0004425500000000, -0.0002588600000000 ] - [ 0.0031391800000000, -0.0081046000000000, 0.0004694700000000 ] - [ 0.0006577400000000, 0.0001586400000000, -0.0005002900000000 ] - [ -0.0005405500000000, -0.0001669500000000, 0.0002676700000000 ] - [ -0.0006089200000000, -0.0001772800000000, 0.0004273600000000 ] - [ -0.0010045700000000, -0.0047712900000000, 0.0025881100000000 ] - [ -0.0000715700000000, 0.0012453400000000, 0.0004454900000000 ] - [ -0.0019280500000000, 0.0052612300000000, -0.0011961100000000 ] - [ -0.0000419800000000, 0.0015233400000000, -0.0003475600000000 ] - [ -0.0000061900000000, -0.0015432000000000, -0.0005260100000000 ] - [ 0.0001570600000000, -0.0003436100000000, -0.0003757000000000 ] - [ -0.0006687100000000, -0.0052244800000000, 0.0029823300000000 ] - [ -0.0001030100000000, -0.0000036400000000, 0.0000619600000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0045556300000000, -0.0386559700000000, -0.0160977000000000 ] - [ -0.0000248500000000, 0.0013339000000000, 0.0000377400000000 ] - [ -0.0000998500000000, -0.0000136300000000, -0.0000069700000000 ] - [ 0.0000372100000000, 0.0009694800000000, -0.0000724700000000 ] - [ 0.0047002700000000, -0.0097772300000000, 0.0014025500000000 ] - [ 0.0000533100000000, 0.0003466000000000, 0.0000103400000000 ] - [ 0.0004368000000000, -0.0006780100000000, -0.0006057900000000 ] - [ -0.0001333300000000, 0.0000601200000000, 0.0001488500000000 ] - [ -0.0140575700000000, -0.0201658800000000, 0.0296321700000000 ] - [ -0.0001276400000000, 0.0001083500000000, 0.0000552100000000 ] - [ -0.0003496700000000, -0.0001016100000000, 0.0011270000000000 ] - [ 0.0002496500000000, 0.0005554300000000, -0.0003975700000000 ] - [ -0.0008013300000000, -0.0003196700000000, -0.0003455700000000 ] - [ 0.0002446400000000, 0.0007632700000000, -0.0001034900000000 ] - [ -0.0003479800000000, 0.0003081900000000, 0.0006467700000000 ] - [ -0.0001558400000000, 0.0010490200000000, -0.0004542400000000 ] - [ -0.0007016100000000, -0.0012789200000000, -0.0004704000000000 ] - [ -0.0000242500000000, 0.0003251500000000, -0.0002560800000000 ] - [ 0.0003303300000000, 0.0007705000000000, 0.0010565700000000 ] - [ -0.0005498400000000, 0.0001775800000000, -0.0009020000000000 ] - [ 0.0000244900000000, -0.0009250300000000, 0.0002848100000000 ] - [ 0.0001931500000000, 0.0006051200000000, 0.0003949800000000 ] - [ -0.0005330300000000, 0.0014281700000000, -0.0009087900000000 ] - [ -0.0002142000000000, 0.0013508800000000, -0.0002651100000000 ] - [ -0.0312038200000000, -0.0101261700000000, 0.0061318800000000 ] - [ -0.0001801100000000, 0.0009515600000000, 0.0001348500000000 ] - [ 0.0003412200000000, 0.0003485300000000, -0.0004460200000000 ] - [ 0.0002329700000000, 0.0006656000000000, -0.0001487500000000 ] - [ 0.0003545900000000, -0.0012547400000000, 0.0008892000000000 ] - [ 0.0003484000000000, 0.0002046600000000, -0.0002843300000000 ] - [ -0.0001205500000000, -0.0004923800000000, 0.0003689700000000 ] - [ -0.0003785200000000, 0.0000366300000000, 0.0001814600000000 ] - [ 0.0009684600000000, -0.0006807200000000, -0.0001797600000000 ] - [ 0.0001774800000000, 0.0006584800000000, 0.0000450700000000 ] - [ -0.0001890200000000, 0.0003296800000000, 0.0001727200000000 ] - [ -0.0002261100000000, 0.0002973300000000, -0.0000694300000000 ] - [ -0.0002945100000000, -0.0016740600000000, -0.0002453200000000 ] - [ -0.0001377300000000, 0.0001482300000000, 0.0000696200000000 ] - [ 0.0001477900000000, -0.0001635700000000, 0.0016274900000000 ] - [ -0.0001069700000000, 0.0001780600000000, -0.0002452700000000 ] - [ 0.0002198700000000, -0.0008245600000000, -0.0016898100000000 ] - [ 0.0001454400000000, 0.0008007800000000, 0.0002362800000000 ] - [ 0.0004113500000000, -0.0004234700000000, -0.0005436200000000 ] - [ -0.0000963600000000, 0.0010480500000000, -0.0001915100000000 ] - [ -0.0000211500000000, -0.0008469000000000, 0.0000278600000000 ] - [ -0.0001462700000000, 0.0001829600000000, -0.0000919400000000 ] - [ 0.0000820300000000, -0.0001966500000000, 0.0003604100000000 ] - [ 0.0001210100000000, 0.0001535400000000, 0.0001268200000000 ] - [ 0.0003878800000000, 0.0027286900000000, -0.0021820300000000 ] - [ -0.0000325600000000, -0.0001137500000000, 0.0000214900000000 ] - [ 0.0000122800000000, -0.0004248700000000, 0.0000776500000000 ] - [ 0.0001310000000000, 0.0001290300000000, -0.0000325900000000 ] - [ -0.0001185200000000, 0.0001125400000000, -0.0002855300000000 ] - [ 0.0001161200000000, -0.0004736000000000, -0.0000388800000000 ] - [ -0.0002163200000000, -0.0003585100000000, 0.0001290900000000 ] - [ -0.0000031300000000, -0.0003585700000000, -0.0000447300000000 ] - [ 0.0058847000000000, 0.0001293700000000, 0.0024081400000000 ] - [ -0.0001384500000000, -0.0002846200000000, -0.0002582700000000 ] - [ -0.0002821000000000, 0.0004590000000000, -0.0000271800000000 ] - [ 0.0000601600000000, -0.0000919200000000, 0.0002781800000000 ] - [ -0.0005231200000000, 0.0004928100000000, -0.0000832200000000 ] - [ -0.0000505000000000, -0.0004570400000000, 0.0000759700000000 ] - [ 0.0000122200000000, -0.0000781000000000, -0.0002548200000000 ] - [ 0.0000241200000000, -0.0003609900000000, -0.0001465000000000 ] - [ 0.0009355100000000, 0.0001969800000000, -0.0013115200000000 ] - [ 0.0003795200000000, -0.0004888400000000, -0.0002325300000000 ] - [ -0.0003609500000000, 0.0000782800000000, 0.0007013300000000 ] - [ -0.0005154800000000, -0.0003671800000000, 0.0001951000000000 ] - [ 0.0010760200000000, 0.0017339700000000, -0.0009124900000000 ] - [ -0.0005712600000000, -0.0003629400000000, 0.0004214900000000 ] - [ 0.0008234500000000, -0.0012967900000000, 0.0002102800000000 ] - [ 0.0007564100000000, -0.0004188800000000, -0.0006714000000000 ] - [ -0.0002255700000000, -0.0025747500000000, 0.0054092200000000 ] - [ 0.0000810200000000, -0.0004453600000000, -0.0000673300000000 ] - [ -0.0000511000000000, 0.0002827700000000, 0.0000071300000000 ] - [ -0.0000574900000000, -0.0002868500000000, 0.0000941300000000 ] - [ -0.0074869900000000, -0.0039731200000000, -0.0008246500000000 ] - [ -0.0000274700000000, -0.0006752600000000, -0.0000349700000000 ] - [ 0.0003770800000000, -0.0000788800000000, -0.0011112300000000 ] - [ 0.0000697100000000, -0.0004178300000000, 0.0000458100000000 ] - [ 0.0062431600000000, 0.0011339200000000, -0.0030144600000000 ] - [ 0.0008524900000000, -0.0006029300000000, 0.0001389500000000 ] - [ -0.0007737800000000, -0.0002667000000000, 0.0001600900000000 ] - [ -0.0009825600000000, -0.0004557400000000, -0.0003134000000000 ] - [ -0.0010460400000000, 0.0006173700000000, -0.0006796900000000 ] - [ -0.0008279700000000, -0.0001870300000000, -0.0002974900000000 ] - [ 0.0008190500000000, 0.0003124600000000, 0.0000447400000000 ] - [ 0.0008620600000000, -0.0001081900000000, 0.0004011600000000 ] - [ 0.0001019100000000, 0.0002242700000000, -0.0002855600000000 ] - [ -0.0000488600000000, -0.0006968000000000, -0.0002112800000000 ] - [ -0.0002237500000000, -0.0001792900000000, -0.0003553700000000 ] - [ 0.0000967700000000, -0.0005742000000000, 0.0005281800000000 ] - [ 0.0002397300000000, 0.0010575000000000, 0.0010540600000000 ] - [ -0.0001708600000000, -0.0000240200000000, 0.0002207700000000 ] - [ -0.0011290600000000, -0.0037899900000000, -0.0021664400000000 ] - [ 0.0001839000000000, -0.0002131900000000, -0.0002401500000000 ] - [ 0.0306696800000000, 0.0741993100000000, -0.0123039400000000 ] - [ -0.0006794500000000, -0.0001811900000000, 0.0004986400000000 ] - [ 0.0004071500000000, 0.0001188000000000, -0.0001328000000000 ] - [ 0.0007799900000000, 0.0001176600000000, -0.0005628200000000 ] - [ -0.0019414300000000, 0.0075445900000000, -0.0012478900000000 ] - [ 0.0005196200000000, -0.0007204500000000, -0.0003228300000000 ] - [ -0.0006368700000000, -0.0003948000000000, 0.0005550000000000 ] - [ -0.0005671300000000, -0.0003822500000000, 0.0003934800000000 ] - [ 0.0007425300000000, 0.0063409600000000, -0.0016860000000000 ] - [ -0.0001580900000000, 0.0002833700000000, 0.0003182200000000 ] - [ 0.0021404200000000, -0.0036651900000000, 0.0004411700000000 ] - [ 0.0002714400000000, 0.0000044200000000, -0.0004146100000000 ] - [ 0.0002334700000000, 0.0000139300000000, -0.0002355700000000 ] - [ 0.0000730800000000, -0.0011845000000000, -0.0003875900000000 ] - [ 0.0004541200000000, 0.0036687800000000, -0.0022977400000000 ] - [ -0.0001248500000000, -0.0015224000000000, 0.0006983300000000 ]- atom: 97 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ -0.0039649500000000, 0.0291753900000000, 0.0157794000000000 ] - [ -0.0000226400000000, 0.0007620200000000, 0.0000871100000000 ] - [ 0.0006724900000000, 0.0004772300000000, -0.0006604400000000 ] - [ 0.0000876600000000, 0.0005818400000000, -0.0001550100000000 ] - [ 0.0012212900000000, -0.0046769300000000, 0.0046577200000000 ] - [ 0.0000384200000000, -0.0002376200000000, 0.0000229400000000 ] - [ 0.0001341900000000, 0.0012796300000000, -0.0007286800000000 ] - [ -0.0000679300000000, -0.0005425200000000, -0.0001212800000000 ] - [ -0.0394178800000000, -0.0286433200000000, 0.1016708900000000 ] - [ -0.0001625700000000, -0.0002966200000000, 0.0001126700000000 ] - [ 0.0003716400000000, -0.0010715200000000, 0.0005987300000000 ] - [ 0.0004606200000000, -0.0001215400000000, 0.0000550400000000 ] - [ 0.0013934400000000, 0.0008029800000000, -0.0030841300000000 ] - [ 0.0001938000000000, 0.0004283000000000, -0.0001197700000000 ] - [ -0.0004549500000000, -0.0001578200000000, 0.0001173200000000 ] - [ -0.0001246700000000, 0.0012249000000000, -0.0004684800000000 ] - [ -0.0001833500000000, -0.0007557900000000, -0.0037034300000000 ] - [ -0.0001259400000000, -0.0000369600000000, -0.0003845400000000 ] - [ 0.0002741200000000, -0.0000297200000000, 0.0007686900000000 ] - [ 0.0000503000000000, -0.0000238000000000, 0.0003156700000000 ] - [ 0.0010921000000000, -0.0000631300000000, -0.0002530900000000 ] - [ 0.0001360400000000, 0.0002259000000000, 0.0003222600000000 ] - [ -0.0000341900000000, 0.0007982800000000, 0.0004410000000000 ] - [ -0.0006124200000000, -0.0003325000000000, -0.0002833100000000 ] - [ -0.0259741100000000, -0.0095441300000000, 0.0086247100000000 ] - [ -0.0002928100000000, 0.0004724600000000, 0.0002296500000000 ] - [ 0.0004823100000000, 0.0001865200000000, -0.0000528800000000 ] - [ 0.0004189700000000, 0.0002684600000000, -0.0001535900000000 ] - [ -0.0019376100000000, -0.0025933100000000, 0.0003780100000000 ] - [ 0.0003162000000000, -0.0002049400000000, -0.0001924700000000 ] - [ -0.0003289100000000, -0.0006161500000000, -0.0007379800000000 ] - [ -0.0003251000000000, -0.0002086600000000, -0.0000541700000000 ] - [ 0.0013026600000000, 0.0004297600000000, -0.0008346600000000 ] - [ 0.0001739300000000, 0.0003221900000000, -0.0000286300000000 ] - [ -0.0002325200000000, 0.0002746700000000, -0.0001320400000000 ] - [ -0.0002972300000000, 0.0002978100000000, -0.0001400900000000 ] - [ 0.0010926800000000, 0.0001306500000000, 0.0006262500000000 ] - [ -0.0001494000000000, -0.0001698900000000, 0.0001132800000000 ] - [ -0.0001947300000000, -0.0006301600000000, 0.0002024700000000 ] - [ -0.0002589300000000, 0.0001321500000000, -0.0000474500000000 ] - [ -0.0010651200000000, 0.0018486500000000, 0.0017243400000000 ] - [ 0.0001044100000000, 0.0003479400000000, 0.0001690500000000 ] - [ 0.0003856700000000, 0.0008529100000000, 0.0009558300000000 ] - [ -0.0002132200000000, 0.0002880800000000, -0.0000180400000000 ] - [ -0.0004367700000000, -0.0001062900000000, -0.0008855300000000 ] - [ -0.0001562900000000, -0.0001702000000000, -0.0001732300000000 ] - [ 0.0007072900000000, -0.0008267800000000, -0.0002526000000000 ] - [ 0.0001985300000000, 0.0000025300000000, 0.0000304800000000 ] - [ 0.0060230400000000, 0.0007382600000000, 0.0030588800000000 ] - [ -0.0000628100000000, 0.0001446000000000, 0.0000175900000000 ] - [ -0.0000830900000000, 0.0002995500000000, -0.0000976600000000 ] - [ 0.0000730000000000, 0.0002205800000000, -0.0002739900000000 ] - [ 0.0007101200000000, -0.0002647300000000, 0.0013366300000000 ] - [ 0.0000785000000000, -0.0002406500000000, -0.0000096600000000 ] - [ -0.0001474700000000, -0.0005062500000000, 0.0001477100000000 ] - [ -0.0000607500000000, -0.0000426400000000, 0.0001417500000000 ] - [ -0.0039157700000000, 0.0017408200000000, -0.0032136900000000 ] - [ -0.0000362200000000, 0.0000944200000000, -0.0002443100000000 ] - [ -0.0000471400000000, 0.0003798400000000, 0.0001269100000000 ] - [ 0.0000132700000000, 0.0001046900000000, 0.0001428600000000 ] - [ 0.0001815000000000, -0.0006667400000000, 0.0000265600000000 ] - [ -0.0000138500000000, -0.0001933600000000, 0.0001707000000000 ] - [ 0.0001185200000000, -0.0001108400000000, 0.0005777200000000 ] - [ 0.0000096000000000, -0.0002114100000000, -0.0000390900000000 ] - [ -0.0024954900000000, 0.0001014100000000, 0.0031898000000000 ] - [ 0.0004699400000000, -0.0001949300000000, -0.0002846900000000 ] - [ -0.0002927800000000, -0.0003725400000000, 0.0006584400000000 ] - [ -0.0005264700000000, -0.0000715000000000, 0.0003487700000000 ] - [ -0.0049082800000000, 0.0021429600000000, -0.0011973400000000 ] - [ -0.0005516600000000, -0.0000171200000000, 0.0003379300000000 ] - [ 0.0013724400000000, -0.0022801900000000, -0.0002706700000000 ] - [ 0.0005943600000000, 0.0001911800000000, -0.0004428600000000 ] - [ -0.0009468700000000, -0.0046561600000000, 0.0048788600000000 ] - [ 0.0001214200000000, -0.0000574500000000, -0.0000832200000000 ] - [ -0.0005950900000000, 0.0002313100000000, 0.0006451100000000 ] - [ -0.0001052800000000, -0.0000219500000000, 0.0001498400000000 ] - [ -0.0006455200000000, -0.0027545000000000, -0.0056708700000000 ] - [ -0.0000471600000000, -0.0001178000000000, -0.0000435500000000 ] - [ -0.0002701500000000, 0.0029410900000000, 0.0023093300000000 ] - [ 0.0000324300000000, -0.0001937700000000, 0.0000425100000000 ] - [ -0.0015109700000000, -0.0024068200000000, -0.0032416000000000 ] - [ 0.0008867900000000, -0.0002583500000000, 0.0001503000000000 ] - [ -0.0007367300000000, -0.0000879800000000, -0.0006226200000000 ] - [ -0.0008557800000000, -0.0001616700000000, -0.0001760000000000 ] - [ -0.0013782500000000, 0.0005620400000000, -0.0000834100000000 ] - [ -0.0008640500000000, 0.0000589800000000, -0.0002657100000000 ] - [ 0.0011646100000000, 0.0001474300000000, 0.0004931000000000 ] - [ 0.0009082300000000, 0.0000491100000000, 0.0004702000000000 ] - [ -0.0002599000000000, -0.0006186900000000, 0.0008335900000000 ] - [ 0.0000376500000000, -0.0004206900000000, -0.0001560400000000 ] - [ -0.0001741700000000, 0.0003157200000000, 0.0001061400000000 ] - [ -0.0000221900000000, -0.0004660200000000, 0.0003207800000000 ] - [ -0.0002924100000000, 0.0000814900000000, -0.0003430200000000 ] - [ -0.0000793600000000, 0.0003053200000000, 0.0001908800000000 ] - [ -0.0003737700000000, 0.0008021900000000, -0.0011846200000000 ] - [ 0.0002163300000000, 0.0002629000000000, -0.0005549900000000 ] - [ 0.0646459300000000, 0.0243186900000000, -0.1306671800000000 ] - [ -0.0005947700000000, 0.0001692300000000, 0.0003886600000000 ] - [ 0.0002424800000000, 0.0000729000000000, -0.0004153100000000 ] - [ 0.0003547500000000, 0.0006032800000000, -0.0003766300000000 ] - [ 0.0094799700000000, -0.0002788300000000, 0.0105712700000000 ] - [ 0.0005863000000000, -0.0003876100000000, -0.0003859700000000 ] - [ -0.0010725700000000, -0.0001274200000000, 0.0011375700000000 ] - [ -0.0005982300000000, -0.0003062600000000, 0.0005306100000000 ] - [ 0.0009665500000000, 0.0004838300000000, -0.0071567500000000 ] - [ -0.0001215300000000, 0.0007109100000000, 0.0004003600000000 ] - [ 0.0010272900000000, 0.0005733100000000, -0.0007430300000000 ] - [ 0.0001999800000000, 0.0004248000000000, -0.0003709700000000 ] - [ -0.0005245100000000, -0.0007077200000000, 0.0008062000000000 ] - [ 0.0000953900000000, -0.0008438800000000, -0.0003283300000000 ] - [ 0.0003303100000000, -0.0075223000000000, -0.0003448900000000 ] - [ -0.0000041600000000, -0.0012549700000000, 0.0002431600000000 ]- atom: 97 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ 0.0039619900000000, -0.0291762100000000, -0.0161629600000000 ] - [ -0.0000560500000000, 0.0001427600000000, -0.0000341300000000 ] - [ -0.0005895100000000, 0.0004216000000000, 0.0006082400000000 ] - [ -0.0000075700000000, 0.0003237900000000, 0.0001016300000000 ] - [ -0.0011884500000000, 0.0037938100000000, -0.0046981800000000 ] - [ 0.0000400100000000, -0.0006647400000000, -0.0000760200000000 ] - [ -0.0002176700000000, -0.0021346600000000, 0.0007826000000000 ] - [ -0.0000116700000000, -0.0003606300000000, 0.0001764100000000 ] - [ 0.0366858000000000, 0.0261135300000000, -0.0968739700000000 ] - [ -0.0002183200000000, -0.0004350800000000, 0.0000135300000000 ] - [ 0.0000090400000000, 0.0003374200000000, -0.0007146500000000 ] - [ -0.0000789700000000, -0.0006125600000000, -0.0001750100000000 ] - [ -0.0010122800000000, -0.0000733900000000, 0.0029604000000000 ] - [ 0.0001871800000000, 0.0003052300000000, -0.0000058400000000 ] - [ 0.0000784700000000, 0.0008961200000000, -0.0000023500000000 ] - [ -0.0002547300000000, -0.0004948800000000, 0.0005913200000000 ] - [ -0.0000885400000000, 0.0004338300000000, 0.0030300600000000 ] - [ -0.0001248300000000, -0.0002546700000000, -0.0002690000000000 ] - [ -0.0000267700000000, -0.0002629400000000, -0.0001165900000000 ] - [ 0.0001966900000000, -0.0002677800000000, 0.0003312300000000 ] - [ -0.0008279500000000, 0.0003482500000000, 0.0009126900000000 ] - [ 0.0001153600000000, 0.0000675900000000, 0.0003321100000000 ] - [ -0.0002247200000000, -0.0005006700000000, -0.0011041600000000 ] - [ 0.0003603600000000, 0.0006226300000000, -0.0003645200000000 ] - [ 0.0254163800000000, 0.0103301400000000, -0.0080124100000000 ] - [ -0.0002993900000000, 0.0001987200000000, 0.0001415200000000 ] - [ 0.0001125600000000, 0.0004843700000000, -0.0003148000000000 ] - [ 0.0001751100000000, 0.0004021300000000, -0.0002171200000000 ] - [ 0.0025307400000000, 0.0019282400000000, -0.0007581500000000 ] - [ 0.0002766300000000, -0.0004640700000000, -0.0001787300000000 ] - [ -0.0002668100000000, -0.0000603900000000, 0.0011063100000000 ] - [ -0.0002690200000000, -0.0004580900000000, 0.0004245200000000 ] - [ -0.0009872800000000, 0.0000772800000000, 0.0007772700000000 ] - [ 0.0001417500000000, 0.0001889400000000, -0.0000329600000000 ] - [ -0.0000841600000000, 0.0002372800000000, 0.0001933300000000 ] - [ -0.0000188000000000, 0.0002114400000000, 0.0002014200000000 ] - [ -0.0014119200000000, -0.0006361100000000, -0.0005675000000000 ] - [ -0.0001658100000000, -0.0003401200000000, -0.0000515400000000 ] - [ 0.0005069300000000, 0.0001194000000000, -0.0002485300000000 ] - [ 0.0005707200000000, -0.0006379900000000, -0.0000124500000000 ] - [ 0.0013452700000000, -0.0012637900000000, -0.0014734000000000 ] - [ 0.0001725300000000, 0.0002433100000000, 0.0000784200000000 ] - [ -0.0006554500000000, -0.0002786600000000, -0.0012105200000000 ] - [ -0.0000640100000000, 0.0003016100000000, -0.0002278200000000 ] - [ 0.0001580700000000, -0.0004859700000000, 0.0006404500000000 ] - [ -0.0001211300000000, -0.0004180000000000, -0.0000737300000000 ] - [ -0.0004320000000000, 0.0002406400000000, 0.0004929600000000 ] - [ 0.0000779900000000, -0.0005927800000000, 0.0002163900000000 ] - [ -0.0061227200000000, -0.0003227700000000, -0.0030024200000000 ] - [ -0.0000901800000000, 0.0002504400000000, 0.0000491400000000 ] - [ 0.0002364500000000, 0.0000975800000000, 0.0000301300000000 ] - [ 0.0000803200000000, 0.0001775800000000, 0.0002076500000000 ] - [ -0.0005578600000000, -0.0001304800000000, -0.0014070900000000 ] - [ 0.0000749300000000, -0.0001558400000000, -0.0000569800000000 ] - [ -0.0000058600000000, 0.0001115500000000, -0.0000802600000000 ] - [ -0.0000937300000000, -0.0003549100000000, -0.0000728200000000 ] - [ 0.0039069900000000, -0.0013906500000000, 0.0029179300000000 ] - [ 0.0000228900000000, 0.0002333000000000, -0.0000669400000000 ] - [ 0.0000568600000000, -0.0000484200000000, 0.0001836300000000 ] - [ -0.0000013000000000, 0.0002247100000000, 0.0001679300000000 ] - [ -0.0001695300000000, 0.0003413500000000, 0.0002826700000000 ] - [ 0.0000268000000000, -0.0001368500000000, 0.0001410400000000 ] - [ -0.0001224100000000, -0.0002233700000000, -0.0008851900000000 ] - [ -0.0000217700000000, -0.0001185300000000, -0.0002718600000000 ] - [ 0.0035563000000000, -0.0002346300000000, -0.0039226200000000 ] - [ 0.0005398400000000, 0.0000504700000000, -0.0003914400000000 ] - [ -0.0007176500000000, 0.0002296500000000, 0.0000208400000000 ] - [ -0.0004834500000000, -0.0000728000000000, 0.0003299300000000 ] - [ 0.0038809200000000, -0.0019766200000000, 0.0018475600000000 ] - [ -0.0004584700000000, 0.0001602600000000, 0.0003389200000000 ] - [ -0.0003473200000000, 0.0023982400000000, -0.0004083500000000 ] - [ 0.0004192000000000, -0.0000493900000000, -0.0002370500000000 ] - [ 0.0011266000000000, 0.0047270000000000, -0.0049935000000000 ] - [ 0.0000338700000000, 0.0000809000000000, -0.0000088000000000 ] - [ 0.0004295800000000, -0.0002111400000000, -0.0005480300000000 ] - [ -0.0000509100000000, 0.0000438900000000, -0.0000567900000000 ] - [ 0.0004920100000000, 0.0027247200000000, 0.0057454800000000 ] - [ -0.0001082000000000, 0.0000933200000000, 0.0001360200000000 ] - [ 0.0004279900000000, -0.0029316600000000, -0.0023847400000000 ] - [ 0.0001232400000000, 0.0001698300000000, -0.0001353400000000 ] - [ 0.0033777000000000, 0.0020634600000000, 0.0036714600000000 ] - [ 0.0008288700000000, -0.0000832300000000, 0.0003119700000000 ] - [ -0.0009795000000000, -0.0002528400000000, 0.0001582900000000 ] - [ -0.0008610400000000, -0.0001799700000000, -0.0002874000000000 ] - [ -0.0003368000000000, -0.0002236500000000, -0.0003755900000000 ] - [ -0.0008518300000000, 0.0002818200000000, -0.0001965800000000 ] - [ 0.0005546600000000, 0.0001952700000000, -0.0000326000000000 ] - [ 0.0008086600000000, 0.0002896500000000, -0.0000064700000000 ] - [ 0.0003806700000000, -0.0000424300000000, -0.0012901900000000 ] - [ 0.0000792900000000, -0.0002479800000000, -0.0002983000000000 ] - [ 0.0000585400000000, -0.0009854000000000, 0.0003522600000000 ] - [ -0.0000942500000000, -0.0002012200000000, 0.0001361100000000 ] - [ 0.0001745100000000, 0.0005865600000000, 0.0007963000000000 ] - [ -0.0000380600000000, 0.0003615700000000, 0.0002640400000000 ] - [ 0.0004843200000000, -0.0001820100000000, 0.0007184500000000 ] - [ -0.0000989800000000, 0.0004047800000000, 0.0000951200000000 ] - [ -0.0636052800000000, -0.0212326000000000, 0.1271283000000000 ] - [ -0.0005828900000000, 0.0003921500000000, 0.0004345500000000 ] - [ 0.0009327500000000, 0.0004839300000000, -0.0004104300000000 ] - [ 0.0008219000000000, -0.0000404100000000, -0.0004476100000000 ] - [ -0.0084286900000000, -0.0002689900000000, -0.0114773400000000 ] - [ 0.0005912400000000, -0.0001752000000000, -0.0004363500000000 ] - [ -0.0001069900000000, -0.0004307500000000, -0.0003138800000000 ] - [ -0.0005792800000000, -0.0002610100000000, 0.0002931100000000 ] - [ -0.0012481100000000, 0.0009519100000000, 0.0079873000000000 ] - [ -0.0001080400000000, 0.0008159000000000, 0.0003622900000000 ] - [ -0.0007895800000000, 0.0009283100000000, -0.0000121300000000 ] - [ 0.0000307800000000, 0.0011039600000000, -0.0003928900000000 ] - [ 0.0007501400000000, -0.0008145000000000, -0.0015671600000000 ] - [ 0.0001342500000000, -0.0006856900000000, -0.0004343800000000 ] - [ -0.0005725000000000, 0.0060700000000000, 0.0011407900000000 ] - [ -0.0002256900000000, -0.0002740400000000, 0.0005245400000000 ]- atom: 105 displacement: [ 0.0099998376809362, 0.0000000000000000, -0.0000569767928856 ] forces: - [ 0.0001009000000000, 0.0010743800000000, 0.0005266100000000 ] - [ -0.0000265200000000, 0.0003704600000000, 0.0000300500000000 ] - [ 0.0005819100000000, 0.0021363800000000, -0.0005416300000000 ] - [ 0.0001079900000000, -0.0000247300000000, 0.0004317900000000 ] - [ 0.0006883900000000, -0.0005293400000000, 0.0002737800000000 ] - [ 0.0000711600000000, -0.0005429200000000, -0.0000486700000000 ] - [ 0.0019629300000000, -0.0029962400000000, -0.0001787000000000 ] - [ 0.0000155000000000, -0.0005976000000000, 0.0000213000000000 ] - [ 0.0269340800000000, 0.0116950400000000, -0.0397634400000000 ] - [ -0.0001651100000000, -0.0004494400000000, 0.0000722600000000 ] - [ 0.0005410400000000, -0.0005192100000000, 0.0000986400000000 ] - [ 0.0010119800000000, -0.0003692500000000, -0.0005038500000000 ] - [ -0.0002623900000000, -0.0000394500000000, 0.0016501700000000 ] - [ 0.0002032200000000, 0.0002916600000000, 0.0000011600000000 ] - [ 0.0001739900000000, -0.0000085100000000, 0.0007097700000000 ] - [ -0.0000709600000000, 0.0003737900000000, 0.0000892700000000 ] - [ 0.0336312900000000, 0.0248381000000000, 0.0278992200000000 ] - [ -0.0001233500000000, -0.0002210400000000, -0.0003317900000000 ] - [ 0.0000982200000000, -0.0001447400000000, 0.0003035600000000 ] - [ 0.0001122500000000, -0.0001647900000000, 0.0004555400000000 ] - [ -0.0000823700000000, 0.0023637000000000, 0.0017014300000000 ] - [ 0.0001193300000000, 0.0000445600000000, 0.0003065800000000 ] - [ -0.0000751700000000, 0.0000815100000000, -0.0002433500000000 ] - [ -0.0001650000000000, 0.0003334600000000, -0.0000072300000000 ] - [ -0.0005413600000000, 0.0000931700000000, 0.0010357900000000 ] - [ -0.0003112300000000, 0.0003336700000000, 0.0002032100000000 ] - [ -0.0005878300000000, -0.0005235700000000, -0.0003773000000000 ] - [ 0.0003464600000000, 0.0004056500000000, -0.0001576100000000 ] - [ 0.0001820400000000, -0.0001717400000000, -0.0001551500000000 ] - [ 0.0002779000000000, -0.0003853100000000, -0.0001725300000000 ] - [ -0.0002963500000000, -0.0012418500000000, 0.0003148300000000 ] - [ 0.0000761300000000, -0.0000730000000000, 0.0003299200000000 ] - [ 0.0001265700000000, 0.0010838600000000, -0.0010316600000000 ] - [ 0.0001351800000000, 0.0002350700000000, -0.0000328700000000 ] - [ -0.0012321900000000, 0.0001970900000000, 0.0001063600000000 ] - [ -0.0002986200000000, 0.0002670200000000, 0.0000252300000000 ] - [ -0.0003265900000000, 0.0000836100000000, -0.0013037900000000 ] - [ -0.0001855400000000, -0.0003155400000000, -0.0000028800000000 ] - [ -0.0001827500000000, -0.0005207000000000, 0.0000063000000000 ] - [ -0.0002258900000000, -0.0000422000000000, -0.0000714700000000 ] - [ -0.0017433300000000, 0.0010523100000000, 0.0005185500000000 ] - [ 0.0000935100000000, 0.0002384600000000, 0.0000890900000000 ] - [ -0.0003320300000000, 0.0002758000000000, -0.0004916000000000 ] - [ -0.0003022500000000, 0.0001676700000000, -0.0001861600000000 ] - [ -0.0009103300000000, -0.0001985700000000, -0.0002594200000000 ] - [ -0.0002069300000000, -0.0002789000000000, -0.0002024300000000 ] - [ 0.0000057100000000, -0.0001247200000000, -0.0009151900000000 ] - [ 0.0000305200000000, -0.0004501300000000, 0.0001536000000000 ] - [ 0.0028985700000000, 0.0007715000000000, -0.0001883500000000 ] - [ -0.0000707900000000, 0.0002372500000000, 0.0000426700000000 ] - [ 0.0001852800000000, 0.0002906900000000, 0.0001672100000000 ] - [ 0.0000445600000000, 0.0001443800000000, 0.0000228900000000 ] - [ 0.0004726100000000, -0.0003679400000000, -0.0002006700000000 ] - [ 0.0000823100000000, -0.0001593600000000, -0.0000240100000000 ] - [ -0.0000498100000000, 0.0000337600000000, 0.0001030100000000 ] - [ -0.0001985900000000, -0.0004596300000000, 0.0001071700000000 ] - [ 0.0004515100000000, 0.0001194900000000, -0.0001250800000000 ] - [ 0.0000091000000000, 0.0002140500000000, -0.0001419700000000 ] - [ 0.0004919900000000, -0.0003522100000000, 0.0005014800000000 ] - [ 0.0002383500000000, 0.0002793400000000, 0.0002047900000000 ] - [ 0.0004026700000000, -0.0001319600000000, 0.0002518700000000 ] - [ 0.0000280000000000, -0.0001378400000000, 0.0001746900000000 ] - [ 0.0018992900000000, -0.0028159600000000, 0.0021479900000000 ] - [ 0.0000056500000000, -0.0001150500000000, -0.0001722900000000 ] - [ -0.0000765800000000, -0.0003851200000000, -0.0001310700000000 ] - [ 0.0005029900000000, -0.0000135100000000, -0.0003550000000000 ] - [ -0.0000837000000000, -0.0004974900000000, -0.0000058200000000 ] - [ -0.0004281400000000, 0.0001189900000000, 0.0002434100000000 ] - [ -0.0008846500000000, -0.0003912700000000, 0.0008865800000000 ] - [ -0.0004956600000000, 0.0001871800000000, 0.0003578400000000 ] - [ 0.0012688400000000, -0.0026182200000000, -0.0016471700000000 ] - [ 0.0005045800000000, 0.0002404900000000, -0.0003441900000000 ] - [ -0.0001131900000000, -0.0000422300000000, -0.0003455600000000 ] - [ 0.0000299100000000, 0.0000073000000000, -0.0000902500000000 ] - [ 0.0032407000000000, 0.0011872200000000, -0.0021728600000000 ] - [ -0.0001226900000000, 0.0000704700000000, 0.0000660400000000 ] - [ -0.0003138500000000, 0.0001165100000000, 0.0004199600000000 ] - [ -0.0000925500000000, 0.0000417000000000, 0.0000416600000000 ] - [ -0.0006389500000000, 0.0019044900000000, -0.0006783700000000 ] - [ -0.0001529100000000, 0.0000205700000000, -0.0000007300000000 ] - [ 0.0010454400000000, -0.0003430300000000, 0.0004508600000000 ] - [ 0.0008998200000000, -0.0001270000000000, 0.0002696900000000 ] - [ -0.0001091500000000, -0.0001039100000000, -0.0003946600000000 ] - [ -0.0007254200000000, -0.0001579200000000, -0.0002606800000000 ] - [ -0.0006260800000000, 0.0001155000000000, 0.0002303300000000 ] - [ -0.0008312800000000, 0.0002278900000000, -0.0002022700000000 ] - [ 0.0012780500000000, 0.0002371500000000, 0.0001100200000000 ] - [ 0.0011288700000000, 0.0000488200000000, 0.0001646400000000 ] - [ -0.0049250500000000, -0.0009290700000000, 0.0013416900000000 ] - [ 0.0000495800000000, -0.0002467000000000, -0.0002763700000000 ] - [ 0.0003333600000000, -0.0004640400000000, 0.0002473700000000 ] - [ 0.0000045300000000, -0.0003447200000000, 0.0001954000000000 ] - [ 0.0033646200000000, 0.0015727800000000, 0.0020924600000000 ] - [ -0.0000335400000000, 0.0003962100000000, 0.0002111700000000 ] - [ 0.0001310600000000, 0.0004892700000000, -0.0002470900000000 ] - [ 0.0002253300000000, 0.0002040900000000, -0.0002533200000000 ] - [ -0.0059103300000000, -0.0005890700000000, -0.0002491200000000 ] - [ -0.0006006000000000, 0.0003245200000000, 0.0004002200000000 ] - [ 0.0012163600000000, 0.0023132600000000, 0.0007608700000000 ] - [ 0.0002868600000000, 0.0004373900000000, -0.0004255500000000 ] - [ 0.0004639600000000, -0.0004018600000000, -0.0011343200000000 ] - [ 0.0005920900000000, -0.0002384200000000, -0.0004313400000000 ] - [ -0.0010741400000000, -0.0002924200000000, 0.0003633800000000 ] - [ -0.0022295400000000, 0.0002754600000000, 0.0003603300000000 ] - [ -0.0625509700000000, -0.0289358600000000, 0.0144261500000000 ] - [ -0.0001239600000000, 0.0008397000000000, 0.0003902700000000 ] - [ -0.0000258000000000, 0.0008330400000000, -0.0005552000000000 ] - [ -0.0000244800000000, 0.0007857400000000, -0.0003803200000000 ] - [ 0.0009408900000000, -0.0082842400000000, -0.0066411700000000 ] - [ 0.0001090800000000, -0.0006861700000000, -0.0004494400000000 ] - [ -0.0001514800000000, -0.0008388800000000, 0.0000388700000000 ] - [ -0.0001370200000000, -0.0007180300000000, 0.0003559600000000 ]- atom: 105 displacement: [ -0.0099998376809362, 0.0000000000000000, 0.0000569767928856 ] forces: - [ -0.0001815800000000, -0.0001636400000000, -0.0004701500000000 ] - [ -0.0000524600000000, 0.0005308900000000, 0.0000223300000000 ] - [ -0.0005053100000000, -0.0012415400000000, 0.0004945200000000 ] - [ -0.0000273700000000, 0.0009301500000000, -0.0004834400000000 ] - [ -0.0006058900000000, -0.0003763900000000, -0.0003254600000000 ] - [ 0.0000073600000000, -0.0003611300000000, -0.0000051300000000 ] - [ -0.0020757800000000, 0.0024389100000000, 0.0000972100000000 ] - [ -0.0000947500000000, -0.0003052500000000, 0.0000320300000000 ] - [ -0.0275090300000000, -0.0122265500000000, 0.0393733700000000 ] - [ -0.0002165500000000, -0.0002840100000000, 0.0000528900000000 ] - [ -0.0001618800000000, -0.0002128000000000, -0.0002262800000000 ] - [ -0.0006360600000000, -0.0003656800000000, 0.0003784200000000 ] - [ 0.0006468100000000, 0.0007782300000000, -0.0017812800000000 ] - [ 0.0001774700000000, 0.0004411300000000, -0.0001265300000000 ] - [ -0.0005534600000000, 0.0007379000000000, -0.0005902300000000 ] - [ -0.0003102400000000, 0.0003580500000000, 0.0000356400000000 ] - [ -0.0338085200000000, -0.0245888900000000, -0.0279542700000000 ] - [ -0.0001281000000000, -0.0000725200000000, -0.0003223000000000 ] - [ 0.0001530700000000, -0.0001489900000000, 0.0003482700000000 ] - [ 0.0001390500000000, -0.0001286400000000, 0.0001976700000000 ] - [ 0.0001128500000000, -0.0020350000000000, -0.0011146300000000 ] - [ 0.0001315800000000, 0.0002475000000000, 0.0003468200000000 ] - [ -0.0001758800000000, 0.0002103300000000, -0.0004114400000000 ] - [ -0.0000848500000000, -0.0000423800000000, -0.0006518400000000 ] - [ -0.0000562800000000, 0.0005747600000000, -0.0006669900000000 ] - [ -0.0002819200000000, 0.0003343300000000, 0.0001666200000000 ] - [ 0.0011828600000000, 0.0012032600000000, 0.0000034000000000 ] - [ 0.0002460300000000, 0.0002635000000000, -0.0002140500000000 ] - [ 0.0004119200000000, -0.0004941400000000, -0.0002178400000000 ] - [ 0.0003146500000000, -0.0002856300000000, -0.0001986900000000 ] - [ -0.0002962800000000, 0.0005691200000000, 0.0000612400000000 ] - [ -0.0006752300000000, -0.0005977000000000, 0.0000421100000000 ] - [ 0.0001932700000000, -0.0005627700000000, 0.0009660700000000 ] - [ 0.0001801300000000, 0.0002748600000000, -0.0000295100000000 ] - [ 0.0009222700000000, 0.0003134900000000, -0.0000458100000000 ] - [ -0.0000167100000000, 0.0002427700000000, 0.0000361200000000 ] - [ 0.0000089400000000, -0.0005948400000000, 0.0013766100000000 ] - [ -0.0001299700000000, -0.0001955500000000, 0.0000637700000000 ] - [ 0.0005004000000000, 0.0000103000000000, -0.0000684600000000 ] - [ 0.0005454000000000, -0.0004723100000000, 0.0000115200000000 ] - [ 0.0020286900000000, -0.0004548700000000, -0.0002742900000000 ] - [ 0.0001835900000000, 0.0003505500000000, 0.0001571200000000 ] - [ 0.0000543200000000, 0.0003124100000000, 0.0002451700000000 ] - [ 0.0000267200000000, 0.0004221200000000, -0.0000614700000000 ] - [ 0.0006322800000000, -0.0003913600000000, 0.0000140900000000 ] - [ -0.0000699300000000, -0.0003124000000000, -0.0000435200000000 ] - [ 0.0002718200000000, -0.0004650100000000, 0.0011664400000000 ] - [ 0.0002459100000000, -0.0001410300000000, 0.0000928700000000 ] - [ -0.0030477200000000, -0.0003713900000000, 0.0002482500000000 ] - [ -0.0000828000000000, 0.0001596000000000, 0.0000237500000000 ] - [ -0.0000324100000000, 0.0001045900000000, -0.0002352500000000 ] - [ 0.0001091100000000, 0.0002529800000000, -0.0000902800000000 ] - [ -0.0003203200000000, -0.0000296000000000, 0.0001331600000000 ] - [ 0.0000706400000000, -0.0002359100000000, -0.0000435100000000 ] - [ -0.0001035200000000, -0.0004275700000000, -0.0000358400000000 ] - [ 0.0000455700000000, 0.0000646600000000, -0.0000391800000000 ] - [ -0.0004691000000000, 0.0002069400000000, -0.0001873600000000 ] - [ -0.0000218000000000, 0.0001168900000000, -0.0001690500000000 ] - [ -0.0004796200000000, 0.0006817800000000, -0.0001920400000000 ] - [ -0.0002268800000000, 0.0000515100000000, 0.0001054900000000 ] - [ -0.0003886800000000, -0.0001976400000000, 0.0000588800000000 ] - [ -0.0000155300000000, -0.0001914400000000, 0.0001355700000000 ] - [ -0.0019313400000000, 0.0024782200000000, -0.0024596800000000 ] - [ -0.0000185500000000, -0.0002141100000000, -0.0001393300000000 ] - [ 0.0010944900000000, 0.0002463300000000, -0.0005604000000000 ] - [ 0.0005071700000000, -0.0001292900000000, -0.0003223300000000 ] - [ -0.0009295100000000, 0.0003565200000000, 0.0006841900000000 ] - [ -0.0005834200000000, -0.0002632800000000, 0.0004335100000000 ] - [ -0.0001192800000000, 0.0005371200000000, -0.0002150400000000 ] - [ -0.0005145500000000, -0.0000424300000000, 0.0003185000000000 ] - [ -0.0002889200000000, 0.0027717700000000, 0.0009908300000000 ] - [ 0.0005051000000000, -0.0000968300000000, -0.0003328600000000 ] - [ 0.0002692200000000, 0.0000664200000000, 0.0002528500000000 ] - [ 0.0001258300000000, 0.0000155800000000, -0.0000016500000000 ] - [ -0.0034161900000000, -0.0011942800000000, 0.0022940000000000 ] - [ -0.0000330800000000, -0.0000476100000000, 0.0000260200000000 ] - [ 0.0001702300000000, -0.0001281800000000, -0.0003123700000000 ] - [ -0.0000632900000000, -0.0000628400000000, 0.0000509800000000 ] - [ 0.0007973200000000, -0.0019373400000000, 0.0005879300000000 ] - [ 0.0003094700000000, -0.0000414000000000, -0.0000938200000000 ] - [ 0.0006710300000000, 0.0000016700000000, 0.0000128800000000 ] - [ 0.0008151000000000, -0.0002120900000000, 0.0001931200000000 ] - [ -0.0016116100000000, -0.0002403500000000, -0.0000646300000000 ] - [ -0.0009911800000000, -0.0001816800000000, -0.0002019400000000 ] - [ -0.0010898500000000, 0.0002232000000000, -0.0006958800000000 ] - [ -0.0008851400000000, 0.0001144600000000, -0.0002603600000000 ] - [ 0.0004366200000000, 0.0001048000000000, 0.0003507200000000 ] - [ 0.0005851300000000, 0.0002944200000000, 0.0002955800000000 ] - [ 0.0050650600000000, 0.0003338000000000, -0.0017017600000000 ] - [ 0.0000677100000000, -0.0004201800000000, -0.0001789100000000 ] - [ -0.0004521300000000, -0.0002037200000000, 0.0002064900000000 ] - [ -0.0001222700000000, -0.0003214700000000, 0.0002594000000000 ] - [ -0.0035408800000000, -0.0009245800000000, -0.0016661300000000 ] - [ -0.0000836800000000, 0.0002720300000000, 0.0002438200000000 ] - [ -0.0000146400000000, 0.0001793900000000, -0.0002079100000000 ] - [ -0.0001113700000000, 0.0004677300000000, -0.0001999300000000 ] - [ 0.0047588400000000, 0.0011824400000000, 0.0009475700000000 ] - [ -0.0005767600000000, 0.0002387900000000, 0.0004225400000000 ] - [ -0.0000368200000000, -0.0017457000000000, -0.0015886300000000 ] - [ 0.0008926600000000, 0.0001236700000000, -0.0003979600000000 ] - [ 0.0007110000000000, -0.0001640400000000, 0.0003100100000000 ] - [ 0.0005853800000000, -0.0003226100000000, -0.0003920000000000 ] - [ -0.0001008200000000, -0.0002670200000000, 0.0004584700000000 ] - [ 0.0010523900000000, -0.0008776200000000, 0.0005139200000000 ] - [ 0.0627448500000000, 0.0291503300000000, -0.0136493400000000 ] - [ -0.0001056200000000, 0.0006895500000000, 0.0003722900000000 ] - [ 0.0002546800000000, 0.0006978800000000, -0.0002066500000000 ] - [ 0.0002542000000000, 0.0007444800000000, -0.0003828700000000 ] - [ -0.0007023400000000, 0.0068770400000000, 0.0059752700000000 ] - [ 0.0001205400000000, -0.0008419800000000, -0.0003141100000000 ] - [ -0.0000785400000000, -0.0006870600000000, 0.0007274300000000 ] - [ -0.0000925600000000, -0.0008089000000000, 0.0004068800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001847100000000, 0.0021181000000000, 0.0000898000000000 ] - [ -0.0000277200000000, -0.0002400700000000, 0.0000055700000000 ] - [ 0.0008116700000000, -0.0012029000000000, -0.0001229800000000 ] - [ 0.0002411300000000, -0.0005278600000000, 0.0011410500000000 ] - [ -0.0001648100000000, -0.0002979700000000, 0.0004176700000000 ] - [ 0.0000776800000000, -0.0011249900000000, -0.0001144100000000 ] - [ 0.0028958500000000, 0.0571541500000000, -0.0220176600000000 ] - [ -0.0000424000000000, -0.0014738900000000, -0.0000245000000000 ] - [ 0.0118519600000000, 0.0185282000000000, -0.0226425500000000 ] - [ -0.0002149300000000, -0.0009802600000000, 0.0001099300000000 ] - [ 0.0008585900000000, -0.0013177900000000, 0.0007083000000000 ] - [ 0.0003920000000000, -0.0010231500000000, -0.0014389200000000 ] - [ 0.0005375100000000, 0.0023445400000000, -0.0015844000000000 ] - [ 0.0001387400000000, -0.0000927900000000, 0.0000708300000000 ] - [ 0.0001794900000000, -0.0003204700000000, 0.0008212700000000 ] - [ -0.0000607700000000, -0.0000440700000000, -0.0002342700000000 ] - [ 0.0295630600000000, 0.0393662400000000, 0.0317565100000000 ] - [ -0.0002187000000000, -0.0008038800000000, -0.0003739600000000 ] - [ 0.0001302400000000, -0.0001636300000000, 0.0003388300000000 ] - [ 0.0002926300000000, -0.0006401900000000, 0.0003746700000000 ] - [ 0.0001926200000000, 0.0032349200000000, -0.0000552400000000 ] - [ 0.0000281500000000, -0.0005286500000000, 0.0002237300000000 ] - [ -0.0001311700000000, -0.0002467800000000, -0.0001368700000000 ] - [ 0.0002682100000000, -0.0003688100000000, -0.0017126300000000 ] - [ -0.0003947600000000, 0.0005166600000000, 0.0004743700000000 ] - [ -0.0004022900000000, -0.0004750400000000, 0.0000857700000000 ] - [ -0.0010826500000000, 0.0011874200000000, -0.0010462500000000 ] - [ 0.0006310600000000, -0.0003583900000000, -0.0001162000000000 ] - [ 0.0006282600000000, 0.0009143900000000, -0.0001807900000000 ] - [ 0.0001961600000000, -0.0009341600000000, -0.0001414100000000 ] - [ -0.0006261300000000, -0.0013810500000000, -0.0007242700000000 ] - [ -0.0004030800000000, -0.0011494100000000, 0.0007054600000000 ] - [ 0.0003629400000000, 0.0014223000000000, -0.0010103200000000 ] - [ 0.0001381100000000, -0.0001597300000000, -0.0000844300000000 ] - [ -0.0002775700000000, -0.0001283200000000, 0.0001712100000000 ] - [ -0.0001074400000000, -0.0002037700000000, 0.0000410400000000 ] - [ 0.0000967300000000, 0.0006320500000000, 0.0001829600000000 ] - [ -0.0001930900000000, -0.0007321100000000, -0.0000050700000000 ] - [ -0.0004419700000000, -0.0006817500000000, 0.0000901000000000 ] - [ 0.0009863100000000, -0.0012940200000000, 0.0003216900000000 ] - [ 0.0006448200000000, 0.0024933800000000, 0.0001526000000000 ] - [ 0.0001244000000000, -0.0004102300000000, 0.0001179300000000 ] - [ 0.0000480100000000, 0.0001365800000000, 0.0001510400000000 ] - [ 0.0000617500000000, -0.0001497600000000, -0.0004463100000000 ] - [ -0.0007654600000000, 0.0001798300000000, 0.0000497100000000 ] - [ -0.0000793700000000, -0.0009543300000000, -0.0000131200000000 ] - [ -0.0001229300000000, 0.0002776500000000, 0.0015736500000000 ] - [ 0.0000996100000000, -0.0008739100000000, 0.0000653700000000 ] - [ 0.0017350200000000, -0.0003953600000000, -0.0002588800000000 ] - [ -0.0001246400000000, 0.0006254100000000, 0.0000332800000000 ] - [ 0.0002174100000000, 0.0000807400000000, 0.0003234900000000 ] - [ 0.0000448000000000, 0.0004627100000000, -0.0001548200000000 ] - [ -0.0000761700000000, -0.0011169500000000, -0.0000413400000000 ] - [ 0.0000430800000000, 0.0001480000000000, -0.0000477400000000 ] - [ -0.0000068300000000, 0.0000877400000000, 0.0000995800000000 ] - [ 0.0000113500000000, -0.0000916500000000, -0.0001088700000000 ] - [ -0.0000988100000000, -0.0006997100000000, 0.0001849300000000 ] - [ 0.0000453500000000, 0.0004931100000000, -0.0001423800000000 ] - [ -0.0003019000000000, 0.0002555800000000, -0.0001006600000000 ] - [ 0.0002405000000000, 0.0006329600000000, 0.0002502800000000 ] - [ 0.0003783300000000, -0.0002258100000000, 0.0001198700000000 ] - [ 0.0000328200000000, 0.0000802000000000, 0.0001548800000000 ] - [ -0.0047070300000000, -0.0016982000000000, -0.0038815700000000 ] - [ -0.0000037700000000, 0.0001914300000000, -0.0001453000000000 ] - [ 0.0002125100000000, -0.0013100300000000, 0.0004366000000000 ] - [ 0.0005868100000000, 0.0003623800000000, -0.0004020200000000 ] - [ -0.0009418200000000, 0.0004687200000000, 0.0006588600000000 ] - [ -0.0004975600000000, 0.0002372200000000, 0.0002031700000000 ] - [ -0.0020323400000000, 0.0005164500000000, -0.0008777300000000 ] - [ -0.0004216800000000, 0.0005842300000000, 0.0003576200000000 ] - [ -0.0064919900000000, 0.0041705100000000, 0.0063147100000000 ] - [ 0.0006113000000000, 0.0008115200000000, -0.0003639700000000 ] - [ 0.0000004500000000, 0.0000118100000000, 0.0002671100000000 ] - [ 0.0001372900000000, 0.0003243000000000, 0.0000405100000000 ] - [ 0.0060203000000000, -0.0009528900000000, -0.0029902400000000 ] - [ -0.0001557700000000, 0.0005338400000000, 0.0000852000000000 ] - [ 0.0000831700000000, -0.0005663300000000, 0.0007194300000000 ] - [ -0.0000493500000000, 0.0004312100000000, 0.0000177200000000 ] - [ 0.0007865500000000, 0.0063097300000000, -0.0015215900000000 ] - [ -0.0000906100000000, 0.0006529200000000, -0.0002079300000000 ] - [ 0.0008035000000000, -0.0007165600000000, 0.0001500700000000 ] - [ 0.0007400600000000, 0.0003590700000000, 0.0005262900000000 ] - [ -0.0009075000000000, -0.0005684500000000, 0.0002749200000000 ] - [ -0.0008618600000000, 0.0002606500000000, -0.0003541500000000 ] - [ -0.0008421500000000, -0.0008645600000000, -0.0008292200000000 ] - [ -0.0008892800000000, 0.0006140200000000, -0.0000811900000000 ] - [ 0.0012462900000000, 0.0003146700000000, 0.0003479300000000 ] - [ 0.0006368300000000, 0.0006666700000000, -0.0001926600000000 ] - [ -0.0031189200000000, -0.0066523800000000, 0.0007468800000000 ] - [ 0.0001658600000000, 0.0001977800000000, -0.0003963700000000 ] - [ -0.0001214900000000, -0.0005089600000000, -0.0006517800000000 ] - [ -0.0002116500000000, 0.0001326800000000, 0.0003221800000000 ] - [ -0.0003055900000000, -0.0007675500000000, 0.0006891900000000 ] - [ 0.0000550200000000, 0.0008646400000000, 0.0001559400000000 ] - [ 0.0001080400000000, 0.0004246200000000, -0.0005727100000000 ] - [ -0.0006298300000000, 0.0013632800000000, 0.0001606300000000 ] - [ -0.0014227100000000, -0.0052676500000000, -0.0002082700000000 ] - [ -0.0004675700000000, 0.0007618300000000, 0.0003969900000000 ] - [ 0.0028336800000000, 0.0047090900000000, 0.0005335500000000 ] - [ 0.0000259400000000, 0.0010403100000000, -0.0002436700000000 ] - [ 0.0001804000000000, -0.0010602700000000, -0.0004925700000000 ] - [ 0.0006838600000000, 0.0001395400000000, -0.0004626600000000 ] - [ -0.0008678400000000, 0.0004781000000000, 0.0008348000000000 ] - [ -0.0019845100000000, -0.0046934500000000, 0.0070543100000000 ] - [ -0.0295698900000000, -0.1167279300000000, 0.0026526700000000 ] - [ -0.0000397000000000, 0.0014092800000000, 0.0004104400000000 ] - [ 0.0000910200000000, 0.0010406600000000, -0.0008519500000000 ] - [ 0.0000502900000000, 0.0010420900000000, 0.0001233600000000 ] - [ -0.0074668700000000, 0.0032443900000000, 0.0043819400000000 ] - [ 0.0001919700000000, -0.0002100200000000, -0.0005525300000000 ] - [ -0.0000373100000000, -0.0013489300000000, 0.0006693600000000 ] - [ -0.0001599800000000, -0.0003147500000000, 0.0004215800000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002613300000000, -0.0012100300000000, -0.0000355600000000 ] - [ -0.0000512100000000, 0.0011436900000000, 0.0000484400000000 ] - [ -0.0007292400000000, 0.0021145900000000, 0.0000686100000000 ] - [ -0.0001708700000000, 0.0014273100000000, -0.0012056000000000 ] - [ 0.0002483000000000, -0.0006046100000000, -0.0004737500000000 ] - [ 0.0000008700000000, 0.0002226000000000, 0.0000617700000000 ] - [ -0.0030142200000000, -0.0613669900000000, 0.0232458900000000 ] - [ -0.0000361200000000, 0.0005719100000000, 0.0000769600000000 ] - [ -0.0122736000000000, -0.0194979600000000, 0.0228873600000000 ] - [ -0.0001660300000000, 0.0002478000000000, 0.0000150900000000 ] - [ -0.0004724400000000, 0.0005846800000000, -0.0008306700000000 ] - [ -0.0000177900000000, 0.0002905100000000, 0.0013230900000000 ] - [ -0.0001625800000000, -0.0016108000000000, 0.0014699800000000 ] - [ 0.0002421700000000, 0.0008258100000000, -0.0001960300000000 ] - [ -0.0005633800000000, 0.0010609300000000, -0.0006957400000000 ] - [ -0.0003201200000000, 0.0007777900000000, 0.0003599100000000 ] - [ -0.0290719400000000, -0.0390741900000000, -0.0313871000000000 ] - [ -0.0000330400000000, 0.0005113900000000, -0.0002805600000000 ] - [ 0.0001204600000000, -0.0001310700000000, 0.0003136200000000 ] - [ -0.0000417600000000, 0.0003479800000000, 0.0002791300000000 ] - [ 0.0000286300000000, -0.0029429500000000, 0.0007049200000000 ] - [ 0.0002229000000000, 0.0008224400000000, 0.0004297100000000 ] - [ -0.0001204200000000, 0.0005403300000000, -0.0005171300000000 ] - [ -0.0005230900000000, 0.0006674900000000, 0.0010741000000000 ] - [ -0.0002038000000000, 0.0001515600000000, -0.0001107000000000 ] - [ -0.0001902800000000, 0.0011482600000000, 0.0002868300000000 ] - [ 0.0016851100000000, -0.0005259900000000, 0.0006758500000000 ] - [ -0.0000380200000000, 0.0010311800000000, -0.0002542200000000 ] - [ -0.0000357000000000, -0.0015829400000000, -0.0001931900000000 ] - [ 0.0003967800000000, 0.0002647900000000, -0.0002293100000000 ] - [ 0.0000335200000000, 0.0007039800000000, 0.0010950400000000 ] - [ -0.0001858200000000, 0.0004750100000000, -0.0003351700000000 ] - [ -0.0000359300000000, -0.0008985200000000, 0.0009350700000000 ] - [ 0.0001774400000000, 0.0006702800000000, 0.0000245600000000 ] - [ -0.0000372300000000, 0.0006424600000000, -0.0001097000000000 ] - [ -0.0002088600000000, 0.0007150700000000, 0.0000203100000000 ] - [ -0.0004151600000000, -0.0011418700000000, -0.0001285600000000 ] - [ -0.0001224900000000, 0.0002229400000000, 0.0000666300000000 ] - [ 0.0007531600000000, 0.0001732200000000, -0.0001504800000000 ] - [ -0.0006736800000000, 0.0007898100000000, -0.0003894900000000 ] - [ -0.0003721900000000, -0.0019137000000000, 0.0000922000000000 ] - [ 0.0001521100000000, 0.0010014100000000, 0.0001282100000000 ] - [ -0.0003287000000000, 0.0004539700000000, -0.0004022600000000 ] - [ -0.0003405400000000, 0.0007402600000000, 0.0002019700000000 ] - [ 0.0004798800000000, -0.0007710200000000, -0.0002907700000000 ] - [ -0.0001974700000000, 0.0003645100000000, -0.0002333600000000 ] - [ 0.0004024700000000, -0.0008668900000000, -0.0013291100000000 ] - [ 0.0001766200000000, 0.0002842800000000, 0.0001814500000000 ] - [ -0.0019042200000000, 0.0007874900000000, 0.0003228300000000 ] - [ -0.0000287200000000, -0.0002294300000000, 0.0000340300000000 ] - [ -0.0000648400000000, 0.0003176600000000, -0.0003936900000000 ] - [ 0.0001083300000000, -0.0000679500000000, 0.0000883500000000 ] - [ 0.0002327900000000, 0.0007210900000000, -0.0000285800000000 ] - [ 0.0001099900000000, -0.0005436500000000, -0.0000192700000000 ] - [ -0.0001463100000000, -0.0004820500000000, -0.0000326700000000 ] - [ -0.0001665900000000, -0.0003040700000000, 0.0001736600000000 ] - [ 0.0000914400000000, 0.0010334200000000, -0.0004963900000000 ] - [ -0.0000579200000000, -0.0001630500000000, -0.0001685900000000 ] - [ 0.0003169700000000, 0.0000702000000000, 0.0004136000000000 ] - [ -0.0002309600000000, -0.0003044900000000, 0.0000606800000000 ] - [ -0.0003589600000000, -0.0001021200000000, 0.0001954200000000 ] - [ -0.0000204800000000, -0.0004097100000000, 0.0001555800000000 ] - [ 0.0047449800000000, 0.0013900100000000, 0.0035997100000000 ] - [ -0.0000089900000000, -0.0005209600000000, -0.0001658500000000 ] - [ 0.0008018100000000, 0.0011705900000000, -0.0011238300000000 ] - [ 0.0004234500000000, -0.0005055000000000, -0.0002749500000000 ] - [ -0.0000659700000000, -0.0006136900000000, 0.0000148900000000 ] - [ -0.0005116500000000, -0.0003794700000000, 0.0004746800000000 ] - [ 0.0010323200000000, -0.0003857000000000, 0.0015627300000000 ] - [ -0.0005885800000000, -0.0004410000000000, 0.0003188500000000 ] - [ 0.0076104000000000, -0.0040703400000000, -0.0070972400000000 ] - [ 0.0003992700000000, -0.0006664100000000, -0.0003132000000000 ] - [ 0.0001546500000000, 0.0000121700000000, -0.0003608800000000 ] - [ 0.0000183400000000, -0.0003000500000000, -0.0001346000000000 ] - [ -0.0062288000000000, 0.0009867000000000, 0.0031087700000000 ] - [ 0.0000000100000000, -0.0005114300000000, 0.0000077400000000 ] - [ -0.0002258700000000, 0.0005630700000000, -0.0006040100000000 ] - [ -0.0001067900000000, -0.0004536000000000, 0.0000750500000000 ] - [ -0.0006188500000000, -0.0062731700000000, 0.0014092900000000 ] - [ 0.0002477300000000, -0.0006748400000000, 0.0001171700000000 ] - [ 0.0009135500000000, 0.0003755400000000, 0.0003205400000000 ] - [ 0.0009767000000000, -0.0007007100000000, -0.0000660200000000 ] - [ -0.0008071700000000, 0.0002307100000000, -0.0007398900000000 ] - [ -0.0008535700000000, -0.0006019600000000, -0.0001081800000000 ] - [ -0.0008725800000000, 0.0012055400000000, 0.0003707500000000 ] - [ -0.0008268500000000, -0.0002726900000000, -0.0003818300000000 ] - [ 0.0004711200000000, 0.0000285400000000, 0.0001124000000000 ] - [ 0.0010765300000000, -0.0003244700000000, 0.0006590100000000 ] - [ 0.0033194100000000, 0.0059934600000000, -0.0010682500000000 ] - [ -0.0000489700000000, -0.0008632900000000, -0.0000590300000000 ] - [ 0.0000050200000000, -0.0001587800000000, 0.0011130900000000 ] - [ 0.0000949100000000, -0.0008002600000000, 0.0001325800000000 ] - [ 0.0002040500000000, 0.0014468100000000, -0.0002214600000000 ] - [ -0.0001721500000000, -0.0001976200000000, 0.0002993300000000 ] - [ 0.0000108000000000, 0.0002423600000000, 0.0001181600000000 ] - [ 0.0007532200000000, -0.0007041000000000, -0.0006170200000000 ] - [ 0.0003278900000000, 0.0058445100000000, 0.0008802800000000 ] - [ -0.0007105000000000, -0.0002000400000000, 0.0004254700000000 ] - [ -0.0017057200000000, -0.0042171600000000, -0.0013854800000000 ] - [ 0.0011493100000000, -0.0004785100000000, -0.0005792800000000 ] - [ 0.0009934700000000, 0.0004971400000000, -0.0003289000000000 ] - [ 0.0004935000000000, -0.0007010900000000, -0.0003603200000000 ] - [ -0.0003121100000000, -0.0010404400000000, -0.0000123700000000 ] - [ 0.0008406400000000, 0.0042010900000000, -0.0063421700000000 ] - [ 0.0284727800000000, 0.1210788900000000, -0.0040358300000000 ] - [ -0.0001901500000000, 0.0001189500000000, 0.0003530700000000 ] - [ 0.0001376000000000, 0.0004871300000000, 0.0000881900000000 ] - [ 0.0001798000000000, 0.0004885900000000, -0.0008889600000000 ] - [ 0.0076396700000000, -0.0047711600000000, -0.0051024700000000 ] - [ 0.0000384700000000, -0.0013185200000000, -0.0002085600000000 ] - [ -0.0001925900000000, -0.0001755100000000, 0.0000839600000000 ] - [ -0.0000694300000000, -0.0012133800000000, 0.0003416500000000 ]- atom: 105 displacement: [ -0.0032195638968342, 0.0000000000000000, 0.0094675449993228 ] forces: - [ 0.0016557400000000, -0.0001068700000000, -0.0026956700000000 ] - [ -0.0000238700000000, 0.0004810900000000, -0.0000330800000000 ] - [ -0.0002514300000000, -0.0012983500000000, 0.0006225800000000 ] - [ 0.0003305500000000, 0.0007521700000000, 0.0006258600000000 ] - [ -0.0002576000000000, 0.0004759600000000, -0.0015317700000000 ] - [ 0.0000371100000000, -0.0006607100000000, -0.0001226400000000 ] - [ -0.0016986100000000, -0.0123107900000000, 0.0082183400000000 ] - [ -0.0000561800000000, -0.0004396600000000, 0.0001836000000000 ] - [ -0.0490010300000000, -0.0260844600000000, 0.0989170900000000 ] - [ -0.0001906600000000, -0.0003609000000000, 0.0001225100000000 ] - [ 0.0003552900000000, -0.0000273100000000, 0.0001975400000000 ] - [ -0.0002365200000000, -0.0010545800000000, 0.0001157600000000 ] - [ 0.0012114000000000, 0.0004645100000000, -0.0022545500000000 ] - [ 0.0001935100000000, 0.0004350100000000, -0.0001419000000000 ] - [ -0.0000046400000000, 0.0009775300000000, -0.0011482300000000 ] - [ -0.0001890700000000, 0.0003288500000000, -0.0001199700000000 ] - [ 0.0236688700000000, 0.0239682900000000, 0.0399104200000000 ] - [ -0.0000716900000000, -0.0001007500000000, -0.0002322000000000 ] - [ 0.0000076000000000, -0.0004843500000000, -0.0005640900000000 ] - [ 0.0000798800000000, -0.0001016700000000, -0.0000435400000000 ] - [ -0.0004234000000000, 0.0000626400000000, 0.0028165600000000 ] - [ 0.0001696500000000, 0.0001442600000000, 0.0004430300000000 ] - [ -0.0001534400000000, 0.0003088500000000, -0.0004427700000000 ] - [ -0.0000409600000000, -0.0000379200000000, -0.0010800500000000 ] - [ 0.0009674800000000, 0.0012792100000000, -0.0004361900000000 ] - [ -0.0002899200000000, 0.0001852800000000, 0.0000889500000000 ] - [ 0.0002850900000000, 0.0007034100000000, 0.0006807100000000 ] - [ 0.0002837500000000, 0.0003082000000000, -0.0000513400000000 ] - [ -0.0001318000000000, 0.0000083000000000, -0.0012096200000000 ] - [ 0.0002904400000000, -0.0003639700000000, -0.0002497300000000 ] - [ -0.0003243600000000, -0.0010414600000000, 0.0007892000000000 ] - [ -0.0009201800000000, 0.0004778800000000, 0.0003730200000000 ] - [ -0.0003391300000000, -0.0000413500000000, -0.0015990500000000 ] - [ 0.0001401400000000, 0.0002970700000000, -0.0002036000000000 ] - [ -0.0001908400000000, 0.0005713500000000, -0.0000075000000000 ] - [ -0.0000922500000000, 0.0001073500000000, 0.0000654500000000 ] - [ -0.0009151600000000, -0.0005678400000000, -0.0001460500000000 ] - [ -0.0001642900000000, -0.0002710600000000, 0.0000053000000000 ] - [ 0.0002661600000000, -0.0000019600000000, 0.0003087700000000 ] - [ 0.0008122200000000, -0.0008594500000000, 0.0004080200000000 ] - [ 0.0011568500000000, -0.0008199600000000, 0.0004597400000000 ] - [ 0.0001635700000000, 0.0002694800000000, 0.0001733200000000 ] - [ -0.0006848500000000, 0.0006024800000000, -0.0001155500000000 ] - [ -0.0000843600000000, 0.0001203000000000, -0.0001630400000000 ] - [ -0.0006504000000000, -0.0005677300000000, 0.0001205000000000 ] - [ -0.0001204400000000, -0.0002206300000000, -0.0001655100000000 ] - [ -0.0002113400000000, -0.0003288400000000, -0.0012621100000000 ] - [ 0.0001164600000000, -0.0003280600000000, 0.0000753300000000 ] - [ -0.0035523300000000, -0.0007562700000000, -0.0015772200000000 ] - [ -0.0000761600000000, 0.0002095500000000, -0.0000034700000000 ] - [ 0.0001498000000000, 0.0003825700000000, -0.0000408000000000 ] - [ 0.0001017700000000, 0.0000337000000000, -0.0000564700000000 ] - [ -0.0000172900000000, -0.0000005700000000, -0.0001376100000000 ] - [ 0.0000820100000000, -0.0002315500000000, -0.0000235700000000 ] - [ -0.0000768800000000, -0.0001476300000000, 0.0001610500000000 ] - [ -0.0001397000000000, -0.0004561000000000, 0.0003994100000000 ] - [ -0.0003001000000000, 0.0003902700000000, 0.0002922900000000 ] - [ -0.0000235200000000, 0.0001422700000000, -0.0001643800000000 ] - [ -0.0004389400000000, 0.0002092500000000, -0.0004460500000000 ] - [ -0.0000010200000000, 0.0002241800000000, 0.0000301600000000 ] - [ 0.0002400000000000, -0.0001621900000000, 0.0006590500000000 ] - [ 0.0000531000000000, -0.0001537400000000, 0.0002360000000000 ] - [ 0.0035206500000000, -0.0027028100000000, 0.0016285300000000 ] - [ 0.0000102300000000, -0.0001440700000000, -0.0001641400000000 ] - [ -0.0009234100000000, -0.0011109000000000, 0.0032012100000000 ] - [ 0.0004788400000000, -0.0000937000000000, -0.0003013500000000 ] - [ -0.0009912200000000, 0.0004231600000000, 0.0008364000000000 ] - [ -0.0006804000000000, -0.0002946300000000, 0.0004296400000000 ] - [ 0.0024010700000000, -0.0021129800000000, 0.0019963500000000 ] - [ -0.0004758000000000, 0.0001294400000000, 0.0003008100000000 ] - [ -0.0015350000000000, 0.0046483700000000, -0.0004089200000000 ] - [ 0.0005205000000000, 0.0000064400000000, -0.0003717800000000 ] - [ -0.0000691900000000, -0.0001462800000000, 0.0006670000000000 ] - [ 0.0000060600000000, -0.0000483900000000, 0.0001391600000000 ] - [ -0.0048361000000000, -0.0012963400000000, 0.0017950200000000 ] - [ -0.0000772800000000, 0.0000178200000000, 0.0000353400000000 ] - [ 0.0020694900000000, 0.0025369600000000, 0.0048875400000000 ] - [ -0.0000761600000000, -0.0000673600000000, 0.0000689000000000 ] - [ 0.0001543500000000, -0.0012112300000000, -0.0029868900000000 ] - [ 0.0002058500000000, 0.0001166400000000, -0.0003934000000000 ] - [ 0.0010423900000000, -0.0001485800000000, 0.0006557800000000 ] - [ 0.0008066500000000, -0.0000896600000000, 0.0003524900000000 ] - [ -0.0011702600000000, 0.0000182500000000, -0.0010681100000000 ] - [ -0.0008745500000000, -0.0001250400000000, -0.0003523800000000 ] - [ -0.0002121000000000, 0.0004179700000000, 0.0005756000000000 ] - [ -0.0008539100000000, 0.0001940500000000, -0.0001474500000000 ] - [ 0.0009404300000000, 0.0003361200000000, -0.0001154900000000 ] - [ 0.0010249200000000, 0.0000398000000000, -0.0002799600000000 ] - [ -0.0019271500000000, -0.0018905500000000, -0.0055634200000000 ] - [ 0.0000827600000000, -0.0005609000000000, -0.0001791400000000 ] - [ 0.0003054000000000, -0.0003968900000000, 0.0017413300000000 ] - [ -0.0001122700000000, -0.0002322700000000, 0.0003557500000000 ] - [ -0.0000902100000000, 0.0005521000000000, -0.0006015300000000 ] - [ -0.0000611200000000, 0.0003506300000000, 0.0001711000000000 ] - [ 0.0000353200000000, -0.0000080800000000, -0.0003212500000000 ] - [ -0.0001749100000000, 0.0007237400000000, 0.0001475700000000 ] - [ 0.0043567300000000, 0.0026097500000000, -0.0058842000000000 ] - [ -0.0005923400000000, 0.0003274400000000, 0.0004315500000000 ] - [ 0.0020577400000000, 0.0004148600000000, -0.0005860700000000 ] - [ 0.0006291800000000, 0.0001985100000000, -0.0004157400000000 ] - [ 0.0003344100000000, -0.0003806900000000, 0.0008997100000000 ] - [ 0.0005838700000000, -0.0002887800000000, -0.0003537800000000 ] - [ -0.0003947300000000, 0.0000243900000000, 0.0002982900000000 ] - [ -0.0003087000000000, -0.0030029800000000, -0.0003507100000000 ] - [ 0.0309653600000000, 0.0121091600000000, -0.1420981000000000 ] - [ -0.0001034500000000, 0.0007674100000000, 0.0003127300000000 ] - [ 0.0001608800000000, 0.0002659500000000, -0.0001925700000000 ] - [ -0.0000038400000000, 0.0012003700000000, -0.0002475900000000 ] - [ -0.0061209100000000, 0.0061753700000000, 0.0010272100000000 ] - [ 0.0000521200000000, -0.0009523400000000, -0.0004602500000000 ] - [ -0.0004234500000000, -0.0010158500000000, 0.0013709100000000 ] - [ -0.0001308000000000, -0.0008159700000000, 0.0004880600000000 ]- atom: 105 displacement: [ 0.0032195638968342, 0.0000000000000000, -0.0094675449993228 ] forces: - [ -0.0017352500000000, 0.0010340300000000, 0.0027687500000000 ] - [ -0.0000545800000000, 0.0004205500000000, 0.0000863300000000 ] - [ 0.0003280800000000, 0.0022120400000000, -0.0006759100000000 ] - [ -0.0002462500000000, 0.0001504000000000, -0.0006684600000000 ] - [ 0.0003530500000000, -0.0013921700000000, 0.0014926200000000 ] - [ 0.0000424800000000, -0.0002422100000000, 0.0000690200000000 ] - [ 0.0017081600000000, 0.0114438300000000, -0.0083458200000000 ] - [ -0.0000222300000000, -0.0004629400000000, -0.0001308100000000 ] - [ 0.0510326200000000, 0.0269663500000000, -0.1040647200000000 ] - [ -0.0001904500000000, -0.0003728700000000, 0.0000022700000000 ] - [ 0.0000241600000000, -0.0007046600000000, -0.0003268300000000 ] - [ 0.0006201400000000, 0.0003214400000000, -0.0002485700000000 ] - [ -0.0008320400000000, 0.0002605200000000, 0.0021453600000000 ] - [ 0.0001878200000000, 0.0002977700000000, 0.0000167900000000 ] - [ -0.0003688500000000, -0.0002517900000000, 0.0012684200000000 ] - [ -0.0001915600000000, 0.0004032000000000, 0.0002461700000000 ] - [ -0.0233080300000000, -0.0236506100000000, -0.0398889700000000 ] - [ -0.0001796200000000, -0.0001926100000000, -0.0004217200000000 ] - [ 0.0002444400000000, 0.0001977100000000, 0.0012228600000000 ] - [ 0.0001719200000000, -0.0001915700000000, 0.0006988400000000 ] - [ 0.0006430200000000, 0.0002422600000000, -0.0021743200000000 ] - [ 0.0000817600000000, 0.0001473400000000, 0.0002105200000000 ] - [ -0.0000969300000000, -0.0000179400000000, -0.0002115700000000 ] - [ -0.0002094900000000, 0.0003298100000000, 0.0004213200000000 ] - [ -0.0015929500000000, -0.0006254000000000, 0.0007969800000000 ] - [ -0.0003029400000000, 0.0004841200000000, 0.0002810600000000 ] - [ 0.0003027400000000, -0.0000328500000000, -0.0010539700000000 ] - [ 0.0003089500000000, 0.0003626900000000, -0.0003205800000000 ] - [ 0.0007290200000000, -0.0006794300000000, 0.0008429800000000 ] - [ 0.0003025600000000, -0.0003066200000000, -0.0001212700000000 ] - [ -0.0002660000000000, 0.0003640400000000, -0.0004123400000000 ] - [ 0.0003165200000000, -0.0011475300000000, -0.0000007000000000 ] - [ 0.0006515400000000, 0.0005496000000000, 0.0015278900000000 ] - [ 0.0001753100000000, 0.0002129400000000, 0.0001418100000000 ] - [ -0.0001221100000000, -0.0000622200000000, 0.0000708600000000 ] - [ -0.0002242500000000, 0.0004026500000000, -0.0000044200000000 ] - [ 0.0006021400000000, 0.0000614700000000, 0.0002007600000000 ] - [ -0.0001511800000000, -0.0002399200000000, 0.0000556800000000 ] - [ 0.0000511500000000, -0.0005084500000000, -0.0003702400000000 ] - [ -0.0004973500000000, 0.0003491100000000, -0.0004702800000000 ] - [ -0.0008824900000000, 0.0014184600000000, -0.0002157900000000 ] - [ 0.0001138500000000, 0.0003196800000000, 0.0000724600000000 ] - [ 0.0004116400000000, -0.0000160800000000, -0.0001329100000000 ] - [ -0.0001927300000000, 0.0004691900000000, -0.0000853200000000 ] - [ 0.0003629900000000, -0.0000224200000000, -0.0003629500000000 ] - [ -0.0001564500000000, -0.0003704400000000, -0.0000803900000000 ] - [ 0.0004879300000000, -0.0002602000000000, 0.0015184900000000 ] - [ 0.0001605500000000, -0.0002628300000000, 0.0001711500000000 ] - [ 0.0034401300000000, 0.0011593600000000, 0.0016652000000000 ] - [ -0.0000769900000000, 0.0001870600000000, 0.0000702000000000 ] - [ 0.0000044400000000, 0.0000124700000000, -0.0000239400000000 ] - [ 0.0000520000000000, 0.0003639100000000, -0.0000102500000000 ] - [ 0.0001750800000000, -0.0003986400000000, 0.0000681300000000 ] - [ 0.0000713500000000, -0.0001639200000000, -0.0000439400000000 ] - [ -0.0000762800000000, -0.0002474300000000, -0.0000946900000000 ] - [ -0.0000112300000000, 0.0000621200000000, -0.0003323600000000 ] - [ 0.0002923600000000, -0.0000649600000000, -0.0005980600000000 ] - [ 0.0000112700000000, 0.0001884400000000, -0.0001465700000000 ] - [ 0.0004542000000000, 0.0001181800000000, 0.0007608300000000 ] - [ 0.0000146600000000, 0.0001078800000000, 0.0002814200000000 ] - [ -0.0002261500000000, -0.0001676900000000, -0.0003479700000000 ] - [ -0.0000401900000000, -0.0001757200000000, 0.0000741900000000 ] - [ -0.0035457100000000, 0.0023790700000000, -0.0019630500000000 ] - [ -0.0000228900000000, -0.0001855800000000, -0.0001473600000000 ] - [ 0.0019250700000000, 0.0009590700000000, -0.0038593300000000 ] - [ 0.0005317700000000, -0.0000495600000000, -0.0003761300000000 ] - [ -0.0000171600000000, -0.0005694800000000, -0.0001615100000000 ] - [ -0.0003316100000000, 0.0001519200000000, 0.0002467500000000 ] - [ -0.0034484200000000, 0.0022782000000000, -0.0013295700000000 ] - [ -0.0005343600000000, 0.0000154500000000, 0.0003762000000000 ] - [ 0.0025370800000000, -0.0045306900000000, -0.0002346900000000 ] - [ 0.0004895700000000, 0.0001374000000000, -0.0003052700000000 ] - [ 0.0002263400000000, 0.0001730100000000, -0.0007689100000000 ] - [ 0.0001501300000000, 0.0000702200000000, -0.0002312300000000 ] - [ 0.0046693700000000, 0.0012994900000000, -0.0017066600000000 ] - [ -0.0000783300000000, 0.0000045400000000, 0.0000570800000000 ] - [ -0.0022564000000000, -0.0025979500000000, -0.0048443600000000 ] - [ -0.0000795100000000, 0.0000459400000000, 0.0000238200000000 ] - [ 0.0000006000000000, 0.0011931300000000, 0.0029125300000000 ] - [ -0.0000509700000000, -0.0001375100000000, 0.0002987300000000 ] - [ 0.0006743900000000, -0.0001914400000000, -0.0001914300000000 ] - [ 0.0009096100000000, -0.0002502700000000, 0.0001098400000000 ] - [ -0.0005456300000000, -0.0003591500000000, 0.0006054000000000 ] - [ -0.0008404200000000, -0.0002151300000000, -0.0001103300000000 ] - [ -0.0015064600000000, -0.0000801300000000, -0.0010410500000000 ] - [ -0.0008620000000000, 0.0001474000000000, -0.0003153200000000 ] - [ 0.0007775800000000, 0.0000095200000000, 0.0005718500000000 ] - [ 0.0006902300000000, 0.0003030900000000, 0.0007425000000000 ] - [ 0.0021478200000000, 0.0013129100000000, 0.0050860200000000 ] - [ 0.0000352900000000, -0.0001064300000000, -0.0002766500000000 ] - [ -0.0004258200000000, -0.0002699700000000, -0.0012948000000000 ] - [ -0.0000042700000000, -0.0004351600000000, 0.0000985400000000 ] - [ -0.0000087100000000, 0.0001232100000000, 0.0010704100000000 ] - [ -0.0000555200000000, 0.0003173200000000, 0.0002839700000000 ] - [ 0.0000829800000000, 0.0006789900000000, -0.0001321900000000 ] - [ 0.0002913200000000, -0.0000550000000000, -0.0006032500000000 ] - [ -0.0055068200000000, -0.0019986200000000, 0.0066589700000000 ] - [ -0.0005849300000000, 0.0002349200000000, 0.0003914500000000 ] - [ -0.0008609500000000, 0.0001744700000000, -0.0002298600000000 ] - [ 0.0005489700000000, 0.0003627000000000, -0.0004075200000000 ] - [ 0.0008389700000000, -0.0001826700000000, -0.0017356000000000 ] - [ 0.0005937500000000, -0.0002727500000000, -0.0004697200000000 ] - [ -0.0007837000000000, -0.0005852800000000, 0.0005227000000000 ] - [ -0.0008825500000000, 0.0023564800000000, 0.0012465300000000 ] - [ -0.0343472900000000, -0.0129289200000000, 0.1476661800000000 ] - [ -0.0001257500000000, 0.0007614200000000, 0.0004501300000000 ] - [ 0.0000667500000000, 0.0012660500000000, -0.0005706800000000 ] - [ 0.0002344200000000, 0.0003252300000000, -0.0005126300000000 ] - [ 0.0063357700000000, -0.0076677200000000, -0.0018260900000000 ] - [ 0.0001775300000000, -0.0005771700000000, -0.0003041400000000 ] - [ 0.0001937000000000, -0.0005117500000000, -0.0006073100000000 ] - [ -0.0000983100000000, -0.0007112600000000, 0.0002743200000000 ]