# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1abd3b58-7681-4556-b5b0-78f9156d5c7f/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 BaH4(ClO)2 / P2_1/c (14) / materials id 690703](https://mdr.nims.go.jp/datasets/9a500bed-7e34-438d-a7ce-d935e8b4b2ef) ## 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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.706441440000000, 0.000000000000000, -0.014858980000000 ] # a - [ 0.000000000000000, 10.821950540000000, 0.000000000000000 ] # b - [ -6.584553500000000, 0.000000000000000, 6.970897820000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.891790840000000, 0.216151530000000, 0.353047450000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.891790840000000, 0.283848470000000, 0.853047450000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.108209160000000, 0.783848470000000, 0.646952550000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.108209160000000, 0.716151530000000, 0.146952550000000 ] mass: 137.327000 - symbol: H # 5 coordinates: [ 0.479483820000000, 0.439998220000000, 0.122701470000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.479483820000000, 0.060001780000000, 0.622701470000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.520516180000000, 0.560001780000000, 0.877298530000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.520516180000000, 0.939998220000000, 0.377298530000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.423454680000000, 0.374754380000000, 0.949638800000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.423454680000000, 0.125245620000000, 0.449638800000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.576545320000000, 0.625245620000000, 0.050361200000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.576545320000000, 0.874754380000000, 0.550361200000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.489953820000000, 0.364338030000000, 0.396137910000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.489953820000000, 0.135661970000000, 0.896137910000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.510046180000000, 0.635661970000000, 0.603862090000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.510046180000000, 0.864338030000000, 0.103862090000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.764086330000000, 0.437135670000000, 0.512316840000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.764086330000000, 0.062864330000000, 0.012316840000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.235913670000000, 0.562864330000000, 0.487683160000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.235913670000000, 0.937135670000000, 0.987683160000000 ] mass: 1.007940 - symbol: Cl # 21 coordinates: [ 0.082926550000000, 0.417740220000000, 0.216158890000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.082926550000000, 0.082259780000000, 0.716158890000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.917073450000000, 0.582259780000000, 0.783841110000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.917073450000000, 0.917740220000000, 0.283841110000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.342011630000000, 0.400338590000000, 0.703329900000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.342011630000000, 0.099661410000000, 0.203329900000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.657988370000000, 0.599661410000000, 0.296670100000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.657988370000000, 0.900338590000000, 0.796670100000000 ] mass: 35.453000 - symbol: O # 29 coordinates: [ 0.433236720000000, 0.358774220000000, 0.057126670000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.433236720000000, 0.141225780000000, 0.557126670000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.566763280000000, 0.641225780000000, 0.942873330000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.566763280000000, 0.858774220000000, 0.442873330000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.694313700000000, 0.352014710000000, 0.491491970000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.694313700000000, 0.147985290000000, 0.991491970000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.305686300000000, 0.647985290000000, 0.508508030000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.305686300000000, 0.852014710000000, 0.008508030000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.149423092801135, 0.000000000000000, 0.141141697108471 ] # a* - [ 0.000000000000000, 0.092404783805268, 0.000000000000000 ] # b* - [ 0.000318506282089, 0.000000000000000, 0.143754398289904 ] # c*unit_cell: lattice: - [ 6.706441440000000, 0.000000000000000, -0.014858980000000 ] # a - [ 0.000000000000000, 10.821950540000000, 0.000000000000000 ] # b - [ -6.584553500000000, 0.000000000000000, 6.970897820000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.891790840000000, 0.216151530000000, 0.353047450000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.891790840000000, 0.283848470000000, 0.853047450000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.108209160000000, 0.783848470000000, 0.646952550000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.108209160000000, 0.716151530000000, 0.146952550000000 ] mass: 137.327000 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.479483820000000, 0.439998220000000, 0.122701470000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.479483820000000, 0.060001780000000, 0.622701470000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.520516180000000, 0.560001780000000, 0.877298530000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.520516180000000, 0.939998220000000, 0.377298530000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.423454680000000, 0.374754380000000, 0.949638800000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.423454680000000, 0.125245620000000, 0.449638800000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.576545320000000, 0.625245620000000, 0.050361200000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.576545320000000, 0.874754380000000, 0.550361200000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.489953820000000, 0.364338030000000, 0.396137910000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.489953820000000, 0.135661970000000, 0.896137910000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.510046180000000, 0.635661970000000, 0.603862090000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.510046180000000, 0.864338030000000, 0.103862090000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.764086330000000, 0.437135670000000, 0.512316840000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.764086330000000, 0.062864330000000, 0.012316840000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.235913670000000, 0.562864330000000, 0.487683160000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.235913670000000, 0.937135670000000, 0.987683160000000 ] mass: 1.007940 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.082926550000000, 0.417740220000000, 0.216158890000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.082926550000000, 0.082259780000000, 0.716158890000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.917073450000000, 0.582259780000000, 0.783841110000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.917073450000000, 0.917740220000000, 0.283841110000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.342011630000000, 0.400338590000000, 0.703329900000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.342011630000000, 0.099661410000000, 0.203329900000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.657988370000000, 0.599661410000000, 0.296670100000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.657988370000000, 0.900338590000000, 0.796670100000000 ] mass: 35.453000 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.433236720000000, 0.358774220000000, 0.057126670000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.433236720000000, 0.141225780000000, 0.557126670000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.566763280000000, 0.641225780000000, 0.942873330000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.566763280000000, 0.858774220000000, 0.442873330000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.694313700000000, 0.352014710000000, 0.491491970000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.694313700000000, 0.147985290000000, 0.991491970000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.305686300000000, 0.647985290000000, 0.508508030000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.305686300000000, 0.852014710000000, 0.008508030000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 13.412882880000000, 0.000000000000000, -0.029717960000000 ] # a - [ 0.000000000000000, 10.821950540000000, 0.000000000000000 ] # b - [ -13.169107000000000, 0.000000000000000, 13.941795640000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.445895420000000, 0.216151530000000, 0.176523725000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.945895420000000, 0.216151530000000, 0.176523725000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.445895420000000, 0.216151530000000, 0.676523725000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.945895420000000, 0.216151530000000, 0.676523725000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.445895420000000, 0.283848470000000, 0.426523725000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.945895420000000, 0.283848470000000, 0.426523725000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.445895420000000, 0.283848470000000, 0.926523725000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.945895420000000, 0.283848470000000, 0.926523725000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.054104580000000, 0.783848470000000, 0.323476275000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.554104580000000, 0.783848470000000, 0.323476275000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.054104580000000, 0.783848470000000, 0.823476275000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 12 coordinates: [ 0.554104580000000, 0.783848470000000, 0.823476275000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 13 coordinates: [ 0.054104580000000, 0.716151530000000, 0.073476275000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.554104580000000, 0.716151530000000, 0.073476275000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.054104580000000, 0.716151530000000, 0.573476275000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 16 coordinates: [ 0.554104580000000, 0.716151530000000, 0.573476275000000 ] mass: 137.327000 reduced_to: 13 - symbol: H # 17 coordinates: [ 0.239741910000000, 0.439998220000000, 0.061350735000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.739741910000000, 0.439998220000000, 0.061350735000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.239741910000000, 0.439998220000000, 0.561350735000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 20 coordinates: [ 0.739741910000000, 0.439998220000000, 0.561350735000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 21 coordinates: [ 0.239741910000000, 0.060001780000000, 0.311350735000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.739741910000000, 0.060001780000000, 0.311350735000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.239741910000000, 0.060001780000000, 0.811350735000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 24 coordinates: [ 0.739741910000000, 0.060001780000000, 0.811350735000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 25 coordinates: [ 0.260258090000000, 0.560001780000000, 0.438649265000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.760258090000000, 0.560001780000000, 0.438649265000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.260258090000000, 0.560001780000000, 0.938649265000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.760258090000000, 0.560001780000000, 0.938649265000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.260258090000000, 0.939998220000000, 0.188649265000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.760258090000000, 0.939998220000000, 0.188649265000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.260258090000000, 0.939998220000000, 0.688649265000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 32 coordinates: [ 0.760258090000000, 0.939998220000000, 0.688649265000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 33 coordinates: [ 0.211727340000000, 0.374754380000000, 0.474819400000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.711727340000000, 0.374754380000000, 0.474819400000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.211727340000000, 0.374754380000000, 0.974819400000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.711727340000000, 0.374754380000000, 0.974819400000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.211727340000000, 0.125245620000000, 0.224819400000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.711727340000000, 0.125245620000000, 0.224819400000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.211727340000000, 0.125245620000000, 0.724819400000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.711727340000000, 0.125245620000000, 0.724819400000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.288272660000000, 0.625245620000000, 0.025180600000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.788272660000000, 0.625245620000000, 0.025180600000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.288272660000000, 0.625245620000000, 0.525180600000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.788272660000000, 0.625245620000000, 0.525180600000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.288272660000000, 0.874754380000000, 0.275180600000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.788272660000000, 0.874754380000000, 0.275180600000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.288272660000000, 0.874754380000000, 0.775180600000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 48 coordinates: [ 0.788272660000000, 0.874754380000000, 0.775180600000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 49 coordinates: [ 0.244976910000000, 0.364338030000000, 0.198068955000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.744976910000000, 0.364338030000000, 0.198068955000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.244976910000000, 0.364338030000000, 0.698068955000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.744976910000000, 0.364338030000000, 0.698068955000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.244976910000000, 0.135661970000000, 0.448068955000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.744976910000000, 0.135661970000000, 0.448068955000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.244976910000000, 0.135661970000000, 0.948068955000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 56 coordinates: [ 0.744976910000000, 0.135661970000000, 0.948068955000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 57 coordinates: [ 0.255023090000000, 0.635661970000000, 0.301931045000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.755023090000000, 0.635661970000000, 0.301931045000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.255023090000000, 0.635661970000000, 0.801931045000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.755023090000000, 0.635661970000000, 0.801931045000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.255023090000000, 0.864338030000000, 0.051931045000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.755023090000000, 0.864338030000000, 0.051931045000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.255023090000000, 0.864338030000000, 0.551931045000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.755023090000000, 0.864338030000000, 0.551931045000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.382043165000000, 0.437135670000000, 0.256158420000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.882043165000000, 0.437135670000000, 0.256158420000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.382043165000000, 0.437135670000000, 0.756158420000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 68 coordinates: [ 0.882043165000000, 0.437135670000000, 0.756158420000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 69 coordinates: [ 0.382043165000000, 0.062864330000000, 0.006158420000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.882043165000000, 0.062864330000000, 0.006158420000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 71 coordinates: [ 0.382043165000000, 0.062864330000000, 0.506158420000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 72 coordinates: [ 0.882043165000000, 0.062864330000000, 0.506158420000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 73 coordinates: [ 0.117956835000000, 0.562864330000000, 0.243841580000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.617956835000000, 0.562864330000000, 0.243841580000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.117956835000000, 0.562864330000000, 0.743841580000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.617956835000000, 0.562864330000000, 0.743841580000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.117956835000000, 0.937135670000000, 0.493841580000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 78 coordinates: [ 0.617956835000000, 0.937135670000000, 0.493841580000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 79 coordinates: [ 0.117956835000000, 0.937135670000000, 0.993841580000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 80 coordinates: [ 0.617956835000000, 0.937135670000000, 0.993841580000000 ] mass: 1.007940 reduced_to: 77 - symbol: Cl # 81 coordinates: [ 0.041463275000000, 0.417740220000000, 0.108079445000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 82 coordinates: [ 0.541463275000000, 0.417740220000000, 0.108079445000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 83 coordinates: [ 0.041463275000000, 0.417740220000000, 0.608079445000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 84 coordinates: [ 0.541463275000000, 0.417740220000000, 0.608079445000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 85 coordinates: [ 0.041463275000000, 0.082259780000000, 0.358079445000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.541463275000000, 0.082259780000000, 0.358079445000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.041463275000000, 0.082259780000000, 0.858079445000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.541463275000000, 0.082259780000000, 0.858079445000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 89 coordinates: [ 0.458536725000000, 0.582259780000000, 0.391920555000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 90 coordinates: [ 0.958536725000000, 0.582259780000000, 0.391920555000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 91 coordinates: [ 0.458536725000000, 0.582259780000000, 0.891920555000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 92 coordinates: [ 0.958536725000000, 0.582259780000000, 0.891920555000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 93 coordinates: [ 0.458536725000000, 0.917740220000000, 0.141920555000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 94 coordinates: [ 0.958536725000000, 0.917740220000000, 0.141920555000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 95 coordinates: [ 0.458536725000000, 0.917740220000000, 0.641920555000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 96 coordinates: [ 0.958536725000000, 0.917740220000000, 0.641920555000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 97 coordinates: [ 0.171005815000000, 0.400338590000000, 0.351664950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 98 coordinates: [ 0.671005815000000, 0.400338590000000, 0.351664950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 99 coordinates: [ 0.171005815000000, 0.400338590000000, 0.851664950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 100 coordinates: [ 0.671005815000000, 0.400338590000000, 0.851664950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 101 coordinates: [ 0.171005815000000, 0.099661410000000, 0.101664950000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 102 coordinates: [ 0.671005815000000, 0.099661410000000, 0.101664950000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 103 coordinates: [ 0.171005815000000, 0.099661410000000, 0.601664950000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 104 coordinates: [ 0.671005815000000, 0.099661410000000, 0.601664950000000 ] mass: 35.453000 reduced_to: 101 - symbol: Cl # 105 coordinates: [ 0.328994185000000, 0.599661410000000, 0.148335050000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 106 coordinates: [ 0.828994185000000, 0.599661410000000, 0.148335050000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 107 coordinates: [ 0.328994185000000, 0.599661410000000, 0.648335050000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 108 coordinates: [ 0.828994185000000, 0.599661410000000, 0.648335050000000 ] mass: 35.453000 reduced_to: 105 - symbol: Cl # 109 coordinates: [ 0.328994185000000, 0.900338590000000, 0.398335050000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 110 coordinates: [ 0.828994185000000, 0.900338590000000, 0.398335050000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 111 coordinates: [ 0.328994185000000, 0.900338590000000, 0.898335050000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 112 coordinates: [ 0.828994185000000, 0.900338590000000, 0.898335050000000 ] mass: 35.453000 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.216618360000000, 0.358774220000000, 0.028563335000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.716618360000000, 0.358774220000000, 0.028563335000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.216618360000000, 0.358774220000000, 0.528563335000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.716618360000000, 0.358774220000000, 0.528563335000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.216618360000000, 0.141225780000000, 0.278563335000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.716618360000000, 0.141225780000000, 0.278563335000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.216618360000000, 0.141225780000000, 0.778563335000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.716618360000000, 0.141225780000000, 0.778563335000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.283381640000000, 0.641225780000000, 0.471436665000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.783381640000000, 0.641225780000000, 0.471436665000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.283381640000000, 0.641225780000000, 0.971436665000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.783381640000000, 0.641225780000000, 0.971436665000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.283381640000000, 0.858774220000000, 0.221436665000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.783381640000000, 0.858774220000000, 0.221436665000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.283381640000000, 0.858774220000000, 0.721436665000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.783381640000000, 0.858774220000000, 0.721436665000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.347156850000000, 0.352014710000000, 0.245745985000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.847156850000000, 0.352014710000000, 0.245745985000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.347156850000000, 0.352014710000000, 0.745745985000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.847156850000000, 0.352014710000000, 0.745745985000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.347156850000000, 0.147985290000000, 0.495745985000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.847156850000000, 0.147985290000000, 0.495745985000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.347156850000000, 0.147985290000000, 0.995745985000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.847156850000000, 0.147985290000000, 0.995745985000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.152843150000000, 0.647985290000000, 0.254254015000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.652843150000000, 0.647985290000000, 0.254254015000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.152843150000000, 0.647985290000000, 0.754254015000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.652843150000000, 0.647985290000000, 0.754254015000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.152843150000000, 0.852014710000000, 0.004254015000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.652843150000000, 0.852014710000000, 0.004254015000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.152843150000000, 0.852014710000000, 0.504254015000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.652843150000000, 0.852014710000000, 0.504254015000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ -0.0542150800000000, 0.0044034800000000, -0.0025297400000000 ] - [ 0.0046519000000000, 0.0002614400000000, -0.0000761700000000 ] - [ 0.0010235600000000, 0.0001518600000000, -0.0002109000000000 ] - [ -0.0011320500000000, -0.0000620300000000, -0.0000821400000000 ] - [ 0.0018737100000000, -0.0005806300000000, -0.0045379100000000 ] - [ 0.0019367000000000, 0.0012649700000000, 0.0038862800000000 ] - [ 0.0018670400000000, 0.0003355500000000, -0.0043464200000000 ] - [ 0.0019418600000000, -0.0011085400000000, 0.0039922000000000 ] - [ 0.0017839400000000, -0.0001895200000000, 0.0003182100000000 ] - [ -0.0029285300000000, 0.0006653800000000, 0.0001714600000000 ] - [ -0.0012568900000000, -0.0000349300000000, 0.0003660000000000 ] - [ 0.0012018400000000, -0.0001016800000000, -0.0000278700000000 ] - [ 0.0009976500000000, 0.0003198500000000, 0.0007409700000000 ] - [ 0.0002495800000000, 0.0012565900000000, -0.0005484700000000 ] - [ 0.0000119300000000, 0.0000185400000000, 0.0007509600000000 ] - [ 0.0002807200000000, 0.0001139600000000, -0.0003266200000000 ] - [ -0.0002361800000000, -0.0026949400000000, 0.0008521100000000 ] - [ 0.0001973600000000, 0.0001103800000000, 0.0001932900000000 ] - [ -0.0002708000000000, 0.0000483000000000, 0.0003042500000000 ] - [ -0.0004347700000000, 0.0000884600000000, 0.0002258700000000 ] - [ -0.0000644100000000, 0.0008773000000000, -0.0003816400000000 ] - [ -0.0002582700000000, -0.0036499200000000, 0.0039213700000000 ] - [ -0.0003983200000000, -0.0000361600000000, -0.0000802200000000 ] - [ -0.0002343100000000, -0.0000553000000000, 0.0003899500000000 ] - [ 0.0004939500000000, -0.0001615300000000, -0.0003390600000000 ] - [ 0.0003938000000000, 0.0008770000000000, 0.0003535400000000 ] - [ -0.0001170600000000, 0.0000021400000000, -0.0005753100000000 ] - [ 0.0005616500000000, -0.0001264600000000, -0.0001232200000000 ] - [ 0.0005534200000000, 0.0030903500000000, -0.0019050700000000 ] - [ 0.0007120000000000, -0.0010890000000000, 0.0002557600000000 ] - [ 0.0003791700000000, -0.0000336400000000, -0.0002146100000000 ] - [ 0.0003363800000000, 0.0001613000000000, -0.0003255400000000 ] - [ 0.0004961000000000, -0.0003636600000000, -0.0006619900000000 ] - [ -0.0011801000000000, -0.0008591800000000, 0.0008864400000000 ] - [ -0.0026823800000000, 0.0003246000000000, 0.0014172800000000 ] - [ 0.0006536300000000, -0.0004098600000000, -0.0007012300000000 ] - [ 0.0028290400000000, 0.0007742900000000, -0.0026526400000000 ] - [ 0.0062375700000000, -0.0014014000000000, -0.0009002900000000 ] - [ 0.0001087700000000, 0.0004001000000000, -0.0003495600000000 ] - [ 0.0000846900000000, 0.0004116100000000, -0.0003242600000000 ] - [ -0.0011550300000000, 0.0003238500000000, 0.0010209900000000 ] - [ 0.0005411300000000, 0.0003897000000000, -0.0001779300000000 ] - [ 0.0002268000000000, 0.0004236100000000, 0.0000758300000000 ] - [ -0.0004404400000000, 0.0004303000000000, 0.0005871400000000 ] - [ 0.0006221300000000, -0.0004046200000000, -0.0004254800000000 ] - [ -0.0000187000000000, -0.0007342900000000, 0.0005388400000000 ] - [ 0.0001383200000000, -0.0004223000000000, -0.0000607900000000 ] - [ -0.0001328000000000, -0.0004193500000000, 0.0004484400000000 ] - [ 0.0048405700000000, -0.0025076600000000, 0.0008157000000000 ] - [ 0.0021776300000000, -0.0000000800000000, 0.0008403800000000 ] - [ -0.0002580100000000, -0.0004697300000000, -0.0001818100000000 ] - [ -0.0002070100000000, -0.0005127600000000, -0.0001231700000000 ] - [ 0.0005805800000000, 0.0006503700000000, 0.0002637400000000 ] - [ -0.0028489100000000, -0.0003400800000000, -0.0010172000000000 ] - [ -0.0034587100000000, 0.0008086700000000, -0.0010853700000000 ] - [ 0.0005783300000000, 0.0006227800000000, 0.0002901300000000 ] - [ 0.0004733000000000, 0.0004535500000000, 0.0001340700000000 ] - [ 0.0005060800000000, 0.0004493900000000, 0.0004611300000000 ] - [ -0.0000026000000000, 0.0004634200000000, -0.0000362700000000 ] - [ 0.0005071800000000, 0.0004700000000000, 0.0003980600000000 ] - [ -0.0018217200000000, -0.0004338500000000, -0.0008743000000000 ] - [ 0.0011573800000000, -0.0004712600000000, 0.0006516200000000 ] - [ 0.0005841300000000, -0.0004409100000000, 0.0003644100000000 ] - [ -0.0002288000000000, -0.0004763400000000, -0.0001360600000000 ] - [ -0.0005231900000000, -0.0029073100000000, -0.0014683200000000 ] - [ 0.0008048400000000, 0.0006440400000000, 0.0001497500000000 ] - [ 0.0005667200000000, 0.0000874700000000, -0.0001409200000000 ] - [ 0.0001673100000000, 0.0000256600000000, 0.0000906700000000 ] - [ 0.0008729700000000, -0.0018153100000000, -0.0020008400000000 ] - [ 0.0013212300000000, 0.0001941600000000, 0.0002858400000000 ] - [ 0.0005460700000000, -0.0001492400000000, -0.0002356200000000 ] - [ 0.0000604100000000, 0.0000802800000000, 0.0002969900000000 ] - [ 0.0000813200000000, -0.0002664000000000, -0.0002278900000000 ] - [ -0.0010414900000000, 0.0008432600000000, 0.0007764600000000 ] - [ -0.0004967500000000, -0.0001169300000000, 0.0001272000000000 ] - [ -0.0002353300000000, -0.0000999600000000, 0.0000113800000000 ] - [ -0.0002227500000000, 0.0000045900000000, 0.0001522500000000 ] - [ -0.0001675800000000, 0.0004376800000000, -0.0004581600000000 ] - [ -0.0012459000000000, 0.0016693700000000, 0.0015355800000000 ] - [ 0.0000339800000000, -0.0006052200000000, -0.0006355200000000 ] - [ -0.0022733300000000, 0.0010178900000000, -0.0009097400000000 ] - [ 0.0034112400000000, 0.0017956600000000, -0.0007532700000000 ] - [ 0.0002681000000000, -0.0000187000000000, -0.0004232400000000 ] - [ -0.0003486300000000, 0.0001994000000000, 0.0003609700000000 ] - [ -0.0012935100000000, 0.0000851600000000, -0.0002719300000000 ] - [ 0.0045481100000000, 0.0018997300000000, -0.0033317200000000 ] - [ 0.0017063300000000, -0.0000697700000000, -0.0002875100000000 ] - [ -0.0009372600000000, 0.0000353100000000, 0.0003034800000000 ] - [ 0.0000845700000000, 0.0007417000000000, 0.0007366100000000 ] - [ -0.0003423700000000, -0.0003414300000000, -0.0003054600000000 ] - [ -0.0003504300000000, -0.0004047500000000, 0.0006150300000000 ] - [ 0.0001030500000000, 0.0003566500000000, -0.0004889700000000 ] - [ 0.0031006700000000, 0.0005387000000000, 0.0000053500000000 ] - [ -0.0013563400000000, -0.0001220900000000, 0.0000207200000000 ] - [ -0.0004124500000000, 0.0000404300000000, 0.0000694800000000 ] - [ 0.0005402100000000, 0.0000292600000000, -0.0000625600000000 ] - [ -0.0011166500000000, 0.0004801100000000, 0.0002534600000000 ] - [ 0.0026303100000000, 0.0010195200000000, 0.0003556200000000 ] - [ 0.0014087600000000, 0.0003561900000000, -0.0004811700000000 ] - [ -0.0009233000000000, 0.0004728700000000, 0.0000204200000000 ] - [ 0.0081053000000000, 0.0019320600000000, 0.0028982300000000 ] - [ -0.0033596000000000, 0.0007314000000000, 0.0014068400000000 ] - [ -0.0003308600000000, -0.0002743500000000, -0.0001494000000000 ] - [ 0.0000195300000000, -0.0005084700000000, 0.0005100400000000 ] - [ 0.0013613600000000, 0.0013053500000000, -0.0002888200000000 ] - [ -0.0009216100000000, -0.0006803800000000, 0.0000546000000000 ] - [ -0.0002449200000000, -0.0004273900000000, 0.0000109400000000 ] - [ 0.0004768700000000, -0.0003813700000000, -0.0001916800000000 ] - [ -0.0005570600000000, -0.0000156900000000, 0.0005824100000000 ] - [ 0.0006194000000000, 0.0019969600000000, -0.0015293700000000 ] - [ 0.0003195700000000, 0.0007678800000000, 0.0006786900000000 ] - [ -0.0004031500000000, 0.0001686600000000, -0.0005803300000000 ] - [ 0.0057586900000000, -0.0015125000000000, 0.0009168400000000 ] - [ -0.0010717400000000, 0.0005344100000000, -0.0001050100000000 ] - [ -0.0004558900000000, 0.0005539600000000, -0.0004163100000000 ] - [ 0.0015786400000000, 0.0009978700000000, -0.0008991900000000 ] - [ -0.0021962500000000, -0.0011713600000000, 0.0016016600000000 ] - [ 0.0079038000000000, -0.0025503100000000, 0.0021443700000000 ] - [ 0.0006129200000000, -0.0005948700000000, 0.0002357000000000 ] - [ -0.0000419900000000, -0.0007657300000000, -0.0007427600000000 ] - [ -0.0008469900000000, -0.0005696600000000, 0.0005099700000000 ] - [ 0.0002190400000000, -0.0013367700000000, -0.0001639700000000 ] - [ 0.0010690600000000, -0.0008539600000000, 0.0004250700000000 ] - [ -0.0012118100000000, -0.0005079000000000, 0.0004084500000000 ] - [ -0.0006267500000000, -0.0014476200000000, 0.0018572800000000 ] - [ -0.0007900900000000, 0.0015280300000000, -0.0002312400000000 ] - [ -0.0005922900000000, 0.0007111900000000, 0.0005376200000000 ] - [ -0.0001844800000000, 0.0005473500000000, 0.0003601500000000 ] - [ 0.0057316900000000, -0.0015272100000000, -0.0002536500000000 ] - [ -0.0023071500000000, -0.0001372800000000, -0.0014540500000000 ] - [ -0.0003866000000000, 0.0003692300000000, -0.0000626900000000 ] - [ 0.0004127700000000, 0.0005252500000000, -0.0009478900000000 ] - [ -0.0010044100000000, -0.0005817400000000, -0.0004311500000000 ] - [ 0.0021130800000000, -0.0000245800000000, -0.0004728800000000 ] - [ 0.0046656100000000, -0.0016511500000000, -0.0021516200000000 ] - [ -0.0017599100000000, -0.0005650200000000, -0.0009778400000000 ] - [ -0.0007239700000000, -0.0002569400000000, 0.0007308000000000 ] - [ 0.0005851200000000, -0.0011835100000000, -0.0002653100000000 ] - [ 0.0004058200000000, -0.0004211100000000, 0.0005185600000000 ] - [ -0.0004373600000000, -0.0004030100000000, 0.0004007800000000 ] - [ 0.0020200300000000, -0.0007292300000000, 0.0002518300000000 ] - [ -0.0011348700000000, 0.0009441900000000, 0.0007029900000000 ] - [ -0.0004600600000000, 0.0004930400000000, 0.0002892500000000 ] - [ 0.0002929200000000, -0.0000171800000000, 0.0010204600000000 ]- atom: 1 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ 0.0544096500000000, -0.0042888700000000, 0.0020671200000000 ] - [ -0.0046891400000000, -0.0000766000000000, -0.0002313000000000 ] - [ -0.0010630600000000, 0.0000302400000000, -0.0000976900000000 ] - [ 0.0010923400000000, 0.0002446900000000, -0.0002261400000000 ] - [ -0.0019090100000000, 0.0003984200000000, 0.0042562500000000 ] - [ -0.0019795700000000, -0.0014358200000000, -0.0041709200000000 ] - [ -0.0019165800000000, -0.0005145300000000, 0.0040174500000000 ] - [ -0.0019749500000000, 0.0009360300000000, -0.0043207400000000 ] - [ -0.0017447500000000, 0.0000047600000000, -0.0000065600000000 ] - [ 0.0029743000000000, -0.0008400400000000, 0.0001304000000000 ] - [ 0.0012987000000000, -0.0001467600000000, -0.0000567000000000 ] - [ -0.0011631900000000, -0.0000817700000000, 0.0003341700000000 ] - [ -0.0009517700000000, -0.0001391500000000, -0.0004359400000000 ] - [ -0.0002233400000000, -0.0010722900000000, 0.0008575000000000 ] - [ 0.0000234600000000, 0.0001612700000000, -0.0004413600000000 ] - [ -0.0002364900000000, 0.0000684000000000, 0.0006364800000000 ] - [ -0.0004514000000000, 0.0027417000000000, -0.0003804800000000 ] - [ -0.0009002500000000, -0.0000571800000000, 0.0002897800000000 ] - [ -0.0004311800000000, 0.0000045100000000, 0.0001796600000000 ] - [ -0.0002661700000000, -0.0000372800000000, 0.0002570000000000 ] - [ -0.0006358400000000, -0.0009368100000000, 0.0008704900000000 ] - [ -0.0004289300000000, 0.0035689500000000, -0.0033989600000000 ] - [ -0.0003046400000000, -0.0000160400000000, 0.0005660900000000 ] - [ -0.0004668600000000, 0.0000035100000000, 0.0000928700000000 ] - [ 0.0002077700000000, 0.0001116200000000, -0.0001428100000000 ] - [ 0.0003095100000000, -0.0009420600000000, -0.0008450200000000 ] - [ 0.0008171000000000, -0.0000560500000000, 0.0000911300000000 ] - [ 0.0001399000000000, 0.0000743100000000, -0.0003615800000000 ] - [ 0.0001492500000000, -0.0030580100000000, 0.0014334100000000 ] - [ -0.0000107300000000, 0.0011305800000000, -0.0007335600000000 ] - [ 0.0003220100000000, 0.0000836100000000, -0.0002680100000000 ] - [ 0.0003657000000000, -0.0001096400000000, -0.0001577900000000 ] - [ -0.0004186300000000, -0.0004719700000000, 0.0001449000000000 ] - [ 0.0012670100000000, 0.0000247100000000, -0.0014141400000000 ] - [ 0.0027547600000000, -0.0011702400000000, -0.0019238900000000 ] - [ -0.0005747800000000, -0.0004259300000000, 0.0001797800000000 ] - [ -0.0027723500000000, 0.0000532800000000, 0.0021445300000000 ] - [ -0.0060902900000000, 0.0022046800000000, 0.0003907300000000 ] - [ -0.0000319500000000, 0.0004357700000000, -0.0001681800000000 ] - [ -0.0000037300000000, 0.0004237500000000, -0.0001972500000000 ] - [ 0.0010763700000000, 0.0005110000000000, -0.0005015200000000 ] - [ -0.0006203300000000, 0.0004459600000000, 0.0006966800000000 ] - [ -0.0003056800000000, 0.0004119800000000, 0.0004438700000000 ] - [ 0.0003651400000000, 0.0004067500000000, -0.0000715900000000 ] - [ -0.0007014400000000, -0.0004304700000000, 0.0009475200000000 ] - [ -0.0000625300000000, -0.0001031000000000, -0.0000182200000000 ] - [ -0.0002181600000000, -0.0004136900000000, 0.0005813700000000 ] - [ 0.0000567800000000, -0.0004167700000000, 0.0000681200000000 ] - [ -0.0053836000000000, 0.0015858100000000, -0.0011586900000000 ] - [ -0.0026560400000000, -0.0009487400000000, -0.0011960300000000 ] - [ -0.0002304300000000, -0.0004908800000000, -0.0001706500000000 ] - [ -0.0002776100000000, -0.0004486500000000, -0.0002277800000000 ] - [ -0.0010656300000000, 0.0003110400000000, -0.0006130600000000 ] - [ 0.0023548800000000, 0.0013028700000000, 0.0006592100000000 ] - [ 0.0029814500000000, 0.0001593900000000, 0.0007511300000000 ] - [ -0.0010655200000000, 0.0003385300000000, -0.0006442000000000 ] - [ 0.0000149400000000, 0.0005071100000000, 0.0002189000000000 ] - [ -0.0000237100000000, 0.0005106700000000, -0.0001111000000000 ] - [ 0.0004876800000000, 0.0004978000000000, 0.0003873100000000 ] - [ -0.0000187900000000, 0.0004906600000000, -0.0000455700000000 ] - [ 0.0023218500000000, -0.0005254300000000, 0.0012333000000000 ] - [ -0.0006708100000000, -0.0004912100000000, -0.0003014600000000 ] - [ -0.0000976900000000, -0.0005201400000000, -0.0000125900000000 ] - [ 0.0007142600000000, -0.0004850600000000, 0.0004862300000000 ] - [ 0.0012617300000000, 0.0030854200000000, 0.0013848900000000 ] - [ -0.0000765900000000, -0.0004857100000000, -0.0002428800000000 ] - [ 0.0001614500000000, 0.0000663600000000, 0.0000467900000000 ] - [ 0.0005624000000000, 0.0001283900000000, -0.0001848500000000 ] - [ -0.0001612400000000, 0.0016609000000000, 0.0019027400000000 ] - [ -0.0005911400000000, -0.0003494000000000, -0.0003806700000000 ] - [ 0.0001833700000000, -0.0000046400000000, 0.0001421800000000 ] - [ 0.0006665300000000, -0.0002331800000000, -0.0003899700000000 ] - [ -0.0008103600000000, 0.0001142600000000, 0.0003235200000000 ] - [ 0.0003078200000000, -0.0009995700000000, -0.0006765800000000 ] - [ -0.0002325200000000, -0.0000382400000000, -0.0000320000000000 ] - [ -0.0004930000000000, -0.0000532000000000, 0.0000826100000000 ] - [ -0.0005064000000000, 0.0001485200000000, -0.0000565400000000 ] - [ -0.0005578800000000, -0.0002789900000000, 0.0005464900000000 ] - [ 0.0005230500000000, -0.0015236100000000, -0.0014503200000000 ] - [ -0.0007617100000000, 0.0007534900000000, 0.0007243600000000 ] - [ 0.0022445800000000, -0.0009260700000000, 0.0009197700000000 ] - [ -0.0033038400000000, -0.0015338800000000, 0.0006845900000000 ] - [ -0.0003011600000000, 0.0001190000000000, 0.0004264300000000 ] - [ 0.0003111600000000, -0.0000987400000000, -0.0003592300000000 ] - [ 0.0012566200000000, -0.0001854400000000, 0.0002707100000000 ] - [ -0.0045992700000000, -0.0020366900000000, 0.0034113200000000 ] - [ -0.0017508700000000, -0.0000334900000000, 0.0002909100000000 ] - [ 0.0009014300000000, -0.0001364900000000, -0.0002964800000000 ] - [ -0.0000513100000000, -0.0008463800000000, -0.0007424400000000 ] - [ 0.0003828900000000, 0.0002393900000000, 0.0003011800000000 ] - [ 0.0003892000000000, 0.0003026200000000, -0.0006186400000000 ] - [ -0.0000704900000000, -0.0004569000000000, 0.0004858600000000 ] - [ -0.0030592800000000, -0.0004613200000000, -0.0000113200000000 ] - [ 0.0013916900000000, 0.0002273500000000, -0.0000233200000000 ] - [ 0.0004483100000000, 0.0000614900000000, -0.0000730800000000 ] - [ -0.0005034600000000, 0.0000721800000000, 0.0000597900000000 ] - [ 0.0009183000000000, 0.0002971200000000, -0.0001492100000000 ] - [ -0.0028293700000000, -0.0002262300000000, -0.0002283900000000 ] - [ -0.0016021000000000, 0.0004250400000000, 0.0005851400000000 ] - [ 0.0007249900000000, 0.0003061300000000, 0.0000898600000000 ] - [ -0.0087096200000000, -0.0029061100000000, -0.0029627200000000 ] - [ 0.0031368400000000, -0.0014965000000000, -0.0012866600000000 ] - [ 0.0001341000000000, -0.0005045900000000, 0.0002555300000000 ] - [ -0.0002211800000000, -0.0002696500000000, -0.0003995800000000 ] - [ -0.0011707400000000, -0.0020834600000000, 0.0001858100000000 ] - [ 0.0011230800000000, -0.0001008800000000, -0.0001615200000000 ] - [ 0.0004444800000000, -0.0003523200000000, -0.0001196500000000 ] - [ -0.0002806200000000, -0.0003978000000000, 0.0000856900000000 ] - [ 0.0007535900000000, 0.0007978400000000, -0.0006951800000000 ] - [ -0.0004177100000000, -0.0012079900000000, 0.0014140700000000 ] - [ -0.0001175200000000, 0.0000092900000000, -0.0007896200000000 ] - [ 0.0006005300000000, 0.0006117600000000, 0.0004750700000000 ] - [ -0.0051127800000000, 0.0029149800000000, -0.0017912700000000 ] - [ 0.0017743400000000, 0.0007769200000000, -0.0006632100000000 ] - [ 0.0011574800000000, 0.0007581500000000, -0.0003582300000000 ] - [ -0.0008866000000000, 0.0003118000000000, 0.0001329000000000 ] - [ 0.0029068900000000, -0.0001355600000000, -0.0023879100000000 ] - [ -0.0068189800000000, 0.0010737300000000, -0.0026327500000000 ] - [ 0.0000903700000000, -0.0007148300000000, -0.0010097100000000 ] - [ 0.0007393900000000, -0.0005445700000000, -0.0000265300000000 ] - [ 0.0001458300000000, -0.0007451400000000, 0.0002603500000000 ] - [ -0.0009223800000000, 0.0000311700000000, 0.0009450700000000 ] - [ -0.0017671300000000, -0.0004568600000000, 0.0003468500000000 ] - [ 0.0005127000000000, -0.0008036400000000, 0.0003650800000000 ] - [ -0.0000766000000000, 0.0027691400000000, -0.0010953100000000 ] - [ 0.0000947300000000, -0.0002084400000000, 0.0009997900000000 ] - [ -0.0001072000000000, 0.0006053800000000, 0.0002337100000000 ] - [ -0.0005198900000000, 0.0007681600000000, 0.0004137200000000 ] - [ -0.0060273100000000, 0.0026303700000000, -0.0005691400000000 ] - [ 0.0023417800000000, 0.0010077000000000, 0.0004969600000000 ] - [ 0.0004258700000000, 0.0005102700000000, -0.0008920700000000 ] - [ -0.0003784900000000, 0.0003547600000000, -0.0000071300000000 ] - [ 0.0010402700000000, -0.0002985500000000, -0.0005275700000000 ] - [ -0.0020681700000000, -0.0008576100000000, -0.0004830300000000 ] - [ -0.0046033700000000, 0.0007522600000000, 0.0010984000000000 ] - [ 0.0017961900000000, -0.0003140900000000, 0.0000263900000000 ] - [ 0.0006855100000000, -0.0006236600000000, 0.0002229900000000 ] - [ -0.0006157400000000, 0.0003038400000000, 0.0012192000000000 ] - [ -0.0004414600000000, -0.0004579800000000, 0.0004365500000000 ] - [ 0.0003983600000000, -0.0004770300000000, 0.0005544600000000 ] - [ -0.0020701800000000, 0.0016155600000000, 0.0007042500000000 ] - [ 0.0010987100000000, -0.0000579900000000, 0.0002565700000000 ] - [ 0.0004239300000000, 0.0003872500000000, 0.0006641900000000 ] - [ -0.0003321200000000, 0.0008922800000000, -0.0000599500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043908200000000, -0.0409033500000000, 0.0054238000000000 ] - [ 0.0001499700000000, -0.0012454800000000, -0.0002269300000000 ] - [ 0.0000411400000000, -0.0002661900000000, -0.0001832100000000 ] - [ -0.0001735400000000, -0.0011462300000000, -0.0002231900000000 ] - [ -0.0004394900000000, -0.0026255400000000, 0.0010698200000000 ] - [ 0.0010003600000000, -0.0024404700000000, 0.0001273800000000 ] - [ 0.0004621600000000, -0.0026277800000000, -0.0014813400000000 ] - [ -0.0013691500000000, -0.0024401500000000, -0.0007678000000000 ] - [ -0.0000767600000000, 0.0006984200000000, 0.0000730500000000 ] - [ 0.0007649300000000, 0.0051674400000000, -0.0018381700000000 ] - [ 0.0000759700000000, 0.0012038200000000, 0.0007138100000000 ] - [ 0.0000103300000000, 0.0003674800000000, 0.0001952700000000 ] - [ -0.0002181500000000, 0.0020920200000000, -0.0000168500000000 ] - [ -0.0011352500000000, 0.0046135700000000, 0.0006571900000000 ] - [ 0.0000910200000000, 0.0010416300000000, 0.0000951500000000 ] - [ -0.0000030600000000, 0.0007597400000000, 0.0001994800000000 ] - [ -0.0028758500000000, 0.0045539200000000, -0.0018753500000000 ] - [ 0.0000224300000000, 0.0001740900000000, 0.0001874900000000 ] - [ -0.0003207800000000, 0.0000611400000000, 0.0002712000000000 ] - [ -0.0003587500000000, 0.0003977300000000, 0.0004590700000000 ] - [ -0.0001029000000000, 0.0001919300000000, 0.0002023300000000 ] - [ -0.0028231600000000, 0.0014360400000000, -0.0020141600000000 ] - [ -0.0004730300000000, -0.0002529600000000, 0.0005915300000000 ] - [ -0.0003226100000000, -0.0000716100000000, 0.0003235000000000 ] - [ 0.0003112400000000, 0.0000299500000000, -0.0001744200000000 ] - [ 0.0002590100000000, 0.0020724700000000, 0.0010380600000000 ] - [ 0.0002476300000000, 0.0003345200000000, -0.0006571600000000 ] - [ 0.0003041400000000, -0.0000096100000000, -0.0003100000000000 ] - [ 0.0016353300000000, 0.0010705300000000, -0.0004753600000000 ] - [ -0.0000989000000000, 0.0000336300000000, -0.0002589600000000 ] - [ 0.0003416700000000, -0.0000608600000000, -0.0002157500000000 ] - [ 0.0004091100000000, 0.0001038400000000, -0.0002667200000000 ] - [ 0.0000176300000000, -0.0004610700000000, -0.0001526600000000 ] - [ -0.0015500600000000, -0.0010057100000000, 0.0019995800000000 ] - [ 0.0010896000000000, 0.0000643200000000, -0.0041951200000000 ] - [ 0.0000501300000000, -0.0004161700000000, -0.0004763200000000 ] - [ 0.0011407200000000, -0.0001452000000000, -0.0015602200000000 ] - [ -0.0025686600000000, -0.0000197100000000, 0.0003834900000000 ] - [ -0.0000093500000000, 0.0003866400000000, -0.0002429100000000 ] - [ 0.0002439900000000, 0.0003680500000000, -0.0004351700000000 ] - [ 0.0004281700000000, 0.0013288300000000, -0.0006006300000000 ] - [ 0.0000010400000000, 0.0005038100000000, 0.0001265000000000 ] - [ -0.0000030400000000, 0.0004342000000000, 0.0002711500000000 ] - [ -0.0002122400000000, 0.0004436700000000, 0.0005297300000000 ] - [ 0.0004283200000000, -0.0003773200000000, -0.0002268900000000 ] - [ -0.0005001500000000, -0.0001579200000000, 0.0000160800000000 ] - [ -0.0003773300000000, -0.0003250700000000, 0.0007239500000000 ] - [ -0.0000327800000000, -0.0003594200000000, 0.0003396800000000 ] - [ -0.0034116100000000, -0.0002486300000000, -0.0015185100000000 ] - [ 0.0020265700000000, -0.0013721500000000, 0.0014844200000000 ] - [ -0.0000470600000000, -0.0005789900000000, -0.0000971500000000 ] - [ -0.0003161000000000, -0.0005209400000000, -0.0001907300000000 ] - [ -0.0003107300000000, 0.0003959200000000, -0.0003044500000000 ] - [ -0.0019079000000000, -0.0005224900000000, -0.0016795900000000 ] - [ 0.0005465100000000, 0.0001523100000000, 0.0016682800000000 ] - [ -0.0002140000000000, 0.0004681700000000, -0.0000585300000000 ] - [ -0.0000374700000000, 0.0007099200000000, 0.0000712700000000 ] - [ 0.0005670200000000, 0.0006845800000000, 0.0004177200000000 ] - [ 0.0002062400000000, 0.0006419500000000, 0.0001036200000000 ] - [ -0.0000110400000000, 0.0005873900000000, -0.0000158500000000 ] - [ 0.0028310700000000, 0.0009124400000000, 0.0022788000000000 ] - [ 0.0002426400000000, -0.0003673800000000, 0.0002458100000000 ] - [ 0.0002341900000000, -0.0004682600000000, 0.0001364300000000 ] - [ 0.0001216000000000, -0.0003805100000000, -0.0000277100000000 ] - [ -0.0024066600000000, 0.0033369800000000, 0.0018581800000000 ] - [ 0.0005975000000000, 0.0003889700000000, 0.0000215300000000 ] - [ 0.0003940100000000, 0.0001023000000000, -0.0000842100000000 ] - [ 0.0002395200000000, 0.0000799000000000, -0.0001666500000000 ] - [ -0.0015067000000000, 0.0007955400000000, 0.0036748300000000 ] - [ 0.0007717800000000, 0.0000351300000000, 0.0001867200000000 ] - [ 0.0004620800000000, -0.0001384100000000, -0.0001269200000000 ] - [ 0.0003593800000000, -0.0000343500000000, -0.0003681100000000 ] - [ -0.0004677000000000, 0.0000152700000000, 0.0001978900000000 ] - [ 0.0003319100000000, 0.0016440300000000, 0.0005830600000000 ] - [ -0.0002525700000000, 0.0002188700000000, -0.0000930300000000 ] - [ -0.0003562700000000, -0.0000623300000000, 0.0000278900000000 ] - [ -0.0004996500000000, 0.0000410200000000, -0.0000596300000000 ] - [ -0.0000986000000000, 0.0005423300000000, -0.0006468400000000 ] - [ -0.0001400300000000, 0.0003349000000000, 0.0007433400000000 ] - [ -0.0005568700000000, 0.0002069500000000, 0.0002122900000000 ] - [ 0.0012613100000000, 0.0001221800000000, 0.0007148800000000 ] - [ 0.0015412400000000, 0.0041511000000000, -0.0009930500000000 ] - [ -0.0002698700000000, 0.0001758400000000, -0.0001989400000000 ] - [ 0.0000654600000000, 0.0001073700000000, -0.0000030000000000 ] - [ 0.0001289700000000, 0.0002300600000000, 0.0001579800000000 ] - [ 0.0019038600000000, 0.0049765600000000, -0.0038489600000000 ] - [ -0.0003999300000000, 0.0003518200000000, -0.0008531300000000 ] - [ -0.0000872400000000, 0.0001569500000000, -0.0001458800000000 ] - [ 0.0003353000000000, -0.0009978800000000, -0.0005149000000000 ] - [ -0.0003333100000000, -0.0005312100000000, -0.0002278800000000 ] - [ -0.0001548000000000, -0.0005515000000000, 0.0001590100000000 ] - [ 0.0002727000000000, -0.0005715200000000, 0.0003202200000000 ] - [ -0.0003831300000000, 0.0006745600000000, -0.0002721200000000 ] - [ -0.0000906500000000, -0.0002385700000000, -0.0000095600000000 ] - [ 0.0000110000000000, -0.0000098700000000, 0.0000542100000000 ] - [ 0.0000726400000000, -0.0000827700000000, 0.0001366300000000 ] - [ -0.0000866200000000, 0.0005310600000000, -0.0001016800000000 ] - [ 0.0004417100000000, 0.0039073500000000, 0.0016503700000000 ] - [ -0.0007614600000000, 0.0005042800000000, 0.0016556500000000 ] - [ -0.0000867600000000, 0.0004492400000000, 0.0002310100000000 ] - [ 0.0030341800000000, 0.0033649900000000, 0.0012526800000000 ] - [ 0.0011225500000000, 0.0003025100000000, -0.0006172400000000 ] - [ -0.0000063300000000, -0.0001834600000000, 0.0000235600000000 ] - [ -0.0002948100000000, -0.0001276400000000, 0.0004097200000000 ] - [ 0.0007886800000000, -0.0041463600000000, 0.0000684400000000 ] - [ -0.0000398300000000, -0.0009229900000000, -0.0000218500000000 ] - [ 0.0000849800000000, -0.0005108500000000, -0.0000585000000000 ] - [ 0.0002014700000000, -0.0007131000000000, -0.0002721600000000 ] - [ -0.0002772800000000, 0.0000922400000000, 0.0002796200000000 ] - [ 0.0006031900000000, -0.0005054500000000, 0.0009097000000000 ] - [ 0.0004482600000000, 0.0000220300000000, -0.0009022800000000 ] - [ -0.0001233100000000, 0.0001704200000000, -0.0002209900000000 ] - [ -0.0008307500000000, 0.0052136100000000, -0.0023037500000000 ] - [ 0.0000074400000000, 0.0009028900000000, -0.0001521000000000 ] - [ 0.0003258700000000, 0.0007018000000000, -0.0005286400000000 ] - [ 0.0014748100000000, 0.0011290500000000, -0.0020031100000000 ] - [ -0.0005817600000000, -0.0000677000000000, 0.0004245200000000 ] - [ 0.0005228000000000, 0.0028322600000000, -0.0012201900000000 ] - [ 0.0005667400000000, -0.0001876900000000, -0.0005641600000000 ] - [ 0.0001915000000000, -0.0004192200000000, -0.0001812700000000 ] - [ -0.0003566400000000, -0.0008251600000000, 0.0003608400000000 ] - [ -0.0000885500000000, -0.0024688600000000, -0.0003480400000000 ] - [ -0.0005191500000000, -0.0019552800000000, 0.0010970100000000 ] - [ -0.0003421700000000, -0.0008402000000000, 0.0005565200000000 ] - [ -0.0013828500000000, -0.0006098000000000, 0.0007075700000000 ] - [ 0.0005213000000000, 0.0002044600000000, 0.0005699700000000 ] - [ -0.0000795000000000, 0.0005581200000000, 0.0000325100000000 ] - [ -0.0004283300000000, 0.0004467400000000, 0.0003120400000000 ] - [ -0.0003371900000000, 0.0044151600000000, -0.0001953600000000 ] - [ -0.0016425300000000, 0.0010808000000000, -0.0016151800000000 ] - [ -0.0002093700000000, 0.0005122100000000, -0.0004497600000000 ] - [ 0.0001782900000000, 0.0006342600000000, -0.0003933600000000 ] - [ 0.0000717000000000, -0.0002278900000000, -0.0003396900000000 ] - [ 0.0010665800000000, 0.0004941200000000, 0.0006392200000000 ] - [ -0.0003089400000000, 0.0033393500000000, -0.0007088500000000 ] - [ -0.0003067900000000, -0.0001645700000000, -0.0008276100000000 ] - [ 0.0002358600000000, -0.0007974700000000, 0.0004378200000000 ] - [ -0.0002766000000000, -0.0023822300000000, 0.0002331000000000 ] - [ -0.0000576900000000, -0.0008871200000000, 0.0005897700000000 ] - [ 0.0001584400000000, -0.0005754300000000, 0.0006202800000000 ] - [ -0.0017756600000000, -0.0007802200000000, -0.0011703900000000 ] - [ 0.0001144800000000, 0.0001722400000000, 0.0003186300000000 ] - [ 0.0000914400000000, 0.0003298500000000, 0.0005871300000000 ] - [ -0.0001879900000000, -0.0001515500000000, 0.0011357800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043249100000000, 0.0410725000000000, -0.0057072000000000 ] - [ -0.0001877300000000, 0.0014244200000000, -0.0000818000000000 ] - [ -0.0000803900000000, 0.0004476200000000, -0.0001253200000000 ] - [ 0.0001334500000000, 0.0013260300000000, -0.0000848400000000 ] - [ 0.0004049300000000, 0.0024375000000000, -0.0013867400000000 ] - [ -0.0010456000000000, 0.0022500200000000, -0.0004438200000000 ] - [ -0.0005110400000000, 0.0024352700000000, 0.0011773500000000 ] - [ 0.0013343400000000, 0.0022503900000000, 0.0004652600000000 ] - [ 0.0001179100000000, -0.0008786400000000, 0.0002362500000000 ] - [ -0.0007316600000000, -0.0053601700000000, 0.0021810700000000 ] - [ -0.0000377100000000, -0.0013829500000000, -0.0004141300000000 ] - [ 0.0000302300000000, -0.0005493800000000, 0.0001133100000000 ] - [ 0.0002418100000000, -0.0019067900000000, 0.0003205100000000 ] - [ 0.0011915400000000, -0.0044413400000000, -0.0003563800000000 ] - [ -0.0000513700000000, -0.0008601700000000, 0.0002143600000000 ] - [ 0.0000423900000000, -0.0005765100000000, 0.0001098700000000 ] - [ 0.0021480700000000, -0.0044833300000000, 0.0023190200000000 ] - [ -0.0007238500000000, -0.0001229600000000, 0.0002952000000000 ] - [ -0.0003807500000000, -0.0000095100000000, 0.0002120900000000 ] - [ -0.0003425100000000, -0.0003449600000000, 0.0000246700000000 ] - [ -0.0005987100000000, -0.0002407000000000, 0.0002795500000000 ] - [ 0.0021439400000000, -0.0014752700000000, 0.0025063300000000 ] - [ -0.0002296600000000, 0.0002037900000000, -0.0001070000000000 ] - [ -0.0003788600000000, 0.0000200400000000, 0.0001600600000000 ] - [ 0.0003902300000000, -0.0000824900000000, -0.0003090400000000 ] - [ 0.0004447100000000, -0.0021336300000000, -0.0015245800000000 ] - [ 0.0004546000000000, -0.0003914200000000, 0.0001684300000000 ] - [ 0.0003976900000000, -0.0000437200000000, -0.0001740700000000 ] - [ -0.0009466700000000, -0.0010092700000000, -0.0000161700000000 ] - [ 0.0008035800000000, 0.0000236100000000, -0.0002257300000000 ] - [ 0.0003600600000000, 0.0001126900000000, -0.0002675000000000 ] - [ 0.0002928000000000, -0.0000515500000000, -0.0002165800000000 ] - [ 0.0000610300000000, -0.0003746600000000, -0.0003663900000000 ] - [ 0.0016276000000000, 0.0001710200000000, -0.0025151300000000 ] - [ -0.0010156000000000, -0.0008999700000000, 0.0036567000000000 ] - [ 0.0000282400000000, -0.0004197800000000, -0.0000427500000000 ] - [ -0.0010574000000000, 0.0009821400000000, 0.0010367200000000 ] - [ 0.0026382900000000, 0.0008661700000000, -0.0008949500000000 ] - [ 0.0000878800000000, 0.0004490900000000, -0.0002763300000000 ] - [ -0.0001642100000000, 0.0004674200000000, -0.0000849900000000 ] - [ -0.0005019700000000, -0.0004917300000000, 0.0011094100000000 ] - [ -0.0000798200000000, 0.0003318100000000, 0.0003926600000000 ] - [ -0.0000752600000000, 0.0004014700000000, 0.0002479600000000 ] - [ 0.0001348300000000, 0.0003930600000000, -0.0000116100000000 ] - [ -0.0005096600000000, -0.0004569800000000, 0.0007515400000000 ] - [ 0.0004242900000000, -0.0006764500000000, 0.0005065800000000 ] - [ 0.0003007400000000, -0.0005112500000000, -0.0002073200000000 ] - [ -0.0000451800000000, -0.0004761600000000, 0.0001785700000000 ] - [ 0.0029150700000000, -0.0007124200000000, 0.0011733200000000 ] - [ -0.0025063900000000, 0.0004060900000000, -0.0018294500000000 ] - [ -0.0004391300000000, -0.0003821300000000, -0.0002543300000000 ] - [ -0.0001701000000000, -0.0004403300000000, -0.0001607800000000 ] - [ -0.0001756300000000, 0.0005649900000000, -0.0000473600000000 ] - [ 0.0014211500000000, 0.0014844000000000, 0.0013236800000000 ] - [ -0.0010225000000000, 0.0008133200000000, -0.0020073900000000 ] - [ -0.0002715400000000, 0.0004934400000000, -0.0002919000000000 ] - [ 0.0005224100000000, 0.0002509600000000, 0.0002805900000000 ] - [ -0.0000763000000000, 0.0002753900000000, -0.0000616000000000 ] - [ 0.0002805800000000, 0.0003189900000000, 0.0002476400000000 ] - [ 0.0004961600000000, 0.0003741800000000, 0.0003664500000000 ] - [ -0.0023645200000000, -0.0018821600000000, -0.0019463000000000 ] - [ 0.0002440900000000, -0.0005932300000000, 0.0001060900000000 ] - [ 0.0002522900000000, -0.0004926500000000, 0.0002151000000000 ] - [ 0.0003644600000000, -0.0005804800000000, 0.0003787100000000 ] - [ 0.0030990000000000, -0.0031682300000000, -0.0019312600000000 ] - [ 0.0001318600000000, -0.0002354600000000, -0.0001161800000000 ] - [ 0.0003346800000000, 0.0000508100000000, -0.0000103800000000 ] - [ 0.0004891400000000, 0.0000730500000000, 0.0000719000000000 ] - [ 0.0022473200000000, -0.0009344200000000, -0.0037976100000000 ] - [ -0.0000399200000000, -0.0001873300000000, -0.0002791600000000 ] - [ 0.0002666500000000, -0.0000143000000000, 0.0000325500000000 ] - [ 0.0003684300000000, -0.0001170500000000, 0.0002739700000000 ] - [ -0.0002611000000000, -0.0001699600000000, -0.0001033800000000 ] - [ -0.0010541500000000, -0.0017934000000000, -0.0004829300000000 ] - [ -0.0004760900000000, -0.0003732600000000, 0.0001869900000000 ] - [ -0.0003724900000000, -0.0000918100000000, 0.0000663500000000 ] - [ -0.0002284100000000, 0.0001132200000000, 0.0001539100000000 ] - [ -0.0006284600000000, -0.0003833500000000, 0.0007361000000000 ] - [ -0.0005954500000000, -0.0001733300000000, -0.0006499900000000 ] - [ -0.0001715500000000, -0.0000516900000000, -0.0001173200000000 ] - [ -0.0012961900000000, -0.0000162300000000, -0.0007127100000000 ] - [ -0.0014246400000000, -0.0039019100000000, 0.0009252900000000 ] - [ 0.0002331100000000, -0.0000735000000000, 0.0002029400000000 ] - [ -0.0001019600000000, -0.0000048200000000, 0.0000063600000000 ] - [ -0.0001641900000000, -0.0003324800000000, -0.0001540700000000 ] - [ -0.0019944100000000, -0.0051329500000000, 0.0039799300000000 ] - [ 0.0003589100000000, -0.0004585600000000, 0.0008518700000000 ] - [ 0.0000505300000000, -0.0002590900000000, 0.0001483200000000 ] - [ -0.0002949600000000, 0.0008990700000000, 0.0005082700000000 ] - [ 0.0003678300000000, 0.0004310800000000, 0.0002221500000000 ] - [ 0.0001902000000000, 0.0004514600000000, -0.0001607500000000 ] - [ -0.0002346200000000, 0.0004723100000000, -0.0003208000000000 ] - [ 0.0004847100000000, -0.0008888000000000, 0.0002246100000000 ] - [ 0.0001268000000000, 0.0003370600000000, 0.0000063700000000 ] - [ 0.0000253000000000, 0.0001109200000000, -0.0000576600000000 ] - [ -0.0000357800000000, 0.0001831800000000, -0.0001391000000000 ] - [ -0.0001124100000000, 0.0002498400000000, 0.0002096800000000 ] - [ -0.0005986700000000, -0.0030200500000000, -0.0013957700000000 ] - [ 0.0005629000000000, 0.0002793200000000, -0.0015444300000000 ] - [ -0.0001120800000000, 0.0003313200000000, -0.0001229700000000 ] - [ -0.0033249500000000, -0.0041742200000000, -0.0011753400000000 ] - [ -0.0013182700000000, -0.0010882200000000, 0.0007216700000000 ] - [ -0.0001920900000000, -0.0005964500000000, 0.0000844100000000 ] - [ 0.0000956600000000, -0.0006515600000000, -0.0002997600000000 ] - [ -0.0005712700000000, 0.0033463800000000, -0.0001674200000000 ] - [ 0.0002372400000000, 0.0001445800000000, -0.0000863200000000 ] - [ 0.0001133800000000, -0.0002682400000000, -0.0000495600000000 ] - [ -0.0000032300000000, -0.0000661700000000, 0.0001653600000000 ] - [ 0.0004766800000000, 0.0006847800000000, -0.0003895100000000 ] - [ -0.0004088600000000, 0.0012785200000000, -0.0010207200000000 ] - [ -0.0002518400000000, 0.0007522600000000, 0.0007997300000000 ] - [ 0.0003222800000000, 0.0006067500000000, 0.0001138900000000 ] - [ 0.0014385300000000, -0.0038061600000000, 0.0013584200000000 ] - [ 0.0006935200000000, 0.0004119300000000, -0.0006194000000000 ] - [ 0.0003751900000000, 0.0006114000000000, -0.0002432000000000 ] - [ -0.0007747200000000, 0.0001805000000000, 0.0012296000000000 ] - [ 0.0012794200000000, -0.0012478700000000, -0.0011926800000000 ] - [ 0.0002156700000000, -0.0041587400000000, 0.0004762700000000 ] - [ 0.0001335900000000, -0.0011230100000000, -0.0002085300000000 ] - [ 0.0005066000000000, -0.0008908400000000, -0.0005897200000000 ] - [ -0.0003443500000000, -0.0004878700000000, 0.0004112200000000 ] - [ -0.0006163900000000, 0.0011624100000000, 0.0011219100000000 ] - [ -0.0001844900000000, 0.0006473600000000, -0.0003143600000000 ] - [ -0.0003563200000000, -0.0004694200000000, 0.0002164200000000 ] - [ 0.0006939600000000, 0.0019111800000000, 0.0000628000000000 ] - [ -0.0012282700000000, 0.0011040200000000, 0.0001995000000000 ] - [ -0.0006236200000000, 0.0007572000000000, 0.0007415800000000 ] - [ -0.0002735600000000, 0.0008676800000000, 0.0004612300000000 ] - [ 0.0002292100000000, -0.0034636300000000, -0.0006984800000000 ] - [ 0.0016752500000000, -0.0001968600000000, 0.0006551800000000 ] - [ 0.0002466800000000, 0.0003688400000000, -0.0005064600000000 ] - [ -0.0001407700000000, 0.0002474000000000, -0.0005627100000000 ] - [ -0.0000348900000000, -0.0006530800000000, -0.0006154700000000 ] - [ -0.0010288700000000, -0.0013751200000000, -0.0015922600000000 ] - [ 0.0003653000000000, -0.0042293400000000, -0.0002856900000000 ] - [ 0.0003407800000000, -0.0007154900000000, -0.0001299200000000 ] - [ -0.0002710200000000, -0.0000814600000000, 0.0005167200000000 ] - [ 0.0002338800000000, 0.0015072300000000, 0.0007172300000000 ] - [ 0.0000198300000000, 0.0000077800000000, 0.0003669200000000 ] - [ -0.0001948900000000, -0.0003045500000000, 0.0003361400000000 ] - [ 0.0017560100000000, 0.0016558400000000, 0.0021391800000000 ] - [ -0.0001530200000000, 0.0007062300000000, 0.0006371300000000 ] - [ -0.0001294000000000, 0.0005492800000000, 0.0003679700000000 ] - [ 0.0001518000000000, 0.0010254300000000, -0.0001795900000000 ]- atom: 1 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ 0.0356398300000000, 0.0011365500000000, -0.0409820700000000 ] - [ -0.0031707200000000, -0.0000774400000000, -0.0012585000000000 ] - [ -0.0007755700000000, 0.0000282500000000, 0.0007387000000000 ] - [ 0.0008032200000000, 0.0001473500000000, 0.0029139100000000 ] - [ -0.0043646000000000, 0.0012157100000000, 0.0045586600000000 ] - [ 0.0016477200000000, -0.0005735500000000, -0.0012085200000000 ] - [ -0.0044877100000000, -0.0012656300000000, 0.0043750300000000 ] - [ 0.0015673700000000, 0.0004044700000000, -0.0012809300000000 ] - [ -0.0010765900000000, -0.0000834500000000, -0.0005736000000000 ] - [ 0.0020624400000000, -0.0020698200000000, -0.0017607700000000 ] - [ 0.0010515400000000, 0.0002781800000000, 0.0012655300000000 ] - [ -0.0009212300000000, -0.0000549500000000, 0.0007844200000000 ] - [ -0.0002207900000000, 0.0000568000000000, -0.0008821600000000 ] - [ -0.0006582600000000, -0.0010746700000000, -0.0001668400000000 ] - [ 0.0004579000000000, 0.0001826700000000, 0.0009254200000000 ] - [ -0.0005049700000000, 0.0000426400000000, 0.0012806200000000 ] - [ 0.0007591500000000, -0.0012442900000000, -0.0019379400000000 ] - [ -0.0008422700000000, -0.0001947800000000, 0.0001190100000000 ] - [ -0.0004144100000000, 0.0001635000000000, 0.0003866600000000 ] - [ -0.0003968500000000, 0.0005845500000000, 0.0007771000000000 ] - [ -0.0007956800000000, -0.0005983400000000, 0.0004917200000000 ] - [ 0.0009326000000000, 0.0007896200000000, -0.0009187200000000 ] - [ -0.0005031900000000, 0.0000586300000000, 0.0010270400000000 ] - [ -0.0003354700000000, -0.0000526900000000, 0.0002854800000000 ] - [ 0.0002362900000000, 0.0000947400000000, -0.0001570600000000 ] - [ 0.0002856400000000, 0.0013422900000000, 0.0007731200000000 ] - [ 0.0005465100000000, -0.0005375600000000, 0.0000321400000000 ] - [ 0.0002074100000000, 0.0000259400000000, -0.0003404900000000 ] - [ -0.0000728500000000, -0.0011052500000000, -0.0004949800000000 ] - [ 0.0002031600000000, 0.0010693400000000, -0.0010558200000000 ] - [ 0.0003249200000000, -0.0001748900000000, 0.0000022300000000 ] - [ 0.0004130000000000, -0.0003646400000000, 0.0003078800000000 ] - [ -0.0002279800000000, -0.0004425600000000, 0.0000262000000000 ] - [ -0.0001141500000000, -0.0000575400000000, 0.0008599400000000 ] - [ 0.0015310900000000, -0.0026415100000000, 0.0025446400000000 ] - [ -0.0004687500000000, -0.0004526500000000, 0.0001067400000000 ] - [ -0.0014943700000000, -0.0002739300000000, -0.0007100600000000 ] - [ -0.0027649300000000, 0.0017159100000000, -0.0028167200000000 ] - [ -0.0003874300000000, 0.0004675100000000, 0.0004546300000000 ] - [ -0.0002886900000000, 0.0004848000000000, 0.0005308500000000 ] - [ 0.0009843200000000, 0.0002148400000000, -0.0006556400000000 ] - [ -0.0004001300000000, 0.0004457900000000, 0.0004377000000000 ] - [ -0.0002957600000000, 0.0004067400000000, 0.0005849800000000 ] - [ -0.0001773700000000, 0.0003105400000000, 0.0007241500000000 ] - [ -0.0005944500000000, -0.0006113500000000, 0.0002805100000000 ] - [ 0.0003004500000000, -0.0004086400000000, -0.0005985800000000 ] - [ -0.0005308200000000, -0.0003921100000000, 0.0011348600000000 ] - [ -0.0000021200000000, -0.0003614900000000, 0.0004173700000000 ] - [ -0.0044404500000000, 0.0003960600000000, -0.0027262100000000 ] - [ -0.0027194700000000, -0.0002456900000000, -0.0022526300000000 ] - [ 0.0001105300000000, -0.0005873200000000, 0.0002805800000000 ] - [ -0.0000244900000000, -0.0004755400000000, 0.0001924000000000 ] - [ -0.0007866300000000, 0.0003969200000000, -0.0004472700000000 ] - [ 0.0029045300000000, 0.0009564500000000, 0.0026422900000000 ] - [ 0.0032783600000000, 0.0013423400000000, 0.0050717300000000 ] - [ -0.0007418800000000, 0.0004033200000000, -0.0004207200000000 ] - [ -0.0002478100000000, 0.0005862200000000, -0.0001638700000000 ] - [ 0.0002536300000000, 0.0006088800000000, -0.0002656000000000 ] - [ 0.0004133800000000, 0.0004923100000000, 0.0005178200000000 ] - [ 0.0003894500000000, 0.0004325800000000, 0.0003626400000000 ] - [ 0.0015010600000000, -0.0002060100000000, 0.0006787900000000 ] - [ -0.0004740900000000, -0.0004881500000000, -0.0002658700000000 ] - [ 0.0001150800000000, -0.0004922800000000, 0.0002117800000000 ] - [ 0.0009256400000000, -0.0004212300000000, 0.0009224700000000 ] - [ 0.0003263600000000, 0.0034872700000000, 0.0006145000000000 ] - [ 0.0000652900000000, -0.0002881700000000, -0.0004111300000000 ] - [ 0.0001710400000000, 0.0000277700000000, 0.0002102600000000 ] - [ 0.0005629900000000, -0.0000317000000000, 0.0002300900000000 ] - [ -0.0018121600000000, 0.0037186600000000, 0.0018924300000000 ] - [ -0.0000822300000000, -0.0001336100000000, -0.0002386100000000 ] - [ 0.0001646100000000, -0.0000871600000000, 0.0002143000000000 ] - [ 0.0008251900000000, -0.0006923800000000, 0.0000862900000000 ] - [ -0.0006867300000000, 0.0000450000000000, 0.0000222700000000 ] - [ 0.0006843200000000, -0.0000655100000000, -0.0018999600000000 ] - [ -0.0004550000000000, -0.0003412600000000, 0.0005531200000000 ] - [ -0.0004833400000000, -0.0000382800000000, 0.0002681800000000 ] - [ -0.0003637700000000, 0.0001609600000000, 0.0000941600000000 ] - [ -0.0009520300000000, -0.0007332100000000, 0.0014531800000000 ] - [ 0.0004925300000000, -0.0005447500000000, -0.0008443600000000 ] - [ -0.0007408900000000, 0.0005069900000000, 0.0004739800000000 ] - [ 0.0016812200000000, -0.0005798200000000, 0.0016450900000000 ] - [ -0.0024001200000000, -0.0014413900000000, 0.0028156900000000 ] - [ -0.0003124300000000, 0.0000423100000000, -0.0007142800000000 ] - [ 0.0003180200000000, -0.0001406300000000, -0.0008433000000000 ] - [ 0.0004825200000000, -0.0000136400000000, 0.0004154000000000 ] - [ -0.0056905900000000, -0.0044430600000000, 0.0088935300000000 ] - [ -0.0022116200000000, -0.0007416700000000, -0.0017142400000000 ] - [ 0.0007993600000000, -0.0002441900000000, -0.0004776200000000 ] - [ 0.0004151300000000, -0.0010360800000000, -0.0005073500000000 ] - [ -0.0001253500000000, -0.0001228500000000, 0.0003068500000000 ] - [ 0.0004861200000000, 0.0004121900000000, -0.0006298400000000 ] - [ -0.0003774600000000, 0.0000617400000000, -0.0000049500000000 ] - [ -0.0022343700000000, -0.0005269700000000, 0.0022673900000000 ] - [ 0.0008487800000000, 0.0000921200000000, 0.0003549100000000 ] - [ 0.0003517600000000, 0.0000555800000000, -0.0003885400000000 ] - [ -0.0003638100000000, 0.0001013700000000, -0.0008568700000000 ] - [ 0.0008664400000000, 0.0002475900000000, 0.0001914600000000 ] - [ -0.0017059800000000, 0.0010815900000000, 0.0024346600000000 ] - [ -0.0005194100000000, 0.0010180000000000, -0.0014521600000000 ] - [ 0.0002761500000000, 0.0004381500000000, -0.0002018100000000 ] - [ -0.0041390700000000, -0.0015849300000000, 0.0011105400000000 ] - [ 0.0024057700000000, -0.0014164800000000, 0.0007894100000000 ] - [ -0.0000212500000000, -0.0003100900000000, -0.0005554000000000 ] - [ -0.0000029000000000, -0.0001863900000000, -0.0014632500000000 ] - [ -0.0008957300000000, -0.0006564500000000, 0.0019465900000000 ] - [ 0.0009785800000000, -0.0000823100000000, 0.0002806100000000 ] - [ 0.0002868200000000, -0.0004075600000000, -0.0004833100000000 ] - [ -0.0000788600000000, -0.0005819000000000, -0.0008882600000000 ] - [ 0.0008796900000000, 0.0008323100000000, -0.0003314500000000 ] - [ -0.0007600900000000, 0.0002526900000000, 0.0006970800000000 ] - [ 0.0003649900000000, -0.0006346800000000, -0.0013064700000000 ] - [ 0.0002844800000000, 0.0004572700000000, 0.0000930600000000 ] - [ -0.0028505900000000, 0.0006568200000000, 0.0036619900000000 ] - [ 0.0017171900000000, 0.0008487300000000, -0.0003013100000000 ] - [ 0.0006052800000000, 0.0005846400000000, -0.0007688200000000 ] - [ 0.0002653100000000, 0.0001044600000000, -0.0019741000000000 ] - [ 0.0022969700000000, -0.0000405500000000, -0.0000561800000000 ] - [ -0.0031865300000000, -0.0007015400000000, 0.0022083000000000 ] - [ 0.0005076800000000, -0.0007477400000000, -0.0020608500000000 ] - [ 0.0005480000000000, -0.0006929200000000, -0.0010455700000000 ] - [ 0.0000738100000000, -0.0007269200000000, 0.0001493700000000 ] - [ -0.0005016600000000, -0.0015596100000000, -0.0006340700000000 ] - [ -0.0014481000000000, -0.0000655000000000, 0.0005823400000000 ] - [ 0.0001985400000000, -0.0007586900000000, 0.0004588200000000 ] - [ 0.0002002700000000, 0.0017615200000000, 0.0009134800000000 ] - [ -0.0002120800000000, 0.0000097800000000, 0.0017401200000000 ] - [ 0.0000102200000000, 0.0006909800000000, -0.0004986500000000 ] - [ -0.0005949200000000, 0.0007886500000000, -0.0003613800000000 ] - [ -0.0047144300000000, 0.0031233500000000, 0.0032385000000000 ] - [ 0.0018958400000000, 0.0004553600000000, 0.0014523100000000 ] - [ 0.0002618500000000, 0.0005859700000000, -0.0015188000000000 ] - [ -0.0004106300000000, 0.0004913500000000, -0.0010337700000000 ] - [ 0.0009704900000000, -0.0002506600000000, -0.0007868200000000 ] - [ -0.0025576900000000, -0.0004560700000000, -0.0025417200000000 ] - [ -0.0036878200000000, 0.0012150100000000, 0.0057487900000000 ] - [ 0.0008254200000000, -0.0004503700000000, -0.0000600500000000 ] - [ 0.0006470900000000, -0.0005881500000000, 0.0008419200000000 ] - [ -0.0010271200000000, -0.0004236300000000, 0.0023814600000000 ] - [ -0.0001286300000000, -0.0002617500000000, -0.0002649300000000 ] - [ 0.0001191900000000, -0.0004580200000000, 0.0000254700000000 ] - [ -0.0014396300000000, 0.0007699300000000, 0.0007558300000000 ] - [ 0.0009541200000000, 0.0001079900000000, 0.0004216900000000 ] - [ 0.0000820600000000, 0.0003910500000000, 0.0003992000000000 ] - [ -0.0001457400000000, 0.0014116700000000, -0.0009006300000000 ]- atom: 1 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ -0.0354275800000000, -0.0009691800000000, 0.0407659200000000 ] - [ 0.0031345300000000, 0.0002599500000000, 0.0009505000000000 ] - [ 0.0007356100000000, 0.0001538300000000, -0.0010475000000000 ] - [ -0.0008423800000000, 0.0000370700000000, -0.0032246500000000 ] - [ 0.0042932300000000, -0.0013853400000000, -0.0048294900000000 ] - [ -0.0017011600000000, 0.0003865800000000, 0.0008831300000000 ] - [ 0.0044829600000000, 0.0011003300000000, -0.0047176400000000 ] - [ -0.0015956900000000, -0.0005850600000000, 0.0009863200000000 ] - [ 0.0011135000000000, -0.0000984500000000, 0.0008818100000000 ] - [ -0.0020124100000000, 0.0018796600000000, 0.0020577000000000 ] - [ -0.0010152100000000, -0.0004634900000000, -0.0009536900000000 ] - [ 0.0009631600000000, -0.0001282900000000, -0.0004759200000000 ] - [ 0.0002667000000000, 0.0001273100000000, 0.0011899300000000 ] - [ 0.0006899800000000, 0.0012598700000000, 0.0004815300000000 ] - [ -0.0004202800000000, -0.0000017900000000, -0.0006221500000000 ] - [ 0.0005452000000000, 0.0001389500000000, -0.0009711100000000 ] - [ -0.0014483900000000, 0.0012767400000000, 0.0024231200000000 ] - [ 0.0001399300000000, 0.0002482500000000, 0.0003653300000000 ] - [ -0.0002873300000000, -0.0001116000000000, 0.0000961500000000 ] - [ -0.0003049000000000, -0.0005308700000000, -0.0002931100000000 ] - [ 0.0000924700000000, 0.0005431800000000, -0.0000065900000000 ] - [ -0.0016338900000000, -0.0008240300000000, 0.0013824300000000 ] - [ -0.0001981300000000, -0.0001127000000000, -0.0005450800000000 ] - [ -0.0003663100000000, -0.0000005900000000, 0.0001989600000000 ] - [ 0.0004651200000000, -0.0001457000000000, -0.0003258600000000 ] - [ 0.0004169100000000, -0.0014087900000000, -0.0012644900000000 ] - [ 0.0001533700000000, 0.0004877400000000, -0.0005137800000000 ] - [ 0.0004945400000000, -0.0000780000000000, -0.0001432500000000 ] - [ 0.0007742400000000, 0.0011619000000000, 0.0000011900000000 ] - [ 0.0004957300000000, -0.0010241000000000, 0.0005790600000000 ] - [ 0.0003767300000000, 0.0002262400000000, -0.0004858500000000 ] - [ 0.0002883700000000, 0.0004141300000000, -0.0007905200000000 ] - [ 0.0003052400000000, -0.0003932100000000, -0.0005440300000000 ] - [ 0.0002042600000000, -0.0007711400000000, -0.0013860400000000 ] - [ -0.0014785100000000, 0.0018220800000000, -0.0030582300000000 ] - [ 0.0005484600000000, -0.0003831900000000, -0.0006271300000000 ] - [ 0.0015675700000000, 0.0011010100000000, 0.0001719500000000 ] - [ 0.0028246200000000, -0.0008864400000000, 0.0023339800000000 ] - [ 0.0004685400000000, 0.0003680800000000, -0.0009767600000000 ] - [ 0.0003663400000000, 0.0003510400000000, -0.0010493500000000 ] - [ -0.0010653500000000, 0.0006203500000000, 0.0011775400000000 ] - [ 0.0003213300000000, 0.0003898000000000, 0.0000819200000000 ] - [ 0.0002169300000000, 0.0004289000000000, -0.0000659700000000 ] - [ 0.0001027100000000, 0.0005262200000000, -0.0002094900000000 ] - [ 0.0005154500000000, -0.0002261500000000, 0.0002362600000000 ] - [ -0.0003819700000000, -0.0004247500000000, 0.0011180800000000 ] - [ 0.0004545100000000, -0.0004439400000000, -0.0006188000000000 ] - [ -0.0000766900000000, -0.0004747900000000, 0.0001021500000000 ] - [ 0.0039146500000000, -0.0013431900000000, 0.0023663100000000 ] - [ 0.0022383300000000, -0.0007156300000000, 0.0019079500000000 ] - [ -0.0005988700000000, -0.0003732200000000, -0.0006338300000000 ] - [ -0.0004607300000000, -0.0004855600000000, -0.0005430700000000 ] - [ 0.0002981500000000, 0.0005636000000000, 0.0000941400000000 ] - [ -0.0033708900000000, 0.0000088200000000, -0.0029797300000000 ] - [ -0.0037886200000000, -0.0003920400000000, -0.0054855700000000 ] - [ 0.0002578900000000, 0.0005583700000000, 0.0000706800000000 ] - [ 0.0007337900000000, 0.0003749500000000, 0.0005144500000000 ] - [ 0.0002310300000000, 0.0003519100000000, 0.0006170100000000 ] - [ 0.0000730900000000, 0.0004682900000000, -0.0001665200000000 ] - [ 0.0000989100000000, 0.0005281200000000, -0.0000095400000000 ] - [ -0.0010068500000000, -0.0007531200000000, -0.0003194900000000 ] - [ 0.0009618800000000, -0.0004735400000000, 0.0006180200000000 ] - [ 0.0003705200000000, -0.0004689600000000, 0.0001388400000000 ] - [ -0.0004388100000000, -0.0005406000000000, -0.0005709700000000 ] - [ 0.0004018900000000, -0.0033029500000000, -0.0007027600000000 ] - [ 0.0006632000000000, 0.0004427900000000, 0.0003165500000000 ] - [ 0.0005580400000000, 0.0001265600000000, -0.0003046700000000 ] - [ 0.0001652100000000, 0.0001860000000000, -0.0003237600000000 ] - [ 0.0025656800000000, -0.0039228000000000, -0.0020133200000000 ] - [ 0.0008147000000000, -0.0000192600000000, 0.0001459100000000 ] - [ 0.0005637500000000, -0.0000668500000000, -0.0003083300000000 ] - [ -0.0000946400000000, 0.0005355000000000, -0.0001822800000000 ] - [ -0.0000418500000000, -0.0001978700000000, 0.0000718300000000 ] - [ -0.0014179200000000, -0.0000915800000000, 0.0019981900000000 ] - [ -0.0002730300000000, 0.0001877500000000, -0.0004601100000000 ] - [ -0.0002453500000000, -0.0001149200000000, -0.0001733800000000 ] - [ -0.0003652600000000, -0.0000077600000000, -0.0000005000000000 ] - [ 0.0002234800000000, 0.0008896100000000, -0.0013603900000000 ] - [ -0.0012225800000000, 0.0006989600000000, 0.0009432900000000 ] - [ 0.0000137600000000, -0.0003560100000000, -0.0003815800000000 ] - [ -0.0017126200000000, 0.0006782300000000, -0.0016342700000000 ] - [ 0.0025094900000000, 0.0016984600000000, -0.0028825400000000 ] - [ 0.0002760200000000, 0.0000580100000000, 0.0007215300000000 ] - [ -0.0003533300000000, 0.0002399800000000, 0.0008429300000000 ] - [ -0.0005141500000000, -0.0000880500000000, -0.0004127500000000 ] - [ 0.0054768600000000, 0.0040831800000000, -0.0084734400000000 ] - [ 0.0021891900000000, 0.0006442200000000, 0.0017257500000000 ] - [ -0.0008387100000000, 0.0001439900000000, 0.0004818100000000 ] - [ -0.0003799700000000, 0.0009302400000000, 0.0005038400000000 ] - [ 0.0001643500000000, 0.0000221800000000, -0.0003100800000000 ] - [ -0.0004496700000000, -0.0005157500000000, 0.0006255200000000 ] - [ 0.0004124300000000, -0.0001610100000000, -0.0000007400000000 ] - [ 0.0022766500000000, 0.0006033300000000, -0.0022832200000000 ] - [ -0.0008152100000000, 0.0000103800000000, -0.0003575800000000 ] - [ -0.0003150300000000, 0.0000463700000000, 0.0003852200000000 ] - [ 0.0003989500000000, 0.0000019800000000, 0.0008549700000000 ] - [ -0.0010614500000000, 0.0005300300000000, -0.0000836700000000 ] - [ 0.0015244800000000, -0.0002453700000000, -0.0022620600000000 ] - [ 0.0003296800000000, -0.0002447800000000, 0.0015586000000000 ] - [ -0.0004763800000000, 0.0003412700000000, 0.0003096900000000 ] - [ 0.0038902900000000, 0.0007827600000000, -0.0010306100000000 ] - [ -0.0026207900000000, 0.0006479700000000, -0.0006966800000000 ] - [ -0.0001776300000000, -0.0004696100000000, 0.0006662700000000 ] - [ -0.0001951000000000, -0.0005907400000000, 0.0015690500000000 ] - [ 0.0010891100000000, -0.0001197100000000, -0.0020479700000000 ] - [ -0.0007787000000000, -0.0006981500000000, -0.0003890400000000 ] - [ -0.0000877700000000, -0.0003719600000000, 0.0003757400000000 ] - [ 0.0002757900000000, -0.0001982800000000, 0.0007821900000000 ] - [ -0.0006799700000000, -0.0000505500000000, 0.0002230900000000 ] - [ 0.0009567000000000, 0.0005205800000000, -0.0007980700000000 ] - [ -0.0001681900000000, 0.0014214900000000, 0.0012024300000000 ] - [ -0.0000873100000000, 0.0003223100000000, -0.0002028300000000 ] - [ 0.0035107300000000, 0.0006878700000000, -0.0044761800000000 ] - [ -0.0010184200000000, 0.0004628700000000, -0.0004718000000000 ] - [ 0.0000987400000000, 0.0007286700000000, -0.0000025700000000 ] - [ 0.0004261700000000, 0.0011990200000000, 0.0012057900000000 ] - [ -0.0015895900000000, -0.0012669000000000, -0.0007065500000000 ] - [ 0.0039066300000000, -0.0006145000000000, -0.0029384600000000 ] - [ 0.0001903800000000, -0.0005611800000000, 0.0012947400000000 ] - [ 0.0001521700000000, -0.0006180500000000, 0.0002716900000000 ] - [ -0.0007738500000000, -0.0005872400000000, 0.0006228800000000 ] - [ -0.0002031800000000, 0.0002555600000000, 0.0014160000000000 ] - [ 0.0007518300000000, -0.0012470600000000, 0.0001850500000000 ] - [ -0.0008989200000000, -0.0005526500000000, 0.0003124100000000 ] - [ -0.0009002700000000, -0.0004520900000000, -0.0001329700000000 ] - [ -0.0004831900000000, 0.0013052500000000, -0.0009719400000000 ] - [ -0.0007130600000000, 0.0006250500000000, 0.0012737600000000 ] - [ -0.0001063500000000, 0.0005291400000000, 0.0011332300000000 ] - [ 0.0044275100000000, -0.0020149600000000, -0.0040691200000000 ] - [ -0.0018585900000000, 0.0004254200000000, -0.0024129600000000 ] - [ -0.0002246200000000, 0.0002929600000000, 0.0005668600000000 ] - [ 0.0004485700000000, 0.0003881600000000, 0.0000758000000000 ] - [ -0.0009296900000000, -0.0006284500000000, -0.0001690400000000 ] - [ 0.0025804900000000, -0.0004265900000000, 0.0015816700000000 ] - [ 0.0039190500000000, -0.0022558000000000, -0.0072336100000000 ] - [ -0.0007943500000000, -0.0004297900000000, -0.0008970300000000 ] - [ -0.0006843300000000, -0.0002923300000000, 0.0001146700000000 ] - [ 0.0009934300000000, -0.0004582300000000, -0.0014281600000000 ] - [ 0.0000911200000000, -0.0006182400000000, 0.0012220100000000 ] - [ -0.0001578000000000, -0.0004222900000000, 0.0009285100000000 ] - [ 0.0013985300000000, 0.0001091200000000, 0.0001916400000000 ] - [ -0.0009923100000000, 0.0007755800000000, 0.0005339200000000 ] - [ -0.0001177900000000, 0.0004894200000000, 0.0005572500000000 ] - [ 0.0001083000000000, -0.0005336800000000, 0.0018576000000000 ]- atom: 17 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ 0.0000758100000000, -0.0024138100000000, 0.0014672900000000 ] - [ 0.0005270200000000, 0.0004605400000000, -0.0003094900000000 ] - [ 0.0000600700000000, 0.0001206000000000, -0.0001672300000000 ] - [ -0.0001047000000000, 0.0000818300000000, -0.0002975800000000 ] - [ -0.0000649300000000, 0.0000316800000000, -0.0004109100000000 ] - [ 0.0000953400000000, -0.0001193000000000, -0.0000224700000000 ] - [ 0.0002647400000000, -0.0003411200000000, -0.0004984700000000 ] - [ 0.0000700300000000, 0.0023786700000000, 0.0016795900000000 ] - [ 0.0001632100000000, -0.0001300900000000, 0.0001327600000000 ] - [ 0.0000585200000000, -0.0001883400000000, 0.0000954800000000 ] - [ -0.0004471300000000, -0.0001933100000000, -0.0000158800000000 ] - [ 0.0002305900000000, -0.0001374400000000, 0.0001555600000000 ] - [ 0.0002295100000000, -0.0011953800000000, -0.0002336200000000 ] - [ 0.0003791300000000, 0.0005451300000000, 0.0002956000000000 ] - [ 0.0000476500000000, 0.0001004700000000, 0.0001449200000000 ] - [ 0.0000062500000000, 0.0000327000000000, 0.0002244800000000 ] - [ -0.0358589900000000, 0.0374821500000000, 0.0373523300000000 ] - [ -0.0001677300000000, 0.0000146300000000, 0.0002414900000000 ] - [ -0.0003386900000000, 0.0000161900000000, 0.0002381000000000 ] - [ -0.0003640200000000, 0.0000673600000000, 0.0002575700000000 ] - [ -0.0003476700000000, -0.0000037500000000, 0.0002205500000000 ] - [ -0.0003628500000000, -0.0000789400000000, 0.0002857000000000 ] - [ -0.0003480700000000, -0.0000153400000000, 0.0002269900000000 ] - [ -0.0003627700000000, -0.0000698500000000, 0.0002654000000000 ] - [ 0.0003623500000000, -0.0000739900000000, -0.0002800300000000 ] - [ 0.0003358300000000, 0.0000602900000000, -0.0001944600000000 ] - [ 0.0007080500000000, 0.0000552600000000, -0.0011730500000000 ] - [ 0.0004677000000000, -0.0000057800000000, -0.0001311400000000 ] - [ 0.0003714700000000, -0.0000572400000000, -0.0002251100000000 ] - [ 0.0003665200000000, 0.0000046700000000, -0.0002190500000000 ] - [ 0.0003592100000000, 0.0000262800000000, -0.0002458900000000 ] - [ 0.0003281400000000, 0.0000018800000000, -0.0002423200000000 ] - [ 0.0001195800000000, -0.0004055300000000, -0.0003503900000000 ] - [ -0.0000554300000000, -0.0004287400000000, -0.0001687100000000 ] - [ 0.0033573000000000, -0.0230000900000000, -0.0117104200000000 ] - [ 0.0001416600000000, -0.0004085600000000, -0.0002167000000000 ] - [ -0.0000494700000000, 0.0005391700000000, -0.0001530600000000 ] - [ 0.0000863900000000, 0.0003698300000000, -0.0002729000000000 ] - [ 0.0000710300000000, 0.0004143900000000, -0.0003025500000000 ] - [ 0.0000145000000000, 0.0004274000000000, -0.0002565000000000 ] - [ -0.0004552600000000, 0.0020100400000000, 0.0004392600000000 ] - [ 0.0000976000000000, 0.0003841400000000, 0.0001917100000000 ] - [ -0.0000042800000000, 0.0004196400000000, 0.0002334200000000 ] - [ -0.0000929900000000, 0.0004102100000000, 0.0003131600000000 ] - [ -0.0000701600000000, -0.0004451600000000, 0.0002959800000000 ] - [ -0.0000387900000000, -0.0004150300000000, 0.0002736600000000 ] - [ -0.0000072100000000, -0.0004210100000000, 0.0002152500000000 ] - [ -0.0000584000000000, -0.0004678600000000, 0.0002918500000000 ] - [ 0.0001675900000000, -0.0000481000000000, -0.0013135400000000 ] - [ 0.0002788700000000, -0.0006469900000000, 0.0003127800000000 ] - [ -0.0002270300000000, -0.0004803900000000, -0.0001845400000000 ] - [ -0.0002654400000000, -0.0004696600000000, -0.0001741600000000 ] - [ -0.0002160200000000, 0.0004946600000000, -0.0001659700000000 ] - [ -0.0002632000000000, 0.0004689000000000, -0.0001752900000000 ] - [ -0.0001833700000000, 0.0005714800000000, -0.0001171100000000 ] - [ -0.0001840300000000, 0.0004757800000000, -0.0001333200000000 ] - [ 0.0001599000000000, 0.0004622300000000, 0.0001084100000000 ] - [ 0.0003046500000000, 0.0004736500000000, 0.0002186000000000 ] - [ 0.0002586600000000, 0.0004834100000000, 0.0001248200000000 ] - [ 0.0006754300000000, 0.0004018600000000, 0.0004564600000000 ] - [ 0.0001847000000000, -0.0004708600000000, 0.0001630500000000 ] - [ 0.0003072600000000, -0.0004836000000000, 0.0002091100000000 ] - [ 0.0002669900000000, -0.0004798100000000, 0.0001864900000000 ] - [ 0.0002043000000000, -0.0004904800000000, 0.0001547000000000 ] - [ 0.0000803200000000, -0.0001171200000000, -0.0003846400000000 ] - [ 0.0004515800000000, 0.0001549200000000, -0.0000356100000000 ] - [ 0.0003991800000000, 0.0000744800000000, -0.0000712500000000 ] - [ 0.0002625400000000, 0.0002056600000000, 0.0000624400000000 ] - [ 0.0004114300000000, -0.0000927000000000, -0.0000842400000000 ] - [ 0.0003386700000000, -0.0000898000000000, -0.0000777600000000 ] - [ 0.0003601200000000, -0.0000749600000000, -0.0000524800000000 ] - [ 0.0003674300000000, -0.0000821600000000, -0.0000427700000000 ] - [ -0.0002564900000000, -0.0002373800000000, -0.0001858100000000 ] - [ -0.0004383000000000, 0.0001238000000000, 0.0002682800000000 ] - [ -0.0003794300000000, -0.0000881100000000, 0.0000233300000000 ] - [ -0.0003279800000000, -0.0000200300000000, 0.0000629000000000 ] - [ -0.0003502200000000, 0.0000732300000000, 0.0000375500000000 ] - [ -0.0003734400000000, 0.0000605000000000, 0.0000618500000000 ] - [ -0.0003804700000000, 0.0000341200000000, 0.0000710400000000 ] - [ -0.0003402800000000, 0.0000647600000000, 0.0000290700000000 ] - [ -0.0013886100000000, -0.0003342700000000, 0.0003979700000000 ] - [ -0.0011511300000000, 0.0002231100000000, -0.0002238900000000 ] - [ -0.0000310500000000, 0.0000344200000000, 0.0000072200000000 ] - [ -0.0000158800000000, 0.0000270600000000, 0.0000060500000000 ] - [ -0.0000926400000000, -0.0000599600000000, 0.0000431000000000 ] - [ 0.0000838500000000, -0.0000272600000000, -0.0001100700000000 ] - [ 0.0000203700000000, 0.0000953700000000, 0.0001063200000000 ] - [ -0.0001060600000000, -0.0000304100000000, 0.0000127600000000 ] - [ 0.0000853200000000, 0.0000204800000000, 0.0000178300000000 ] - [ -0.0000334200000000, -0.0000791000000000, -0.0000269400000000 ] - [ -0.0001111400000000, -0.0001026300000000, 0.0000944300000000 ] - [ -0.0000772400000000, 0.0004788200000000, -0.0007867000000000 ] - [ 0.0000804400000000, 0.0002249500000000, -0.0000159200000000 ] - [ -0.0000508100000000, 0.0000801100000000, 0.0000070200000000 ] - [ -0.0000098200000000, 0.0000660800000000, -0.0000049700000000 ] - [ 0.0000367900000000, 0.0000788800000000, 0.0000161600000000 ] - [ -0.0002027900000000, 0.0003828200000000, 0.0002159100000000 ] - [ -0.0000346800000000, 0.0003397300000000, -0.0001767600000000 ] - [ 0.0002546400000000, 0.0010613400000000, -0.0002243800000000 ] - [ -0.0000914700000000, 0.0002353300000000, 0.0000086200000000 ] - [ 0.0002646900000000, -0.0002679800000000, -0.0001479200000000 ] - [ -0.0002350500000000, -0.0003233200000000, 0.0000325300000000 ] - [ -0.0001403300000000, -0.0003819700000000, 0.0000695800000000 ] - [ -0.0000500900000000, -0.0003906900000000, 0.0000717800000000 ] - [ 0.0038710700000000, 0.0000554700000000, 0.0004217300000000 ] - [ -0.0001591900000000, -0.0003830700000000, -0.0000366300000000 ] - [ 0.0000394200000000, -0.0003934800000000, -0.0000378100000000 ] - [ 0.0001855900000000, -0.0003953100000000, -0.0001305200000000 ] - [ 0.0001103500000000, 0.0003913000000000, -0.0000593500000000 ] - [ 0.0001090400000000, 0.0004175400000000, -0.0000817700000000 ] - [ 0.0000917100000000, 0.0003400300000000, 0.0000062800000000 ] - [ 0.0000730300000000, 0.0004891000000000, -0.0000979300000000 ] - [ 0.0283944600000000, -0.0161944600000000, -0.0269720600000000 ] - [ -0.0000012300000000, 0.0006530600000000, -0.0004399600000000 ] - [ 0.0002568500000000, 0.0006473900000000, -0.0003299500000000 ] - [ 0.0004618300000000, 0.0006300600000000, -0.0004314100000000 ] - [ 0.0004010900000000, -0.0007829800000000, -0.0004032000000000 ] - [ 0.0002486100000000, -0.0005609300000000, -0.0004996500000000 ] - [ 0.0003314600000000, -0.0006282700000000, -0.0003133900000000 ] - [ 0.0003419500000000, -0.0006318000000000, -0.0004101600000000 ] - [ -0.0003966500000000, -0.0006190400000000, 0.0004262000000000 ] - [ -0.0002835000000000, -0.0007117300000000, 0.0003249000000000 ] - [ -0.0001356600000000, -0.0012331700000000, 0.0006104000000000 ] - [ -0.0005756600000000, -0.0005681100000000, 0.0003269800000000 ] - [ -0.0002436900000000, 0.0006532400000000, 0.0003654300000000 ] - [ -0.0004053500000000, 0.0006519200000000, 0.0003180500000000 ] - [ -0.0004001900000000, 0.0006605200000000, 0.0004123900000000 ] - [ -0.0002710600000000, 0.0007346600000000, 0.0003631800000000 ] - [ 0.0004239500000000, 0.0002488000000000, 0.0002877600000000 ] - [ -0.0004781200000000, 0.0005161900000000, -0.0008175800000000 ] - [ -0.0000540400000000, 0.0004363400000000, -0.0004233200000000 ] - [ 0.0001325400000000, 0.0003196300000000, -0.0005250200000000 ] - [ -0.0000099400000000, -0.0004639800000000, -0.0004675900000000 ] - [ 0.0000234300000000, -0.0004230200000000, -0.0004804500000000 ] - [ 0.0001571500000000, -0.0006262100000000, -0.0003375400000000 ] - [ 0.0000063600000000, -0.0004715100000000, -0.0005750900000000 ] - [ -0.0000583600000000, -0.0002700800000000, 0.0006899000000000 ] - [ 0.0001212800000000, -0.0005516300000000, 0.0003736900000000 ] - [ -0.0000065800000000, -0.0004335400000000, 0.0005560600000000 ] - [ -0.0003476100000000, -0.0003995900000000, 0.0002424800000000 ] - [ 0.0001321100000000, 0.0005034100000000, 0.0004891300000000 ] - [ -0.0001341200000000, 0.0004406700000000, 0.0004911800000000 ] - [ -0.0000577300000000, 0.0004396700000000, 0.0004830800000000 ] - [ 0.0000119500000000, 0.0004711600000000, 0.0004992700000000 ]- atom: 17 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ -0.0001438400000000, 0.0026007400000000, -0.0017904400000000 ] - [ -0.0005704000000000, -0.0002860200000000, 0.0000045600000000 ] - [ -0.0001000700000000, 0.0000607400000000, -0.0001426800000000 ] - [ 0.0000644800000000, 0.0000990800000000, -0.0000079700000000 ] - [ 0.0000285300000000, -0.0002133200000000, 0.0001017200000000 ] - [ -0.0001372500000000, -0.0000634400000000, -0.0002842700000000 ] - [ -0.0003081300000000, 0.0001548600000000, 0.0001838800000000 ] - [ -0.0000921100000000, -0.0025782300000000, -0.0020112100000000 ] - [ -0.0001235200000000, -0.0000507100000000, 0.0001774400000000 ] - [ -0.0000228000000000, 0.0000031800000000, 0.0002054400000000 ] - [ 0.0004863000000000, 0.0000119300000000, 0.0003266800000000 ] - [ -0.0001908100000000, -0.0000441100000000, 0.0001521200000000 ] - [ -0.0001803200000000, 0.0013876800000000, 0.0005429900000000 ] - [ -0.0003420900000000, -0.0003572200000000, 0.0000119800000000 ] - [ -0.0000094500000000, 0.0000820000000000, 0.0001638800000000 ] - [ 0.0000348900000000, 0.0001492800000000, 0.0000835200000000 ] - [ 0.0364456600000000, -0.0399564800000000, -0.0380463300000000 ] - [ -0.0005342200000000, 0.0000379700000000, 0.0002415200000000 ] - [ -0.0003630900000000, 0.0000361400000000, 0.0002455000000000 ] - [ -0.0003379100000000, -0.0000143300000000, 0.0002263200000000 ] - [ -0.0003539400000000, -0.0000479500000000, 0.0002628700000000 ] - [ -0.0003391500000000, 0.0000271300000000, 0.0001975400000000 ] - [ -0.0003543900000000, -0.0000374000000000, 0.0002572700000000 ] - [ -0.0003389500000000, 0.0000161700000000, 0.0002188600000000 ] - [ 0.0003395700000000, 0.0000231700000000, -0.0002025400000000 ] - [ 0.0003655100000000, -0.0001102000000000, -0.0002882900000000 ] - [ -0.0000098900000000, -0.0001064200000000, 0.0006820400000000 ] - [ 0.0002337200000000, -0.0000461100000000, -0.0003538800000000 ] - [ 0.0003303100000000, 0.0001090300000000, -0.0002577600000000 ] - [ 0.0003350300000000, 0.0000472500000000, -0.0002642400000000 ] - [ 0.0003423300000000, 0.0000240800000000, -0.0002369300000000 ] - [ 0.0003739700000000, 0.0000487400000000, -0.0002401300000000 ] - [ -0.0000417400000000, -0.0004303300000000, -0.0001674800000000 ] - [ 0.0001344500000000, -0.0004069200000000, -0.0003510900000000 ] - [ -0.0034600300000000, 0.0220980400000000, 0.0107719100000000 ] - [ -0.0000640100000000, -0.0004271900000000, -0.0003041200000000 ] - [ 0.0001289700000000, 0.0002959100000000, -0.0003662600000000 ] - [ -0.0000091600000000, 0.0004654100000000, -0.0002448000000000 ] - [ 0.0000075400000000, 0.0004212400000000, -0.0002166600000000 ] - [ 0.0000661800000000, 0.0004083200000000, -0.0002641100000000 ] - [ 0.0003548000000000, -0.0011746000000000, 0.0000833400000000 ] - [ -0.0001771200000000, 0.0004522100000000, 0.0003270700000000 ] - [ -0.0000741300000000, 0.0004161400000000, 0.0002856000000000 ] - [ 0.0000158900000000, 0.0004262500000000, 0.0002042200000000 ] - [ -0.0000077300000000, -0.0003900100000000, 0.0002224400000000 ] - [ -0.0000408200000000, -0.0004205300000000, 0.0002464000000000 ] - [ -0.0000709700000000, -0.0004151700000000, 0.0003033800000000 ] - [ -0.0000183600000000, -0.0003683400000000, 0.0002258000000000 ] - [ -0.0006403300000000, -0.0009184700000000, 0.0009780600000000 ] - [ -0.0007596500000000, -0.0003165200000000, -0.0006583200000000 ] - [ -0.0002595200000000, -0.0004807300000000, -0.0001668200000000 ] - [ -0.0002199500000000, -0.0004914500000000, -0.0001771200000000 ] - [ -0.0002694700000000, 0.0004664100000000, -0.0001847200000000 ] - [ -0.0002230600000000, 0.0004922400000000, -0.0001761700000000 ] - [ -0.0003076000000000, 0.0003983200000000, -0.0002290000000000 ] - [ -0.0003031100000000, 0.0004851400000000, -0.0002188500000000 ] - [ 0.0003286600000000, 0.0004987600000000, 0.0002445500000000 ] - [ 0.0001808500000000, 0.0004876000000000, 0.0001326300000000 ] - [ 0.0002260700000000, 0.0004777800000000, 0.0002258500000000 ] - [ -0.0001869200000000, 0.0005587500000000, -0.0001029200000000 ] - [ 0.0003007600000000, -0.0004920400000000, 0.0001890600000000 ] - [ 0.0001785900000000, -0.0004774100000000, 0.0001419400000000 ] - [ 0.0002190500000000, -0.0004813400000000, 0.0001647400000000 ] - [ 0.0002817400000000, -0.0004706400000000, 0.0001964000000000 ] - [ 0.0006541700000000, 0.0002710800000000, 0.0002811600000000 ] - [ 0.0002770500000000, -0.0000008700000000, -0.0000578900000000 ] - [ 0.0003289800000000, 0.0000785500000000, -0.0000234200000000 ] - [ 0.0004665200000000, -0.0000524000000000, -0.0001559600000000 ] - [ 0.0003179300000000, -0.0000593300000000, -0.0000102300000000 ] - [ 0.0003908200000000, -0.0000644000000000, -0.0000163300000000 ] - [ 0.0003686300000000, -0.0000781800000000, -0.0000419800000000 ] - [ 0.0003608700000000, -0.0000708800000000, -0.0000516100000000 ] - [ -0.0004727200000000, 0.0000868400000000, 0.0002840400000000 ] - [ -0.0002921800000000, -0.0002754200000000, -0.0001710900000000 ] - [ -0.0003494300000000, -0.0000659900000000, 0.0000719500000000 ] - [ -0.0004000900000000, -0.0001324100000000, 0.0000309200000000 ] - [ -0.0003786400000000, 0.0000798100000000, 0.0000570100000000 ] - [ -0.0003548600000000, 0.0000927700000000, 0.0000322500000000 ] - [ -0.0003468900000000, 0.0001191800000000, 0.0000224000000000 ] - [ -0.0003885100000000, 0.0000880600000000, 0.0000651500000000 ] - [ 0.0013724700000000, 0.0004412700000000, -0.0004056900000000 ] - [ 0.0011011000000000, -0.0001188100000000, 0.0002217800000000 ] - [ -0.0000049700000000, 0.0000668100000000, -0.0000047200000000 ] - [ -0.0000215900000000, 0.0000740600000000, -0.0000030600000000 ] - [ 0.0000564600000000, -0.0000407700000000, -0.0000415900000000 ] - [ -0.0001210600000000, -0.0000737600000000, 0.0001133800000000 ] - [ -0.0000595700000000, -0.0002009900000000, -0.0001081700000000 ] - [ 0.0000701900000000, -0.0000704100000000, -0.0000092600000000 ] - [ -0.0000515400000000, -0.0001221200000000, -0.0000192600000000 ] - [ 0.0000709300000000, -0.0000227800000000, 0.0000233800000000 ] - [ 0.0001486700000000, 0.0000005300000000, -0.0000957500000000 ] - [ 0.0001044600000000, -0.0005805000000000, 0.0007849200000000 ] - [ -0.0000420400000000, -0.0001233700000000, 0.0000128800000000 ] - [ 0.0000869100000000, 0.0000220400000000, -0.0000099200000000 ] - [ 0.0000460700000000, 0.0000357300000000, 0.0000024100000000 ] - [ 0.0000002500000000, 0.0000225200000000, -0.0000191200000000 ] - [ 0.0000042300000000, 0.0003960400000000, -0.0001112400000000 ] - [ -0.0001616800000000, 0.0004387100000000, 0.0002844700000000 ] - [ -0.0004443100000000, -0.0002794500000000, 0.0003389800000000 ] - [ -0.0001056400000000, 0.0005427000000000, 0.0001015000000000 ] - [ -0.0004670400000000, -0.0005079100000000, 0.0002556600000000 ] - [ 0.0000383900000000, -0.0004543900000000, 0.0000751900000000 ] - [ -0.0000574300000000, -0.0003966200000000, 0.0000378200000000 ] - [ -0.0001490900000000, -0.0003877800000000, 0.0000361200000000 ] - [ -0.0036808500000000, -0.0008594100000000, -0.0005409100000000 ] - [ 0.0003582100000000, -0.0003980600000000, -0.0000716300000000 ] - [ 0.0001590100000000, -0.0003857400000000, -0.0000698200000000 ] - [ 0.0000119300000000, -0.0003840100000000, 0.0000237800000000 ] - [ 0.0000868600000000, 0.0003878800000000, -0.0000482900000000 ] - [ 0.0000909900000000, 0.0003617200000000, -0.0000258600000000 ] - [ 0.0001074800000000, 0.0004381600000000, -0.0001138600000000 ] - [ 0.0001238800000000, 0.0002907200000000, -0.0000087800000000 ] - [ -0.0287759400000000, 0.0201208800000000, 0.0278329800000000 ] - [ 0.0007040800000000, 0.0006606700000000, -0.0003298600000000 ] - [ 0.0004442700000000, 0.0006647700000000, -0.0004428900000000 ] - [ 0.0002365200000000, 0.0006780600000000, -0.0003394700000000 ] - [ 0.0002983900000000, -0.0005302000000000, -0.0003696100000000 ] - [ 0.0004554200000000, -0.0007523000000000, -0.0002724900000000 ] - [ 0.0003687200000000, -0.0006801700000000, -0.0004578000000000 ] - [ 0.0003569500000000, -0.0006743400000000, -0.0003569700000000 ] - [ -0.0003045600000000, -0.0006947600000000, 0.0003453100000000 ] - [ -0.0004175700000000, -0.0006042700000000, 0.0004488400000000 ] - [ -0.0005513800000000, -0.0000759500000000, 0.0001605500000000 ] - [ -0.0001230100000000, -0.0007434000000000, 0.0004460400000000 ] - [ -0.0004586500000000, 0.0006584300000000, 0.0004061900000000 ] - [ -0.0002931500000000, 0.0006585900000000, 0.0004526800000000 ] - [ -0.0003007500000000, 0.0006547200000000, 0.0003599600000000 ] - [ -0.0004319800000000, 0.0005806400000000, 0.0004093100000000 ] - [ -0.0004047200000000, 0.0006291500000000, -0.0012353900000000 ] - [ 0.0005120000000000, 0.0003657200000000, -0.0001434400000000 ] - [ 0.0000920300000000, 0.0004448500000000, -0.0005321600000000 ] - [ -0.0000976500000000, 0.0005609700000000, -0.0004299400000000 ] - [ 0.0000461000000000, -0.0004171200000000, -0.0004884200000000 ] - [ 0.0000141200000000, -0.0004584300000000, -0.0004755500000000 ] - [ -0.0001113000000000, -0.0002607400000000, -0.0006190800000000 ] - [ 0.0000319700000000, -0.0004064900000000, -0.0003802700000000 ] - [ 0.0000192100000000, -0.0006126400000000, 0.0002624100000000 ] - [ -0.0001561000000000, -0.0003311500000000, 0.0005802100000000 ] - [ -0.0000292600000000, -0.0004464600000000, 0.0003995600000000 ] - [ 0.0003077000000000, -0.0004813000000000, 0.0007121900000000 ] - [ -0.0001709700000000, 0.0003788400000000, 0.0004659500000000 ] - [ 0.0000973800000000, 0.0004402100000000, 0.0004650300000000 ] - [ 0.0000210200000000, 0.0004410200000000, 0.0004722400000000 ] - [ -0.0000500400000000, 0.0004097000000000, 0.0004577900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027515000000000, 0.0046154300000000, -0.0044990400000000 ] - [ 0.0000645900000000, 0.0002412300000000, -0.0003838000000000 ] - [ 0.0000033000000000, 0.0001268600000000, 0.0000594700000000 ] - [ 0.0000444500000000, 0.0004651400000000, 0.0006846400000000 ] - [ -0.0000120600000000, -0.0003230000000000, -0.0002597900000000 ] - [ 0.0000111200000000, -0.0001373900000000, -0.0000890400000000 ] - [ -0.0009361400000000, 0.0001266200000000, -0.0002271700000000 ] - [ 0.0036443000000000, 0.0013820600000000, 0.0021747500000000 ] - [ -0.0001179900000000, -0.0000339200000000, 0.0001908400000000 ] - [ 0.0009467500000000, 0.0020373600000000, 0.0029425000000000 ] - [ 0.0000457300000000, 0.0002740600000000, -0.0005290400000000 ] - [ -0.0000805300000000, -0.0000740900000000, 0.0001311600000000 ] - [ -0.0030881600000000, 0.0011378800000000, -0.0012125800000000 ] - [ 0.0011392300000000, 0.0000959100000000, -0.0002445700000000 ] - [ 0.0000800600000000, 0.0000036200000000, 0.0004907200000000 ] - [ -0.0001165500000000, 0.0001697100000000, 0.0005697100000000 ] - [ 0.0364599400000000, -0.2885955200000000, -0.1308851800000000 ] - [ -0.0003626000000000, -0.0001020500000000, 0.0001712200000000 ] - [ -0.0003608400000000, 0.0000098900000000, 0.0002750200000000 ] - [ -0.0003094400000000, -0.0000237300000000, 0.0003442900000000 ] - [ -0.0003621200000000, 0.0001457300000000, 0.0001726000000000 ] - [ -0.0003076300000000, 0.0002013100000000, 0.0001428900000000 ] - [ -0.0003736600000000, 0.0001448500000000, 0.0001896600000000 ] - [ -0.0002973000000000, 0.0002011700000000, 0.0001560900000000 ] - [ 0.0003016800000000, -0.0000952500000000, -0.0002321400000000 ] - [ 0.0004371800000000, -0.0001980000000000, -0.0001771100000000 ] - [ 0.0004252700000000, -0.0016971600000000, -0.0010204400000000 ] - [ 0.0003715900000000, -0.0002065200000000, -0.0003219400000000 ] - [ 0.0004335000000000, 0.0007545100000000, -0.0007877900000000 ] - [ 0.0003721700000000, 0.0001858400000000, -0.0003330500000000 ] - [ 0.0003497600000000, 0.0000495500000000, -0.0002244500000000 ] - [ 0.0003745000000000, 0.0001051800000000, -0.0001962600000000 ] - [ 0.0000265900000000, -0.0004243900000000, -0.0002192900000000 ] - [ 0.0000044900000000, -0.0004449100000000, -0.0001412000000000 ] - [ -0.0000550600000000, -0.0058256000000000, -0.0015891500000000 ] - [ 0.0000671000000000, -0.0004317500000000, -0.0002774500000000 ] - [ 0.0002187000000000, 0.0004573100000000, -0.0005401000000000 ] - [ 0.0000196700000000, 0.0004708600000000, -0.0002586300000000 ] - [ -0.0000409300000000, 0.0004275400000000, -0.0001283000000000 ] - [ -0.0000301000000000, 0.0004242600000000, -0.0001055700000000 ] - [ 0.0031616100000000, 0.0019754500000000, -0.0033686400000000 ] - [ -0.0000717800000000, 0.0003836100000000, 0.0002622800000000 ] - [ -0.0000851500000000, 0.0004060000000000, 0.0003594300000000 ] - [ -0.0001157800000000, 0.0003963500000000, 0.0004804700000000 ] - [ -0.0002840100000000, -0.0004764400000000, 0.0006143000000000 ] - [ 0.0000373200000000, -0.0003758600000000, 0.0002329500000000 ] - [ -0.0000310900000000, -0.0004324400000000, 0.0002473000000000 ] - [ -0.0000073400000000, -0.0003898900000000, 0.0002477900000000 ] - [ 0.0006409700000000, -0.0009105000000000, -0.0010244100000000 ] - [ -0.0004663100000000, -0.0003730600000000, -0.0003982700000000 ] - [ -0.0002882700000000, -0.0004794900000000, -0.0000928000000000 ] - [ -0.0000327800000000, -0.0005287600000000, 0.0000096800000000 ] - [ -0.0002455900000000, 0.0004889000000000, -0.0001635100000000 ] - [ -0.0002243400000000, 0.0004697400000000, -0.0001474100000000 ] - [ -0.0003324500000000, 0.0010459700000000, 0.0000487000000000 ] - [ -0.0001644100000000, 0.0005068300000000, -0.0001150500000000 ] - [ -0.0000851100000000, 0.0004885700000000, 0.0002821400000000 ] - [ 0.0005464100000000, 0.0003857700000000, 0.0004974600000000 ] - [ 0.0001883000000000, 0.0003958200000000, 0.0000949200000000 ] - [ 0.0000958900000000, 0.0005742500000000, 0.0001027700000000 ] - [ 0.0003901800000000, 0.0001602200000000, -0.0000657300000000 ] - [ 0.0001807500000000, -0.0004875500000000, 0.0001243900000000 ] - [ 0.0002562300000000, -0.0004724400000000, 0.0002160900000000 ] - [ 0.0003861400000000, -0.0004519900000000, 0.0003436000000000 ] - [ -0.0002246500000000, -0.0020702300000000, 0.0005556000000000 ] - [ 0.0003467800000000, 0.0000000300000000, -0.0000938100000000 ] - [ 0.0003422800000000, 0.0000064200000000, -0.0000181700000000 ] - [ 0.0005270000000000, -0.0002149700000000, 0.0000780600000000 ] - [ 0.0003317800000000, 0.0002483300000000, -0.0002760100000000 ] - [ 0.0003938400000000, 0.0000827500000000, -0.0000731400000000 ] - [ 0.0003501600000000, -0.0000073100000000, 0.0000129700000000 ] - [ 0.0003382000000000, 0.0000042300000000, 0.0000093800000000 ] - [ -0.0004533500000000, -0.0003332900000000, -0.0000758600000000 ] - [ 0.0004375100000000, -0.0006399400000000, 0.0002529600000000 ] - [ -0.0005098500000000, -0.0006005700000000, 0.0003755700000000 ] - [ -0.0004127200000000, -0.0001614800000000, 0.0000814800000000 ] - [ -0.0003448600000000, 0.0001228500000000, 0.0000860900000000 ] - [ -0.0004022800000000, 0.0002415900000000, 0.0000666900000000 ] - [ -0.0005083800000000, 0.0004735300000000, 0.0000369800000000 ] - [ -0.0003730300000000, 0.0001450100000000, 0.0000265400000000 ] - [ -0.0005032000000000, 0.0008703800000000, 0.0004568500000000 ] - [ 0.0005891300000000, 0.0007301800000000, 0.0004276200000000 ] - [ 0.0000921300000000, 0.0001185800000000, -0.0003272100000000 ] - [ -0.0000555700000000, 0.0001867000000000, -0.0001740400000000 ] - [ -0.0000056700000000, -0.0001290600000000, 0.0000165000000000 ] - [ -0.0001193400000000, -0.0005790700000000, 0.0002863500000000 ] - [ 0.0000010800000000, -0.0007387700000000, -0.0002533100000000 ] - [ -0.0000001800000000, -0.0001710100000000, -0.0000535200000000 ] - [ 0.0004969200000000, 0.0002712900000000, -0.0007419800000000 ] - [ -0.0001553600000000, 0.0000759300000000, -0.0001811900000000 ] - [ 0.0000687300000000, 0.0001627800000000, 0.0001061400000000 ] - [ 0.0001237500000000, 0.0007697900000000, 0.0005551000000000 ] - [ -0.0003171600000000, -0.0010815400000000, 0.0002002700000000 ] - [ 0.0001987400000000, -0.0002269500000000, 0.0000044800000000 ] - [ 0.0000498700000000, -0.0000244300000000, -0.0000782700000000 ] - [ -0.0000248700000000, -0.0000908800000000, -0.0001189000000000 ] - [ -0.0000558900000000, 0.0005032900000000, 0.0000937400000000 ] - [ -0.0002077700000000, 0.0008952000000000, 0.0000459500000000 ] - [ 0.0019580300000000, 0.0015164100000000, -0.0026821100000000 ] - [ -0.0003351300000000, 0.0006314400000000, -0.0000485000000000 ] - [ -0.0003145300000000, -0.0013075400000000, 0.0004333900000000 ] - [ -0.0000391100000000, -0.0005623000000000, 0.0001705100000000 ] - [ -0.0000703200000000, -0.0004398000000000, -0.0000589600000000 ] - [ -0.0001321400000000, -0.0004887700000000, -0.0001144000000000 ] - [ -0.0009203200000000, -0.0057416100000000, -0.0060990200000000 ] - [ 0.0000984400000000, -0.0002254600000000, 0.0000077100000000 ] - [ 0.0001301600000000, -0.0003408600000000, -0.0001436300000000 ] - [ 0.0000332400000000, -0.0002536000000000, -0.0002643400000000 ] - [ 0.0002654800000000, 0.0002346900000000, -0.0002399400000000 ] - [ -0.0002353100000000, 0.0001529800000000, -0.0001776000000000 ] - [ 0.0000798600000000, 0.0001219000000000, 0.0000574500000000 ] - [ 0.0001416100000000, 0.0001118000000000, 0.0001553500000000 ] - [ -0.0385273600000000, 0.2915460600000000, 0.1417765100000000 ] - [ 0.0003885800000000, 0.0007387200000000, -0.0002757800000000 ] - [ 0.0003604700000000, 0.0006813000000000, -0.0004689600000000 ] - [ 0.0003011400000000, 0.0007660800000000, -0.0006117700000000 ] - [ 0.0002290900000000, -0.0007779700000000, -0.0001300500000000 ] - [ 0.0006545000000000, -0.0009118500000000, -0.0000921800000000 ] - [ 0.0004679900000000, -0.0008770200000000, -0.0005071900000000 ] - [ 0.0001779600000000, -0.0009929800000000, -0.0007611800000000 ] - [ -0.0002621700000000, -0.0006102700000000, 0.0002793400000000 ] - [ -0.0005276100000000, -0.0004351300000000, -0.0000353700000000 ] - [ -0.0022002100000000, -0.0002407600000000, 0.0030601900000000 ] - [ -0.0001309300000000, -0.0004191300000000, 0.0006053200000000 ] - [ 0.0002127300000000, -0.0005034300000000, 0.0003308300000000 ] - [ -0.0004681300000000, 0.0005114200000000, 0.0004537500000000 ] - [ -0.0003556500000000, 0.0006439800000000, 0.0003575400000000 ] - [ -0.0003917700000000, 0.0005337300000000, 0.0003286600000000 ] - [ -0.0004417900000000, 0.0019299300000000, 0.0011111700000000 ] - [ 0.0001990600000000, 0.0004403700000000, -0.0002641800000000 ] - [ 0.0001199000000000, 0.0004745300000000, -0.0005991600000000 ] - [ -0.0002022800000000, 0.0006472900000000, -0.0009318600000000 ] - [ 0.0000364300000000, -0.0004984700000000, -0.0005462500000000 ] - [ 0.0000487400000000, -0.0004987800000000, -0.0006187400000000 ] - [ 0.0005046700000000, -0.0012635700000000, -0.0004471600000000 ] - [ -0.0003056400000000, -0.0006943800000000, -0.0003159300000000 ] - [ 0.0004777600000000, -0.0002820900000000, 0.0004072300000000 ] - [ -0.0011653100000000, -0.0002354800000000, 0.0000796700000000 ] - [ 0.0000886200000000, 0.0000185000000000, 0.0004052600000000 ] - [ 0.0001506700000000, -0.0004253800000000, 0.0004989300000000 ] - [ 0.0001418600000000, -0.0004714600000000, 0.0010210900000000 ] - [ -0.0000235700000000, 0.0003676600000000, 0.0005772200000000 ] - [ -0.0000352900000000, 0.0004065700000000, 0.0003955800000000 ] - [ 0.0001153000000000, 0.0002437300000000, 0.0000107200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027048000000000, -0.0044225100000000, 0.0041231500000000 ] - [ -0.0001020100000000, -0.0000561900000000, 0.0000683900000000 ] - [ -0.0000414500000000, 0.0000559700000000, -0.0003614500000000 ] - [ -0.0000848700000000, -0.0002780400000000, -0.0009723500000000 ] - [ -0.0000316300000000, 0.0001339600000000, -0.0000425300000000 ] - [ -0.0000478000000000, -0.0000457100000000, -0.0002164400000000 ] - [ 0.0008784700000000, -0.0003061800000000, -0.0000834200000000 ] - [ -0.0035851500000000, -0.0015293500000000, -0.0024339300000000 ] - [ 0.0001549400000000, -0.0001465200000000, 0.0001178800000000 ] - [ -0.0008847800000000, -0.0021690100000000, -0.0025717300000000 ] - [ -0.0000093700000000, -0.0004520400000000, 0.0008290600000000 ] - [ 0.0001203100000000, -0.0001082400000000, 0.0001777300000000 ] - [ 0.0030664100000000, -0.0009420800000000, 0.0014822700000000 ] - [ -0.0010787900000000, 0.0000858300000000, 0.0005403100000000 ] - [ -0.0000385100000000, 0.0001772700000000, -0.0001732900000000 ] - [ 0.0001525200000000, 0.0000141900000000, -0.0002474600000000 ] - [ -0.0404952400000000, 0.3074471800000000, 0.1444723800000000 ] - [ -0.0003390400000000, 0.0001507600000000, 0.0003101900000000 ] - [ -0.0003409900000000, 0.0000422800000000, 0.0002095300000000 ] - [ -0.0003917600000000, 0.0000768400000000, 0.0001431700000000 ] - [ -0.0003399000000000, -0.0001935400000000, 0.0003091600000000 ] - [ -0.0003932400000000, -0.0002490700000000, 0.0003388800000000 ] - [ -0.0003291600000000, -0.0001944100000000, 0.0002938700000000 ] - [ -0.0004030700000000, -0.0002493200000000, 0.0003264200000000 ] - [ 0.0003988100000000, 0.0000424400000000, -0.0002506300000000 ] - [ 0.0002664200000000, 0.0001459000000000, -0.0003030600000000 ] - [ 0.0002666400000000, 0.0016116900000000, 0.0005324400000000 ] - [ 0.0003316900000000, 0.0001503800000000, -0.0001640400000000 ] - [ 0.0002698000000000, -0.0006847900000000, 0.0002907600000000 ] - [ 0.0003302600000000, -0.0001301900000000, -0.0001526700000000 ] - [ 0.0003519000000000, 0.0000013700000000, -0.0002577200000000 ] - [ 0.0003277100000000, -0.0000537200000000, -0.0002841700000000 ] - [ 0.0000515500000000, -0.0004114300000000, -0.0002984200000000 ] - [ 0.0000731000000000, -0.0003914400000000, -0.0003741400000000 ] - [ -0.0000629400000000, 0.0051352400000000, 0.0014035300000000 ] - [ 0.0000124600000000, -0.0004042500000000, -0.0002428900000000 ] - [ -0.0001367000000000, 0.0003774900000000, 0.0000132300000000 ] - [ 0.0000597300000000, 0.0003659400000000, -0.0002618100000000 ] - [ 0.0001180600000000, 0.0004084300000000, -0.0003880100000000 ] - [ 0.0001071800000000, 0.0004117900000000, -0.0004092000000000 ] - [ -0.0031646600000000, -0.0011253200000000, 0.0037886400000000 ] - [ -0.0000070800000000, 0.0004516700000000, 0.0002559100000000 ] - [ 0.0000057000000000, 0.0004296300000000, 0.0001621500000000 ] - [ 0.0000357100000000, 0.0004394400000000, 0.0000440900000000 ] - [ 0.0001993400000000, -0.0003605000000000, -0.0000871500000000 ] - [ -0.0001138300000000, -0.0004589700000000, 0.0002851500000000 ] - [ -0.0000468300000000, -0.0004038200000000, 0.0002714100000000 ] - [ -0.0000692600000000, -0.0004461700000000, 0.0002706500000000 ] - [ -0.0011324700000000, -0.0000513700000000, 0.0006569900000000 ] - [ -0.0000236000000000, -0.0005861900000000, 0.0000426200000000 ] - [ -0.0001977000000000, -0.0004818000000000, -0.0002562000000000 ] - [ -0.0004479100000000, -0.0004332800000000, -0.0003557300000000 ] - [ -0.0002404000000000, 0.0004726000000000, -0.0001873100000000 ] - [ -0.0002601400000000, 0.0004913900000000, -0.0002019200000000 ] - [ -0.0001624000000000, -0.0000678300000000, -0.0003904800000000 ] - [ -0.0003194600000000, 0.0004550500000000, -0.0002348900000000 ] - [ 0.0005624500000000, 0.0004733300000000, 0.0000703200000000 ] - [ -0.0000531400000000, 0.0005735400000000, -0.0001386700000000 ] - [ 0.0002968000000000, 0.0005640400000000, 0.0002554800000000 ] - [ 0.0003956600000000, 0.0003871700000000, 0.0002534700000000 ] - [ 0.0000972800000000, -0.0011084000000000, 0.0004098800000000 ] - [ 0.0003039200000000, -0.0004737900000000, 0.0002254100000000 ] - [ 0.0002305400000000, -0.0004883900000000, 0.0001365300000000 ] - [ 0.0001040000000000, -0.0005083100000000, 0.0000125300000000 ] - [ 0.0009423400000000, 0.0021912300000000, -0.0006366800000000 ] - [ 0.0003817000000000, 0.0001520600000000, -0.0000017500000000 ] - [ 0.0003862800000000, 0.0001453900000000, -0.0000753500000000 ] - [ 0.0002032400000000, 0.0003640000000000, -0.0001673500000000 ] - [ 0.0003979700000000, -0.0003935700000000, 0.0001747900000000 ] - [ 0.0003355800000000, -0.0002329400000000, -0.0000223600000000 ] - [ 0.0003780500000000, -0.0001444600000000, -0.0001055900000000 ] - [ 0.0003898800000000, -0.0001560100000000, -0.0001019100000000 ] - [ -0.0002772700000000, 0.0001745300000000, 0.0001672300000000 ] - [ -0.0011486000000000, 0.0004749900000000, -0.0001552800000000 ] - [ -0.0002216600000000, 0.0004391100000000, -0.0002751800000000 ] - [ -0.0003164900000000, 0.0000073800000000, 0.0000144100000000 ] - [ -0.0003831800000000, 0.0000315500000000, 0.0000093100000000 ] - [ -0.0003277500000000, -0.0000844900000000, 0.0000290400000000 ] - [ -0.0002225400000000, -0.0003114100000000, 0.0000558500000000 ] - [ -0.0003557100000000, 0.0000094200000000, 0.0000670300000000 ] - [ 0.0004598600000000, -0.0007590000000000, -0.0004381400000000 ] - [ -0.0006196300000000, -0.0006188500000000, -0.0004147000000000 ] - [ -0.0001270400000000, -0.0000157300000000, 0.0003232100000000 ] - [ 0.0000184700000000, -0.0000830000000000, 0.0001707200000000 ] - [ -0.0000309900000000, 0.0000263500000000, -0.0000131100000000 ] - [ 0.0000817200000000, 0.0004684800000000, -0.0002812900000000 ] - [ -0.0000362800000000, 0.0006189500000000, 0.0002454800000000 ] - [ -0.0000363500000000, 0.0000674400000000, 0.0000551800000000 ] - [ -0.0004479600000000, -0.0003675000000000, 0.0007193400000000 ] - [ 0.0001876700000000, -0.0001748100000000, 0.0001743000000000 ] - [ -0.0000314700000000, -0.0002601500000000, -0.0001065500000000 ] - [ -0.0000914100000000, -0.0008467100000000, -0.0005550000000000 ] - [ 0.0003459000000000, 0.0011625600000000, -0.0001954800000000 ] - [ -0.0001588700000000, 0.0003230600000000, -0.0000062400000000 ] - [ -0.0000130200000000, 0.0001245500000000, 0.0000727500000000 ] - [ 0.0000608600000000, 0.0001896200000000, 0.0001116000000000 ] - [ -0.0001404800000000, 0.0002781300000000, 0.0000151800000000 ] - [ 0.0000050200000000, -0.0001075400000000, 0.0000579400000000 ] - [ -0.0021357500000000, -0.0007272600000000, 0.0027651000000000 ] - [ 0.0001291000000000, 0.0001528200000000, 0.0001537800000000 ] - [ 0.0001101500000000, 0.0005082600000000, -0.0003070300000000 ] - [ -0.0001585900000000, -0.0002201400000000, -0.0000590400000000 ] - [ -0.0001276900000000, -0.0003396800000000, 0.0001635800000000 ] - [ -0.0000666400000000, -0.0002912400000000, 0.0002159400000000 ] - [ 0.0010970400000000, 0.0047138600000000, 0.0057230000000000 ] - [ 0.0000994200000000, -0.0005504300000000, -0.0001135000000000 ] - [ 0.0000681400000000, -0.0004372700000000, 0.0000328600000000 ] - [ 0.0001642600000000, -0.0005233600000000, 0.0001495800000000 ] - [ -0.0000630600000000, 0.0005412600000000, 0.0001275200000000 ] - [ 0.0004253300000000, 0.0006215000000000, 0.0000663400000000 ] - [ 0.0001190600000000, 0.0006520900000000, -0.0001628000000000 ] - [ 0.0000563400000000, 0.0006628000000000, -0.0002581000000000 ] - [ 0.0426769600000000, -0.3090234800000000, -0.1556665900000000 ] - [ 0.0003123600000000, 0.0005766000000000, -0.0004930300000000 ] - [ 0.0003397300000000, 0.0006312000000000, -0.0003056900000000 ] - [ 0.0003966200000000, 0.0005440700000000, -0.0001668000000000 ] - [ 0.0004704300000000, -0.0005372000000000, -0.0006351100000000 ] - [ 0.0000483900000000, -0.0004057900000000, -0.0006759200000000 ] - [ 0.0002337200000000, -0.0004353900000000, -0.0002671600000000 ] - [ 0.0005167000000000, -0.0003233100000000, -0.0000197900000000 ] - [ -0.0004364100000000, -0.0007017400000000, 0.0004897300000000 ] - [ -0.0001777200000000, -0.0008763200000000, 0.0007963900000000 ] - [ 0.0014673700000000, -0.0010490200000000, -0.0022277400000000 ] - [ -0.0005652900000000, -0.0008856100000000, 0.0001722000000000 ] - [ -0.0008980200000000, 0.0017865800000000, 0.0004416200000000 ] - [ -0.0002345900000000, 0.0007968900000000, 0.0003202000000000 ] - [ -0.0003460400000000, 0.0006708500000000, 0.0004132500000000 ] - [ -0.0003116100000000, 0.0007802400000000, 0.0004401500000000 ] - [ 0.0004909000000000, -0.0010239400000000, -0.0020669000000000 ] - [ -0.0001588600000000, 0.0004402700000000, -0.0006870100000000 ] - [ -0.0000817700000000, 0.0004074700000000, -0.0003599600000000 ] - [ 0.0002361000000000, 0.0002366100000000, -0.0000366700000000 ] - [ 0.0000018300000000, -0.0003832000000000, -0.0004119000000000 ] - [ -0.0000117900000000, -0.0003831100000000, -0.0003418800000000 ] - [ -0.0004503700000000, 0.0003617100000000, -0.0005029500000000 ] - [ 0.0003351800000000, -0.0001911500000000, -0.0006352500000000 ] - [ -0.0005039900000000, -0.0005947500000000, 0.0005487200000000 ] - [ 0.0011018300000000, -0.0006410500000000, 0.0008682200000000 ] - [ -0.0001234100000000, -0.0008917000000000, 0.0005479700000000 ] - [ -0.0001909600000000, -0.0004535900000000, 0.0004513100000000 ] - [ -0.0001749600000000, 0.0013341000000000, -0.0000512300000000 ] - [ -0.0000138000000000, 0.0005117600000000, 0.0003811000000000 ] - [ -0.0000028400000000, 0.0004731100000000, 0.0005576700000000 ] - [ -0.0001495300000000, 0.0006324400000000, 0.0009325100000000 ]- atom: 17 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ 0.0003409900000000, 0.0003112700000000, -0.0030580200000000 ] - [ -0.0004331400000000, -0.0002059900000000, -0.0002032200000000 ] - [ -0.0000284100000000, 0.0000917800000000, 0.0000434000000000 ] - [ 0.0000260800000000, 0.0002529300000000, 0.0004718000000000 ] - [ -0.0002218300000000, -0.0004303200000000, 0.0005898300000000 ] - [ 0.0000082200000000, -0.0001316900000000, -0.0000989400000000 ] - [ -0.0006728900000000, 0.0001054000000000, -0.0000995000000000 ] - [ 0.0026107000000000, -0.0001415900000000, -0.0000486100000000 ] - [ -0.0001500600000000, -0.0000143600000000, 0.0001868900000000 ] - [ 0.0004301700000000, 0.0009087300000000, 0.0016291000000000 ] - [ 0.0000954500000000, -0.0003173200000000, 0.0003138800000000 ] - [ -0.0000375500000000, -0.0001081700000000, 0.0001362900000000 ] - [ -0.0013386200000000, 0.0011466200000000, -0.0009794700000000 ] - [ 0.0001344400000000, -0.0002056200000000, -0.0004210800000000 ] - [ 0.0000203000000000, 0.0000662700000000, 0.0004237200000000 ] - [ -0.0000303600000000, 0.0001494800000000, 0.0005997100000000 ] - [ 0.0522589300000000, -0.1245147600000000, -0.1038368800000000 ] - [ -0.0004771400000000, -0.0000167800000000, 0.0001878500000000 ] - [ -0.0003617600000000, 0.0000566800000000, 0.0002889700000000 ] - [ -0.0003303700000000, 0.0000714800000000, 0.0003653100000000 ] - [ -0.0003639500000000, -0.0000029900000000, 0.0002561900000000 ] - [ -0.0003257800000000, 0.0000730600000000, 0.0001951100000000 ] - [ -0.0003689600000000, 0.0000160300000000, 0.0002526100000000 ] - [ -0.0003104300000000, 0.0000749800000000, 0.0002098800000000 ] - [ 0.0003149200000000, 0.0000143100000000, -0.0001723100000000 ] - [ 0.0003954000000000, -0.0000382100000000, -0.0001631000000000 ] - [ -0.0005630200000000, -0.0006456700000000, 0.0005741500000000 ] - [ 0.0003513700000000, -0.0000979000000000, -0.0004138900000000 ] - [ 0.0003479300000000, 0.0004762700000000, -0.0005602800000000 ] - [ 0.0003564200000000, 0.0001067300000000, -0.0003054400000000 ] - [ 0.0003418800000000, 0.0000125600000000, -0.0002106700000000 ] - [ 0.0003660800000000, 0.0000096000000000, -0.0001553000000000 ] - [ -0.0000475100000000, -0.0004346600000000, -0.0001191900000000 ] - [ 0.0000250300000000, -0.0004336400000000, -0.0001305200000000 ] - [ -0.0052824000000000, 0.0333485000000000, 0.0175535300000000 ] - [ 0.0000082000000000, -0.0004229500000000, -0.0004063500000000 ] - [ 0.0001942000000000, 0.0002296600000000, -0.0005834000000000 ] - [ 0.0000485500000000, 0.0004600900000000, -0.0002911900000000 ] - [ -0.0000387300000000, 0.0004224400000000, -0.0001386200000000 ] - [ -0.0000016200000000, 0.0004235000000000, -0.0001358400000000 ] - [ 0.0011073600000000, -0.0012763400000000, -0.0024278100000000 ] - [ -0.0001261300000000, 0.0004487400000000, 0.0002178200000000 ] - [ -0.0000958800000000, 0.0004092000000000, 0.0003659900000000 ] - [ -0.0001079100000000, 0.0004015100000000, 0.0004497300000000 ] - [ -0.0001378300000000, -0.0004484700000000, 0.0004069700000000 ] - [ 0.0000044400000000, -0.0003992000000000, 0.0002361300000000 ] - [ -0.0000784800000000, -0.0004199600000000, 0.0003164400000000 ] - [ 0.0000097700000000, -0.0004314700000000, 0.0002497000000000 ] - [ -0.0017585000000000, -0.0010266100000000, 0.0004547500000000 ] - [ -0.0006291100000000, -0.0003500400000000, -0.0005411600000000 ] - [ -0.0002540600000000, -0.0004875500000000, -0.0001112700000000 ] - [ -0.0000642700000000, -0.0005115300000000, 0.0000006600000000 ] - [ -0.0002641400000000, 0.0004725300000000, -0.0001675100000000 ] - [ -0.0001741900000000, 0.0004789300000000, -0.0001067700000000 ] - [ -0.0004408200000000, 0.0007929000000000, 0.0000601600000000 ] - [ -0.0002453100000000, 0.0004948700000000, -0.0001905600000000 ] - [ 0.0001143500000000, 0.0005233400000000, 0.0002663400000000 ] - [ 0.0003725200000000, 0.0004487400000000, 0.0003106000000000 ] - [ 0.0001692700000000, 0.0004597600000000, 0.0001882600000000 ] - [ 0.0005505900000000, 0.0004248000000000, 0.0004476300000000 ] - [ 0.0003066100000000, -0.0001270800000000, -0.0000889300000000 ] - [ 0.0001630800000000, -0.0004846500000000, 0.0001053300000000 ] - [ 0.0002556300000000, -0.0004731900000000, 0.0002155600000000 ] - [ 0.0003609500000000, -0.0004640800000000, 0.0003108400000000 ] - [ 0.0000331600000000, -0.0000915200000000, 0.0015821600000000 ] - [ 0.0003034300000000, 0.0000151200000000, -0.0000773300000000 ] - [ 0.0003432000000000, 0.0000501400000000, -0.0000073000000000 ] - [ 0.0004217300000000, -0.0000184700000000, 0.0001426400000000 ] - [ 0.0003689500000000, 0.0001103600000000, -0.0002259000000000 ] - [ 0.0004142300000000, -0.0000188600000000, -0.0000761500000000 ] - [ 0.0003583300000000, -0.0000589700000000, 0.0000119500000000 ] - [ 0.0003515700000000, -0.0000548500000000, 0.0000059900000000 ] - [ -0.0005122300000000, -0.0000471600000000, 0.0001809300000000 ] - [ 0.0001039400000000, -0.0003793300000000, 0.0000259900000000 ] - [ -0.0004347300000000, -0.0002107800000000, 0.0002043200000000 ] - [ -0.0003606200000000, -0.0000437000000000, 0.0000893000000000 ] - [ -0.0003652700000000, 0.0000962000000000, 0.0000881000000000 ] - [ -0.0003878900000000, 0.0001447300000000, 0.0000894000000000 ] - [ -0.0003968700000000, 0.0002691700000000, 0.0000203200000000 ] - [ -0.0003855900000000, 0.0000976100000000, 0.0000260400000000 ] - [ 0.0010996300000000, 0.0005099400000000, 0.0003596200000000 ] - [ 0.0006999800000000, 0.0001623800000000, 0.0005086300000000 ] - [ 0.0000353800000000, 0.0000874000000000, -0.0001976500000000 ] - [ -0.0000415800000000, 0.0000698400000000, -0.0002246800000000 ] - [ 0.0000362300000000, -0.0000563700000000, -0.0000325500000000 ] - [ -0.0001646400000000, -0.0001764800000000, 0.0001022500000000 ] - [ -0.0000224400000000, -0.0004511300000000, -0.0002485100000000 ] - [ 0.0000369700000000, -0.0001009500000000, -0.0000213300000000 ] - [ 0.0002006000000000, -0.0001355200000000, -0.0004467600000000 ] - [ -0.0000468900000000, -0.0000004400000000, -0.0000995800000000 ] - [ 0.0001463400000000, 0.0000464500000000, 0.0000062500000000 ] - [ -0.0006437200000000, 0.0005708900000000, 0.0000432100000000 ] - [ -0.0002317800000000, -0.0005422100000000, 0.0002124500000000 ] - [ 0.0001203000000000, -0.0000646100000000, 0.0000477900000000 ] - [ 0.0000348400000000, 0.0000284300000000, -0.0000830100000000 ] - [ 0.0000146700000000, -0.0000035000000000, -0.0001667900000000 ] - [ 0.0000550300000000, 0.0004241100000000, -0.0000881400000000 ] - [ -0.0003380400000000, 0.0006082000000000, -0.0000451300000000 ] - [ -0.0000261900000000, -0.0004041700000000, -0.0002240900000000 ] - [ -0.0003141200000000, 0.0005367500000000, 0.0000884200000000 ] - [ -0.0005522800000000, -0.0009589700000000, 0.0007629100000000 ] - [ 0.0000100900000000, -0.0004855800000000, 0.0001794800000000 ] - [ -0.0000602800000000, -0.0003997000000000, -0.0000583500000000 ] - [ -0.0001555200000000, -0.0003801700000000, -0.0001598500000000 ] - [ -0.0028367000000000, -0.0047960500000000, -0.0004709400000000 ] - [ 0.0002747300000000, -0.0003643300000000, 0.0000160900000000 ] - [ 0.0001256100000000, -0.0003830000000000, -0.0001619000000000 ] - [ 0.0000648400000000, -0.0003599200000000, -0.0003092900000000 ] - [ 0.0001794100000000, 0.0003431600000000, -0.0001821500000000 ] - [ -0.0000679000000000, 0.0002857100000000, -0.0001265800000000 ] - [ 0.0001726600000000, 0.0003465400000000, -0.0000402600000000 ] - [ 0.0000766400000000, 0.0002911800000000, 0.0001040900000000 ] - [ -0.0447973100000000, 0.0971210900000000, 0.0871394700000000 ] - [ 0.0006083400000000, 0.0007002900000000, -0.0001825300000000 ] - [ 0.0004200100000000, 0.0006602400000000, -0.0005439200000000 ] - [ 0.0002730300000000, 0.0006729300000000, -0.0006571400000000 ] - [ 0.0003003100000000, -0.0004927600000000, -0.0002087300000000 ] - [ 0.0004732400000000, -0.0007893000000000, -0.0002394100000000 ] - [ 0.0004522400000000, -0.0007560600000000, -0.0005258100000000 ] - [ 0.0002554500000000, -0.0008270700000000, -0.0006264400000000 ] - [ -0.0002759600000000, -0.0006879800000000, 0.0002376800000000 ] - [ -0.0004332400000000, -0.0005912300000000, 0.0000847300000000 ] - [ -0.0009047700000000, 0.0002046800000000, 0.0018077000000000 ] - [ -0.0001790000000000, -0.0006258900000000, 0.0006742600000000 ] - [ -0.0000647300000000, 0.0000657700000000, 0.0003914100000000 ] - [ -0.0003698700000000, 0.0006048300000000, 0.0004937400000000 ] - [ -0.0003131400000000, 0.0006603200000000, 0.0003052100000000 ] - [ -0.0004481000000000, 0.0006535400000000, 0.0002505300000000 ] - [ 0.0007930000000000, 0.0015061400000000, -0.0020344400000000 ] - [ 0.0003789200000000, 0.0003946800000000, -0.0001929100000000 ] - [ 0.0000837500000000, 0.0004564600000000, -0.0005904100000000 ] - [ -0.0001405100000000, 0.0004845700000000, -0.0008376800000000 ] - [ 0.0000911500000000, -0.0004210000000000, -0.0005771700000000 ] - [ 0.0000021100000000, -0.0004524900000000, -0.0006322100000000 ] - [ 0.0003889400000000, -0.0008878500000000, -0.0003928900000000 ] - [ -0.0001640000000000, -0.0004947700000000, -0.0002694100000000 ] - [ 0.0002644500000000, -0.0005490700000000, 0.0003290100000000 ] - [ -0.0006730000000000, -0.0003247600000000, 0.0003654300000000 ] - [ 0.0000908100000000, -0.0003325400000000, 0.0003298900000000 ] - [ -0.0002298800000000, -0.0004039800000000, 0.0002204700000000 ] - [ -0.0000147500000000, 0.0000259400000000, 0.0009221800000000 ] - [ 0.0000617600000000, 0.0004222500000000, 0.0005586900000000 ] - [ -0.0000125600000000, 0.0004263800000000, 0.0003949400000000 ] - [ 0.0000173700000000, 0.0003481700000000, 0.0001664200000000 ]- atom: 17 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ -0.0003942700000000, -0.0000899200000000, 0.0026942300000000 ] - [ 0.0003910900000000, 0.0003847000000000, -0.0001061700000000 ] - [ -0.0000097200000000, 0.0000899200000000, -0.0003496000000000 ] - [ -0.0000698400000000, -0.0000742400000000, -0.0007761500000000 ] - [ 0.0001804000000000, 0.0002448100000000, -0.0008905400000000 ] - [ -0.0000482200000000, -0.0000514200000000, -0.0002096800000000 ] - [ 0.0006297200000000, -0.0002912400000000, -0.0002063700000000 ] - [ -0.0025946700000000, -0.0000172500000000, -0.0002397000000000 ] - [ 0.0001892100000000, -0.0001665900000000, 0.0001220800000000 ] - [ -0.0003898600000000, -0.0010819200000000, -0.0013072800000000 ] - [ -0.0000620100000000, 0.0001405400000000, -0.0000096300000000 ] - [ 0.0000790100000000, -0.0000736400000000, 0.0001721300000000 ] - [ 0.0013710300000000, -0.0009602400000000, 0.0012760100000000 ] - [ -0.0000859800000000, 0.0003898600000000, 0.0007291900000000 ] - [ 0.0000197500000000, 0.0001165000000000, -0.0001142200000000 ] - [ 0.0000695000000000, 0.0000330000000000, -0.0002870100000000 ] - [ -0.0517167800000000, 0.1281945400000000, 0.1045197900000000 ] - [ -0.0002252300000000, 0.0000678300000000, 0.0002948800000000 ] - [ -0.0003398500000000, -0.0000044900000000, 0.0001947800000000 ] - [ -0.0003716300000000, -0.0000182800000000, 0.0001196300000000 ] - [ -0.0003377300000000, -0.0000481500000000, 0.0002271400000000 ] - [ -0.0003757300000000, -0.0001232100000000, 0.0002874400000000 ] - [ -0.0003339100000000, -0.0000678500000000, 0.0002318600000000 ] - [ -0.0003907000000000, -0.0001263100000000, 0.0002737100000000 ] - [ 0.0003865700000000, -0.0000656700000000, -0.0003103500000000 ] - [ 0.0003064800000000, -0.0000122900000000, -0.0003193400000000 ] - [ 0.0012748900000000, 0.0005910800000000, -0.0010716500000000 ] - [ 0.0003508800000000, 0.0000444900000000, -0.0000715100000000 ] - [ 0.0003539300000000, -0.0004203200000000, 0.0000747200000000 ] - [ 0.0003455200000000, -0.0000535400000000, -0.0001786800000000 ] - [ 0.0003598300000000, 0.0000379700000000, -0.0002720400000000 ] - [ 0.0003358600000000, 0.0000408400000000, -0.0003262800000000 ] - [ 0.0001254900000000, -0.0004012000000000, -0.0003987400000000 ] - [ 0.0000543600000000, -0.0004020700000000, -0.0003887700000000 ] - [ 0.0055875400000000, -0.0347706200000000, -0.0186733900000000 ] - [ 0.0000704900000000, -0.0004130000000000, -0.0001144800000000 ] - [ -0.0001147100000000, 0.0006046300000000, 0.0000619200000000 ] - [ 0.0000291800000000, 0.0003760400000000, -0.0002272300000000 ] - [ 0.0001174800000000, 0.0004133100000000, -0.0003804600000000 ] - [ 0.0000799300000000, 0.0004122400000000, -0.0003817700000000 ] - [ -0.0011939600000000, 0.0021176100000000, 0.0029525300000000 ] - [ 0.0000471800000000, 0.0003872800000000, 0.0003007500000000 ] - [ 0.0000173300000000, 0.0004265700000000, 0.0001535300000000 ] - [ 0.0000301300000000, 0.0004348800000000, 0.0000693400000000 ] - [ 0.0000582800000000, -0.0003872900000000, 0.0001135200000000 ] - [ -0.0000830100000000, -0.0004362500000000, 0.0002833000000000 ] - [ 0.0000007500000000, -0.0004162400000000, 0.0002019600000000 ] - [ -0.0000867400000000, -0.0004049200000000, 0.0002686200000000 ] - [ 0.0012516400000000, 0.0000568300000000, -0.0007973900000000 ] - [ 0.0001430500000000, -0.0006110700000000, 0.0001895100000000 ] - [ -0.0002311500000000, -0.0004738300000000, -0.0002395800000000 ] - [ -0.0004194900000000, -0.0004497900000000, -0.0003500200000000 ] - [ -0.0002217200000000, 0.0004886300000000, -0.0001834600000000 ] - [ -0.0003117200000000, 0.0004822200000000, -0.0002444200000000 ] - [ -0.0000505200000000, 0.0001791800000000, -0.0004045200000000 ] - [ -0.0002397700000000, 0.0004665200000000, -0.0001602500000000 ] - [ 0.0003706100000000, 0.0004384200000000, 0.0000857500000000 ] - [ 0.0001149400000000, 0.0005123200000000, 0.0000421600000000 ] - [ 0.0003176600000000, 0.0005014300000000, 0.0001628500000000 ] - [ -0.0000591400000000, 0.0005357100000000, -0.0000929100000000 ] - [ 0.0001792500000000, -0.0008294300000000, 0.0004382000000000 ] - [ 0.0003227200000000, -0.0004764900000000, 0.0002455900000000 ] - [ 0.0002308400000000, -0.0004878800000000, 0.0001362100000000 ] - [ 0.0001259200000000, -0.0004969000000000, 0.0000414000000000 ] - [ 0.0006944500000000, 0.0002415300000000, -0.0016566000000000 ] - [ 0.0004249300000000, 0.0001380100000000, -0.0000171800000000 ] - [ 0.0003858200000000, 0.0001027400000000, -0.0000870400000000 ] - [ 0.0003051700000000, 0.0001711000000000, -0.0002347800000000 ] - [ 0.0003603900000000, -0.0002597900000000, 0.0001285300000000 ] - [ 0.0003148700000000, -0.0001338500000000, -0.0000187100000000 ] - [ 0.0003702800000000, -0.0000940600000000, -0.0001058100000000 ] - [ 0.0003768800000000, -0.0000981200000000, -0.0001000500000000 ] - [ -0.0002175900000000, -0.0001061400000000, -0.0000855700000000 ] - [ -0.0008297500000000, 0.0002229400000000, 0.0000692200000000 ] - [ -0.0002939900000000, 0.0000574400000000, -0.0001103600000000 ] - [ -0.0003678800000000, -0.0001094600000000, 0.0000056200000000 ] - [ -0.0003633600000000, 0.0000572800000000, 0.0000064800000000 ] - [ -0.0003410300000000, 0.0000098400000000, 0.0000050300000000 ] - [ -0.0003317400000000, -0.0001131700000000, 0.0000728900000000 ] - [ -0.0003431200000000, 0.0000560100000000, 0.0000681700000000 ] - [ -0.0011258300000000, -0.0004031500000000, -0.0003482000000000 ] - [ -0.0007349500000000, -0.0000551600000000, -0.0005082100000000 ] - [ -0.0000723500000000, 0.0000142300000000, 0.0002010400000000 ] - [ 0.0000046900000000, 0.0000315800000000, 0.0002249500000000 ] - [ -0.0000724100000000, -0.0000449500000000, 0.0000351500000000 ] - [ 0.0001258100000000, 0.0000733500000000, -0.0000966500000000 ] - [ -0.0000135600000000, 0.0003405000000000, 0.0002443200000000 ] - [ -0.0000738800000000, -0.0000007400000000, 0.0000239600000000 ] - [ -0.0001629600000000, 0.0000327100000000, 0.0004400000000000 ] - [ 0.0000826900000000, -0.0001005400000000, 0.0000958400000000 ] - [ -0.0001109500000000, -0.0001472700000000, -0.0000082300000000 ] - [ 0.0006785600000000, -0.0006620300000000, -0.0000519500000000 ] - [ 0.0002661500000000, 0.0006333200000000, -0.0002143400000000 ] - [ -0.0000835600000000, 0.0001652400000000, -0.0000500000000000 ] - [ 0.0000012500000000, 0.0000727200000000, 0.0000793000000000 ] - [ 0.0000219900000000, 0.0001042400000000, 0.0001629900000000 ] - [ -0.0002522100000000, 0.0003551900000000, 0.0001949800000000 ] - [ 0.0001386600000000, 0.0001728900000000, 0.0001535900000000 ] - [ -0.0001797200000000, 0.0011965300000000, 0.0003550900000000 ] - [ 0.0001121800000000, 0.0002440900000000, 0.0000194100000000 ] - [ 0.0003521600000000, 0.0001798100000000, -0.0006508600000000 ] - [ -0.0002071000000000, -0.0002940800000000, -0.0000710100000000 ] - [ -0.0001381000000000, -0.0003791200000000, 0.0001655600000000 ] - [ -0.0000426100000000, -0.0003982500000000, 0.0002651000000000 ] - [ 0.0029728000000000, 0.0038896500000000, 0.0003349800000000 ] - [ -0.0000763000000000, -0.0004145200000000, -0.0001237100000000 ] - [ 0.0000721500000000, -0.0003960000000000, 0.0000532800000000 ] - [ 0.0001338600000000, -0.0004190100000000, 0.0002002700000000 ] - [ 0.0000192500000000, 0.0004354500000000, 0.0000731700000000 ] - [ 0.0002653600000000, 0.0004921900000000, 0.0000182900000000 ] - [ 0.0000259200000000, 0.0004294400000000, -0.0000669000000000 ] - [ 0.0001205900000000, 0.0004870000000000, -0.0002100300000000 ] - [ 0.0440781400000000, -0.0988091100000000, -0.0874952800000000 ] - [ 0.0000937600000000, 0.0006138900000000, -0.0005876400000000 ] - [ 0.0002805900000000, 0.0006521200000000, -0.0002292800000000 ] - [ 0.0004246900000000, 0.0006349800000000, -0.0001152900000000 ] - [ 0.0004005400000000, -0.0008198500000000, -0.0005620100000000 ] - [ 0.0002312100000000, -0.0005259700000000, -0.0005307300000000 ] - [ 0.0002472200000000, -0.0005520700000000, -0.0002461200000000 ] - [ 0.0004412400000000, -0.0004841300000000, -0.0001488900000000 ] - [ -0.0004245400000000, -0.0006252800000000, 0.0005333600000000 ] - [ -0.0002688500000000, -0.0007234800000000, 0.0006861200000000 ] - [ 0.0002022000000000, -0.0015179400000000, -0.0010299700000000 ] - [ -0.0005200500000000, -0.0006837100000000, 0.0000998500000000 ] - [ -0.0006325700000000, 0.0012407400000000, 0.0003797000000000 ] - [ -0.0003303300000000, 0.0007048500000000, 0.0002777500000000 ] - [ -0.0003885600000000, 0.0006544400000000, 0.0004667800000000 ] - [ -0.0002540700000000, 0.0006615300000000, 0.0005204000000000 ] - [ -0.0007529400000000, -0.0006126400000000, 0.0010672700000000 ] - [ -0.0003409900000000, 0.0004859700000000, -0.0007625100000000 ] - [ -0.0000473600000000, 0.0004248900000000, -0.0003661400000000 ] - [ 0.0001783400000000, 0.0003966500000000, -0.0001234100000000 ] - [ -0.0000535300000000, -0.0004596900000000, -0.0003795800000000 ] - [ 0.0000351300000000, -0.0004286000000000, -0.0003240800000000 ] - [ -0.0003395500000000, -0.0000057000000000, -0.0005625900000000 ] - [ 0.0001975400000000, -0.0003867800000000, -0.0006832800000000 ] - [ -0.0002999900000000, -0.0003317500000000, 0.0006255600000000 ] - [ 0.0006301800000000, -0.0005551500000000, 0.0005873000000000 ] - [ -0.0001284900000000, -0.0005476500000000, 0.0006264800000000 ] - [ 0.0001885300000000, -0.0004756500000000, 0.0007318500000000 ] - [ -0.0000208800000000, 0.0008492000000000, 0.0000376600000000 ] - [ -0.0000994200000000, 0.0004575200000000, 0.0003977500000000 ] - [ -0.0000251000000000, 0.0004536100000000, 0.0005598900000000 ] - [ -0.0000543700000000, 0.0005308000000000, 0.0007869300000000 ]- atom: 33 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ 0.0004399800000000, 0.0000683900000000, -0.0000895600000000 ] - [ -0.0012546300000000, -0.0015159400000000, -0.0015476100000000 ] - [ -0.0027653200000000, 0.0011770800000000, -0.0007039900000000 ] - [ 0.0005986300000000, 0.0001032200000000, -0.0002740800000000 ] - [ 0.0028015100000000, -0.0012009900000000, 0.0003998200000000 ] - [ 0.0061296000000000, 0.0024986500000000, 0.0018524500000000 ] - [ 0.0000507400000000, -0.0000420600000000, -0.0006861500000000 ] - [ 0.0000233700000000, -0.0002969200000000, -0.0005706400000000 ] - [ -0.0010987700000000, 0.0003810800000000, 0.0005160600000000 ] - [ 0.0006032400000000, -0.0000493500000000, 0.0002078700000000 ] - [ 0.0002877500000000, -0.0000548400000000, 0.0000512500000000 ] - [ -0.0003872600000000, -0.0002668300000000, -0.0004281300000000 ] - [ 0.0001988900000000, 0.0004335300000000, -0.0003621800000000 ] - [ -0.0000761500000000, 0.0000856000000000, 0.0001120000000000 ] - [ 0.0006876400000000, -0.0003808100000000, 0.0000225100000000 ] - [ 0.0000395600000000, 0.0005537100000000, 0.0006506900000000 ] - [ -0.0002696400000000, 0.0000125800000000, 0.0001978900000000 ] - [ -0.0004466600000000, -0.0000096300000000, 0.0001292700000000 ] - [ 0.0030969600000000, -0.0000128700000000, -0.0040293000000000 ] - [ -0.0002478100000000, 0.0000539000000000, 0.0002972800000000 ] - [ -0.0004406700000000, -0.0002052200000000, 0.0003723400000000 ] - [ -0.0003027700000000, -0.0000062100000000, 0.0003007100000000 ] - [ -0.0003189400000000, 0.0000543100000000, 0.0001632100000000 ] - [ -0.0003770300000000, 0.0000433400000000, 0.0001600400000000 ] - [ -0.0000612000000000, 0.0031630600000000, 0.0009854100000000 ] - [ 0.0004884400000000, -0.0000571500000000, -0.0002294100000000 ] - [ 0.0003860300000000, -0.0000724700000000, -0.0002877500000000 ] - [ 0.0002956700000000, -0.0001036400000000, -0.0003906900000000 ] - [ 0.0003829600000000, 0.0000181800000000, -0.0002664000000000 ] - [ 0.0003309500000000, -0.0000048000000000, -0.0001940700000000 ] - [ 0.0003188400000000, 0.0002702300000000, -0.0004085000000000 ] - [ 0.0003517500000000, -0.0000505600000000, -0.0001798900000000 ] - [ -0.1615098100000000, -0.0354418200000000, 0.1602450900000000 ] - [ 0.0002781800000000, -0.0004156400000000, -0.0003948400000000 ] - [ 0.0001529800000000, -0.0004053000000000, -0.0004030600000000 ] - [ 0.0000457100000000, -0.0004059400000000, -0.0004365600000000 ] - [ 0.0002362000000000, 0.0004151600000000, -0.0005075500000000 ] - [ -0.0000742200000000, 0.0004211300000000, -0.0001029400000000 ] - [ 0.0002375500000000, 0.0004209300000000, -0.0005223300000000 ] - [ -0.0000749100000000, 0.0003900900000000, -0.0001017700000000 ] - [ 0.0000643300000000, 0.0004285200000000, 0.0001383300000000 ] - [ -0.0000463200000000, 0.0004475700000000, 0.0001310500000000 ] - [ -0.0011720300000000, -0.0000256300000000, 0.0010569300000000 ] - [ 0.0001310600000000, 0.0004204100000000, 0.0001795200000000 ] - [ 0.0000105700000000, -0.0003684300000000, 0.0002540100000000 ] - [ -0.0000907800000000, -0.0004648000000000, 0.0003882200000000 ] - [ 0.0000812800000000, -0.0004187300000000, 0.0000863900000000 ] - [ -0.0000625200000000, -0.0004057600000000, 0.0002529400000000 ] - [ 0.0000618000000000, -0.0005353200000000, -0.0002334600000000 ] - [ -0.0001555800000000, -0.0004463300000000, -0.0001926200000000 ] - [ 0.0003643100000000, -0.0005471500000000, -0.0003528000000000 ] - [ 0.0002147300000000, -0.0006612300000000, 0.0001652600000000 ] - [ -0.0010712700000000, -0.0000878400000000, -0.0001914300000000 ] - [ 0.0000591600000000, 0.0005201300000000, 0.0000564600000000 ] - [ -0.0001801600000000, 0.0004840600000000, -0.0001775300000000 ] - [ -0.0004727100000000, 0.0004423300000000, -0.0003986000000000 ] - [ 0.0007140000000000, 0.0006406100000000, 0.0003758600000000 ] - [ 0.0008575500000000, 0.0003898300000000, 0.0006973600000000 ] - [ 0.0002628200000000, 0.0004814900000000, 0.0000994700000000 ] - [ 0.0001824900000000, 0.0005051300000000, 0.0001338100000000 ] - [ 0.0003251800000000, -0.0004704800000000, 0.0001986000000000 ] - [ 0.0000909700000000, -0.0004832800000000, 0.0000409200000000 ] - [ 0.0000673400000000, -0.0005280100000000, 0.0002091000000000 ] - [ 0.0004106800000000, -0.0004596400000000, 0.0002846900000000 ] - [ 0.0005700300000000, 0.0001470500000000, -0.0000888500000000 ] - [ -0.0003673300000000, 0.0001755200000000, 0.0002767500000000 ] - [ 0.0004448100000000, -0.0000698800000000, -0.0005257200000000 ] - [ 0.0004467100000000, 0.0001302000000000, -0.0000455300000000 ] - [ 0.0003787700000000, -0.0000971900000000, -0.0000934000000000 ] - [ 0.0003760900000000, -0.0001081900000000, -0.0001034600000000 ] - [ 0.0005179800000000, -0.0001302700000000, 0.0001044400000000 ] - [ 0.0004241900000000, -0.0000034000000000, -0.0000472400000000 ] - [ 0.0002902000000000, 0.0014857500000000, -0.0010382200000000 ] - [ -0.0003066500000000, -0.0000307600000000, 0.0001031100000000 ] - [ -0.0002494900000000, -0.0001149700000000, -0.0000636700000000 ] - [ -0.0006301500000000, 0.0000585600000000, 0.0001619400000000 ] - [ -0.0004243000000000, 0.0001672500000000, 0.0001836000000000 ] - [ -0.0003205100000000, 0.0000537700000000, 0.0000584100000000 ] - [ -0.0003397400000000, 0.0000421900000000, -0.0000219100000000 ] - [ -0.0003626000000000, 0.0001042500000000, -0.0000227300000000 ] - [ -0.0004883800000000, 0.0000873300000000, 0.0009626400000000 ] - [ -0.0000406300000000, 0.0000403100000000, 0.0000164700000000 ] - [ -0.0004657000000000, 0.0001082400000000, 0.0002218700000000 ] - [ -0.0002672700000000, 0.0000584600000000, -0.0010704800000000 ] - [ 0.0007026800000000, -0.0002852300000000, -0.0005054900000000 ] - [ -0.0003873600000000, 0.0000720200000000, -0.0000252400000000 ] - [ -0.0001289000000000, -0.0000283900000000, 0.0000757300000000 ] - [ 0.0000220500000000, -0.0001101800000000, 0.0003202200000000 ] - [ -0.0004932300000000, -0.0003485400000000, -0.0001363300000000 ] - [ -0.0004286000000000, 0.0010479200000000, -0.0008604000000000 ] - [ -0.0000117900000000, -0.0000001800000000, 0.0002545600000000 ] - [ -0.0000362600000000, -0.0001141400000000, 0.0001245100000000 ] - [ -0.0000912400000000, 0.0000506900000000, 0.0000026500000000 ] - [ 0.0001476800000000, 0.0001298500000000, 0.0000570900000000 ] - [ 0.0003164500000000, -0.0000228800000000, -0.0001762200000000 ] - [ -0.0002151100000000, 0.0000423500000000, 0.0000410400000000 ] - [ 0.0005388200000000, -0.0007600000000000, 0.0064003400000000 ] - [ -0.0006430900000000, 0.0004872600000000, -0.0001000400000000 ] - [ -0.0002594100000000, 0.0003955900000000, 0.0001919300000000 ] - [ 0.0001549500000000, 0.0004910400000000, 0.0003497600000000 ] - [ -0.0002706100000000, -0.0003276100000000, 0.0002255600000000 ] - [ 0.0001589900000000, -0.0003303600000000, 0.0000823100000000 ] - [ -0.0002559300000000, -0.0008692500000000, 0.0003485300000000 ] - [ -0.0002171300000000, -0.0002355800000000, -0.0002025100000000 ] - [ -0.0001157600000000, -0.0004409100000000, 0.0000176700000000 ] - [ 0.0005075200000000, -0.0005680600000000, 0.0001390900000000 ] - [ 0.0004601900000000, 0.0016137500000000, 0.0009908400000000 ] - [ -0.0001289500000000, -0.0004457900000000, -0.0000676700000000 ] - [ 0.0001507200000000, 0.0004620600000000, -0.0001322400000000 ] - [ -0.0000446200000000, 0.0004400300000000, -0.0002065200000000 ] - [ 0.0000028300000000, 0.0003635800000000, 0.0000959500000000 ] - [ 0.0002100300000000, 0.0003563000000000, 0.0000838700000000 ] - [ 0.0001584600000000, 0.0006806200000000, -0.0002463900000000 ] - [ 0.0005680400000000, 0.0006374400000000, -0.0000529600000000 ] - [ 0.1541796700000000, 0.0310464300000000, -0.1635619200000000 ] - [ -0.0001404500000000, 0.0006098500000000, -0.0005052300000000 ] - [ 0.0001401500000000, -0.0001617900000000, -0.0001876300000000 ] - [ 0.0002125700000000, -0.0008181500000000, -0.0008446100000000 ] - [ 0.0001301400000000, -0.0007006900000000, -0.0001342100000000 ] - [ 0.0008740500000000, -0.0006847600000000, -0.0001949600000000 ] - [ 0.0007366800000000, -0.0021544600000000, -0.0010069800000000 ] - [ -0.0007203200000000, -0.0006130200000000, 0.0003554600000000 ] - [ -0.0004729700000000, -0.0006316000000000, 0.0005125800000000 ] - [ -0.0002140200000000, -0.0006811300000000, 0.0006676100000000 ] - [ -0.0004836300000000, 0.0006019300000000, 0.0004047500000000 ] - [ -0.0002153700000000, 0.0006884700000000, 0.0002518700000000 ] - [ -0.0004350600000000, 0.0005836300000000, 0.0006862100000000 ] - [ -0.0003732600000000, 0.0006745900000000, 0.0003055800000000 ] - [ -0.0005235500000000, 0.0004609700000000, -0.0003314400000000 ] - [ 0.0007294500000000, 0.0004049700000000, -0.0009793300000000 ] - [ -0.0005983200000000, 0.0003899400000000, 0.0006817200000000 ] - [ -0.0004254000000000, 0.0005373600000000, -0.0007094900000000 ] - [ 0.0002852500000000, 0.0003623200000000, -0.0011834000000000 ] - [ -0.0005851800000000, -0.0006851200000000, -0.0004351800000000 ] - [ -0.0000757900000000, -0.0004421200000000, -0.0004098300000000 ] - [ 0.0001047500000000, -0.0003504100000000, -0.0001160800000000 ] - [ -0.0006110500000000, -0.0017334900000000, 0.0008990100000000 ] - [ -0.0005264400000000, -0.0003719500000000, 0.0000599500000000 ] - [ -0.0001919200000000, -0.0003976600000000, 0.0006564300000000 ] - [ 0.0002971400000000, -0.0005759100000000, 0.0004050200000000 ] - [ -0.0001472300000000, 0.0004364300000000, 0.0005527400000000 ] - [ 0.0000798100000000, 0.0004110900000000, 0.0006896800000000 ] - [ 0.0002236600000000, 0.0004685700000000, 0.0002768200000000 ] - [ -0.0002150500000000, 0.0004154800000000, 0.0003883000000000 ]- atom: 33 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ -0.0004771500000000, 0.0001122200000000, -0.0002205000000000 ] - [ 0.0012041800000000, 0.0016717300000000, 0.0012193200000000 ] - [ 0.0026823200000000, -0.0009459800000000, 0.0003185400000000 ] - [ -0.0006316600000000, 0.0000802100000000, -0.0000342300000000 ] - [ -0.0028130100000000, 0.0010030200000000, -0.0006941900000000 ] - [ -0.0062101900000000, -0.0027117500000000, -0.0021302000000000 ] - [ -0.0000880500000000, -0.0001392100000000, 0.0003649200000000 ] - [ -0.0000633000000000, 0.0001122500000000, 0.0002534400000000 ] - [ 0.0011349200000000, -0.0005529600000000, -0.0001998300000000 ] - [ -0.0005609200000000, -0.0001308100000000, 0.0001021000000000 ] - [ -0.0002454500000000, -0.0001270200000000, 0.0002552100000000 ] - [ 0.0004223900000000, 0.0000814700000000, 0.0007250400000000 ] - [ -0.0001566900000000, -0.0002467600000000, 0.0006628300000000 ] - [ 0.0001143300000000, 0.0000975200000000, 0.0001905100000000 ] - [ -0.0006386100000000, 0.0005592600000000, 0.0002969800000000 ] - [ -0.0000051700000000, -0.0003699400000000, -0.0003358300000000 ] - [ -0.0004310900000000, 0.0000380500000000, 0.0002842000000000 ] - [ -0.0002559600000000, 0.0000596900000000, 0.0003506700000000 ] - [ -0.0037518500000000, -0.0000271600000000, 0.0045617200000000 ] - [ -0.0004535600000000, -0.0000005100000000, 0.0001880600000000 ] - [ -0.0002622800000000, 0.0001511600000000, 0.0001140700000000 ] - [ -0.0003986700000000, -0.0000464600000000, 0.0001834500000000 ] - [ -0.0003823400000000, -0.0001054200000000, 0.0003191000000000 ] - [ -0.0003249700000000, -0.0000948200000000, 0.0003222200000000 ] - [ 0.0007440200000000, -0.0031792400000000, -0.0014351000000000 ] - [ 0.0002135000000000, 0.0000076100000000, -0.0002512400000000 ] - [ 0.0003163000000000, 0.0000186700000000, -0.0001973900000000 ] - [ 0.0004055400000000, 0.0000489100000000, -0.0000960800000000 ] - [ 0.0003191900000000, 0.0000341400000000, -0.0002176300000000 ] - [ 0.0003711000000000, 0.0000570600000000, -0.0002893500000000 ] - [ 0.0003823300000000, -0.0002148100000000, -0.0000779400000000 ] - [ 0.0003497100000000, 0.0001006900000000, -0.0003026000000000 ] - [ 0.1653986900000000, 0.0368202500000000, -0.1706568100000000 ] - [ -0.0001981800000000, -0.0004201700000000, -0.0001229300000000 ] - [ -0.0000734100000000, -0.0004304900000000, -0.0001181400000000 ] - [ 0.0000340800000000, -0.0004296200000000, -0.0000867600000000 ] - [ -0.0001561000000000, 0.0004206800000000, -0.0000135600000000 ] - [ 0.0001527700000000, 0.0004142100000000, -0.0004159200000000 ] - [ -0.0001547500000000, 0.0004150000000000, -0.0000021600000000 ] - [ 0.0001521100000000, 0.0004455500000000, -0.0004164700000000 ] - [ -0.0001421300000000, 0.0004072800000000, 0.0003792100000000 ] - [ -0.0000307700000000, 0.0003887100000000, 0.0003839100000000 ] - [ 0.0010846900000000, 0.0008441000000000, -0.0005296000000000 ] - [ -0.0002074400000000, 0.0004155300000000, 0.0003396400000000 ] - [ -0.0000899700000000, -0.0004665800000000, 0.0002671300000000 ] - [ 0.0000115200000000, -0.0003704500000000, 0.0001321000000000 ] - [ -0.0001566300000000, -0.0004174700000000, 0.0004286700000000 ] - [ -0.0000153400000000, -0.0004303900000000, 0.0002645300000000 ] - [ -0.0005436800000000, -0.0004267300000000, -0.0001176500000000 ] - [ -0.0003347700000000, -0.0005140300000000, -0.0001624600000000 ] - [ -0.0008341200000000, -0.0004164600000000, -0.0000067500000000 ] - [ -0.0006999300000000, -0.0003004000000000, -0.0005171600000000 ] - [ 0.0005781200000000, 0.0010616300000000, -0.0001453600000000 ] - [ -0.0005433800000000, 0.0004413100000000, -0.0004061200000000 ] - [ -0.0003056200000000, 0.0004769700000000, -0.0001745200000000 ] - [ -0.0000168900000000, 0.0005181700000000, 0.0000434800000000 ] - [ -0.0002215500000000, 0.0003221200000000, -0.0000206600000000 ] - [ -0.0003741100000000, 0.0005715700000000, -0.0003480400000000 ] - [ 0.0002240200000000, 0.0004795600000000, 0.0002506900000000 ] - [ 0.0003017400000000, 0.0004563400000000, 0.0002157700000000 ] - [ 0.0001610700000000, -0.0004907600000000, 0.0001522100000000 ] - [ 0.0003931400000000, -0.0004777600000000, 0.0003080000000000 ] - [ 0.0004185000000000, -0.0004342000000000, 0.0001441300000000 ] - [ 0.0000772100000000, -0.0005012200000000, 0.0000683200000000 ] - [ 0.0001600600000000, 0.0000070400000000, -0.0000058700000000 ] - [ 0.0010880600000000, -0.0000189100000000, -0.0003746100000000 ] - [ 0.0002842900000000, 0.0002203100000000, 0.0004235600000000 ] - [ 0.0002824200000000, 0.0000230300000000, -0.0000491800000000 ] - [ 0.0003501200000000, -0.0000565400000000, -0.0000021000000000 ] - [ 0.0003529000000000, -0.0000458200000000, 0.0000079100000000 ] - [ 0.0002134200000000, -0.0000204200000000, -0.0001997600000000 ] - [ 0.0003062500000000, -0.0001497600000000, -0.0000455800000000 ] - [ -0.0010080700000000, -0.0016209800000000, 0.0011187300000000 ] - [ -0.0004218500000000, -0.0001230200000000, -0.0000087700000000 ] - [ -0.0004776900000000, -0.0000391100000000, 0.0001561800000000 ] - [ -0.0001017700000000, -0.0002109600000000, -0.0000682300000000 ] - [ -0.0003051700000000, -0.0000118800000000, -0.0000859100000000 ] - [ -0.0004083400000000, 0.0000997600000000, 0.0000368200000000 ] - [ -0.0003886500000000, 0.0001107000000000, 0.0001151000000000 ] - [ -0.0003654400000000, 0.0000490500000000, 0.0001152200000000 ] - [ 0.0004439300000000, 0.0000146500000000, -0.0009455800000000 ] - [ 0.0000056700000000, 0.0000607900000000, -0.0000099900000000 ] - [ 0.0004160100000000, -0.0000054900000000, -0.0002220000000000 ] - [ 0.0002410000000000, 0.0000444600000000, 0.0010616500000000 ] - [ -0.0007385700000000, 0.0001847000000000, 0.0004988000000000 ] - [ 0.0003483100000000, -0.0001717400000000, 0.0000273500000000 ] - [ 0.0000913400000000, -0.0000729400000000, -0.0000714300000000 ] - [ -0.0000585300000000, 0.0000069400000000, -0.0003103800000000 ] - [ 0.0005245800000000, 0.0002437100000000, 0.0001299500000000 ] - [ 0.0004731600000000, -0.0011612400000000, 0.0008552000000000 ] - [ 0.0000471100000000, -0.0001000500000000, -0.0002515000000000 ] - [ 0.0000729300000000, 0.0000120900000000, -0.0001242700000000 ] - [ 0.0001269900000000, 0.0000508000000000, -0.0000045800000000 ] - [ -0.0001101600000000, -0.0000272800000000, -0.0000584100000000 ] - [ -0.0002769000000000, 0.0001223300000000, 0.0001721400000000 ] - [ 0.0002491700000000, 0.0000588400000000, -0.0000441400000000 ] - [ -0.0007672300000000, 0.0014973800000000, -0.0060585100000000 ] - [ 0.0004449500000000, 0.0002901700000000, 0.0002060000000000 ] - [ 0.0000595100000000, 0.0003837700000000, -0.0000814700000000 ] - [ -0.0003498000000000, 0.0002898300000000, -0.0002348900000000 ] - [ 0.0000712100000000, -0.0004506600000000, -0.0001153500000000 ] - [ -0.0003545600000000, -0.0004477600000000, 0.0000280900000000 ] - [ 0.0000499000000000, 0.0000781700000000, -0.0002395200000000 ] - [ 0.0000195400000000, -0.0005419900000000, 0.0003071200000000 ] - [ 0.0003125300000000, -0.0003385200000000, -0.0001238200000000 ] - [ -0.0003049100000000, -0.0002149700000000, -0.0002403600000000 ] - [ -0.0002598900000000, -0.0023632000000000, -0.0010838300000000 ] - [ 0.0003258000000000, -0.0003334900000000, -0.0000403700000000 ] - [ 0.0000485600000000, 0.0003163000000000, 0.0000196900000000 ] - [ 0.0002420000000000, 0.0003385800000000, 0.0000956500000000 ] - [ 0.0001936700000000, 0.0004148400000000, -0.0002000000000000 ] - [ -0.0000102300000000, 0.0004223200000000, -0.0001881500000000 ] - [ 0.0005411000000000, 0.0006339900000000, -0.0005228400000000 ] - [ 0.0001347000000000, 0.0006763800000000, -0.0007115100000000 ] - [ -0.1572565100000000, -0.0318315300000000, 0.1724231100000000 ] - [ 0.0008354200000000, 0.0006975600000000, -0.0002704200000000 ] - [ 0.0005584800000000, -0.0011457200000000, -0.0005846600000000 ] - [ 0.0004880500000000, -0.0004942900000000, 0.0000720700000000 ] - [ 0.0005647300000000, -0.0006092200000000, -0.0006319100000000 ] - [ -0.0001690200000000, -0.0006255000000000, -0.0005722300000000 ] - [ -0.0014214600000000, 0.0008322900000000, 0.0017510100000000 ] - [ 0.0000162100000000, -0.0007028500000000, 0.0004133400000000 ] - [ -0.0002267400000000, -0.0006767800000000, 0.0002614400000000 ] - [ -0.0004845500000000, -0.0006288100000000, 0.0001105900000000 ] - [ -0.0002157700000000, 0.0007068700000000, 0.0003656900000000 ] - [ -0.0004836100000000, 0.0006213600000000, 0.0005192500000000 ] - [ -0.0002692200000000, 0.0007291300000000, 0.0000910400000000 ] - [ -0.0003280500000000, 0.0006410500000000, 0.0004671500000000 ] - [ 0.0005555700000000, 0.0004206400000000, -0.0006240700000000 ] - [ -0.0006807900000000, 0.0004767000000000, 0.0000285400000000 ] - [ 0.0006244000000000, 0.0004914400000000, -0.0016132500000000 ] - [ 0.0004615200000000, 0.0003437900000000, -0.0002453500000000 ] - [ -0.0002349300000000, -0.0012530700000000, 0.0002169300000000 ] - [ 0.0006214400000000, -0.0001948800000000, -0.0005251800000000 ] - [ 0.0001117700000000, -0.0004387700000000, -0.0005436900000000 ] - [ -0.0000662600000000, -0.0005285700000000, -0.0008330500000000 ] - [ 0.0005647000000000, 0.0008400900000000, 0.0000605100000000 ] - [ 0.0004905300000000, -0.0005089000000000, 0.0008972200000000 ] - [ 0.0001524400000000, -0.0004821100000000, 0.0003014800000000 ] - [ -0.0003296200000000, -0.0003054400000000, 0.0005523200000000 ] - [ 0.0001092200000000, 0.0004440600000000, 0.0004048000000000 ] - [ -0.0001163600000000, 0.0004691200000000, 0.0002707500000000 ] - [ -0.0002599700000000, 0.0004106500000000, 0.0006726400000000 ] - [ 0.0001771100000000, 0.0004644300000000, 0.0005647200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000345500000000, 0.0000482600000000, -0.0001368200000000 ] - [ -0.0004614300000000, -0.0004933300000000, -0.0000828100000000 ] - [ 0.0007170000000000, 0.0005874500000000, -0.0025156600000000 ] - [ -0.0000110100000000, 0.0000944000000000, -0.0001948600000000 ] - [ -0.0003786600000000, -0.0006491600000000, 0.0004527300000000 ] - [ 0.0017908600000000, -0.0005174900000000, -0.0002330100000000 ] - [ -0.0000018500000000, -0.0001214400000000, -0.0002076700000000 ] - [ -0.0000141000000000, -0.0001401000000000, -0.0002411300000000 ] - [ -0.0000753000000000, 0.0008182700000000, -0.0002172700000000 ] - [ -0.0000081700000000, -0.0000052500000000, 0.0001661500000000 ] - [ 0.0000258200000000, -0.0000750100000000, 0.0001446200000000 ] - [ 0.0000318100000000, -0.0000650400000000, 0.0000193400000000 ] - [ 0.0000242000000000, 0.0001831600000000, 0.0001225700000000 ] - [ 0.0000207300000000, 0.0001488100000000, 0.0000769800000000 ] - [ 0.0000048400000000, 0.0001294800000000, 0.0004075200000000 ] - [ 0.0003393400000000, 0.0003485800000000, 0.0004438200000000 ] - [ -0.0003384900000000, 0.0000188800000000, 0.0002301400000000 ] - [ -0.0003617700000000, -0.0000011400000000, 0.0002096000000000 ] - [ -0.0228139400000000, -0.0054276800000000, 0.0259329000000000 ] - [ -0.0003417400000000, 0.0000123800000000, 0.0002439600000000 ] - [ -0.0004716600000000, 0.0000143800000000, 0.0003840800000000 ] - [ -0.0003033400000000, 0.0000270900000000, 0.0002286900000000 ] - [ -0.0003475400000000, -0.0000166800000000, 0.0002388000000000 ] - [ -0.0003604600000000, -0.0000198900000000, 0.0002251100000000 ] - [ 0.0019537400000000, 0.0015261800000000, -0.0010802100000000 ] - [ 0.0003169000000000, -0.0000592900000000, -0.0002310000000000 ] - [ 0.0003526900000000, -0.0000384300000000, -0.0002523600000000 ] - [ 0.0003429600000000, -0.0000482500000000, -0.0002724900000000 ] - [ 0.0003539500000000, 0.0000122000000000, -0.0002365900000000 ] - [ 0.0004003800000000, 0.0000544900000000, -0.0001770400000000 ] - [ 0.0003786000000000, -0.0000324800000000, -0.0001733200000000 ] - [ 0.0003480800000000, 0.0000668800000000, -0.0002694300000000 ] - [ -0.0366174900000000, -0.0563127100000000, 0.0306050400000000 ] - [ 0.0000420900000000, -0.0004244300000000, -0.0002373400000000 ] - [ 0.0000517100000000, -0.0004163100000000, -0.0002818300000000 ] - [ 0.0000510700000000, -0.0004157900000000, -0.0002995200000000 ] - [ 0.0000366200000000, 0.0004229500000000, -0.0002568800000000 ] - [ 0.0000663900000000, 0.0004108600000000, -0.0001911400000000 ] - [ 0.0000419500000000, 0.0004233400000000, -0.0002640800000000 ] - [ 0.0000358900000000, 0.0004109100000000, -0.0003133800000000 ] - [ -0.0000289800000000, 0.0004205100000000, 0.0002385100000000 ] - [ -0.0000101900000000, 0.0004324700000000, 0.0002036900000000 ] - [ -0.0004723800000000, 0.0012436700000000, 0.0014726100000000 ] - [ -0.0000360200000000, 0.0004116600000000, 0.0002880200000000 ] - [ -0.0000876500000000, -0.0004211900000000, 0.0003303000000000 ] - [ 0.0000072300000000, -0.0003591200000000, 0.0002564500000000 ] - [ -0.0000383700000000, -0.0004079700000000, 0.0002561400000000 ] - [ -0.0000510200000000, -0.0004191100000000, 0.0002523700000000 ] - [ -0.0001552500000000, -0.0004874900000000, -0.0002057100000000 ] - [ -0.0002320700000000, -0.0004538600000000, -0.0002032600000000 ] - [ -0.0002352300000000, -0.0003599900000000, -0.0001905800000000 ] - [ -0.0001868800000000, -0.0004828300000000, -0.0001396300000000 ] - [ -0.0005399100000000, 0.0022195100000000, 0.0006318000000000 ] - [ -0.0002222200000000, 0.0004791600000000, -0.0001555800000000 ] - [ -0.0002443100000000, 0.0004794400000000, -0.0001800600000000 ] - [ -0.0002747400000000, 0.0004733400000000, -0.0002086900000000 ] - [ 0.0002642200000000, 0.0004993400000000, 0.0001240800000000 ] - [ -0.0000455000000000, 0.0005595300000000, -0.0000938000000000 ] - [ 0.0002417000000000, 0.0004802800000000, 0.0001698000000000 ] - [ 0.0002309400000000, 0.0004816100000000, 0.0001590000000000 ] - [ 0.0002451300000000, -0.0004782100000000, 0.0001752100000000 ] - [ 0.0002416400000000, -0.0004690300000000, 0.0001704500000000 ] - [ 0.0002749000000000, -0.0004222600000000, 0.0002378700000000 ] - [ 0.0002441200000000, -0.0004745800000000, 0.0001796500000000 ] - [ 0.0003865500000000, 0.0000863900000000, -0.0000535200000000 ] - [ 0.0002476500000000, 0.0000156500000000, -0.0002312400000000 ] - [ 0.0003984100000000, 0.0000493200000000, -0.0001758600000000 ] - [ 0.0003623100000000, 0.0000762300000000, -0.0000503800000000 ] - [ 0.0003708200000000, -0.0000734000000000, -0.0000497300000000 ] - [ 0.0003664100000000, -0.0000881700000000, -0.0000522100000000 ] - [ 0.0002993700000000, 0.0004040100000000, -0.0002962200000000 ] - [ 0.0003522900000000, -0.0000557600000000, -0.0000537600000000 ] - [ -0.0003941600000000, -0.0000750000000000, 0.0001637400000000 ] - [ -0.0003879900000000, -0.0001329200000000, 0.0000426600000000 ] - [ -0.0003533100000000, -0.0000952500000000, 0.0000259800000000 ] - [ -0.0003730500000000, -0.0000765200000000, 0.0000546900000000 ] - [ -0.0002712400000000, 0.0001736000000000, -0.0001291100000000 ] - [ -0.0003904900000000, 0.0000991100000000, 0.0000574500000000 ] - [ -0.0003653500000000, 0.0000753900000000, 0.0000387900000000 ] - [ -0.0003620800000000, 0.0000893600000000, 0.0000399400000000 ] - [ -0.0000962500000000, 0.0000166800000000, 0.0002014800000000 ] - [ -0.0000153700000000, 0.0000776400000000, 0.0000276700000000 ] - [ -0.0001975800000000, 0.0000584600000000, 0.0000740000000000 ] - [ 0.0000193200000000, 0.0004413500000000, -0.0000862900000000 ] - [ -0.0002271100000000, -0.0008531800000000, -0.0006758400000000 ] - [ -0.0000232300000000, -0.0000478800000000, -0.0000193400000000 ] - [ -0.0000235200000000, -0.0000495700000000, 0.0000205300000000 ] - [ -0.0000512600000000, -0.0000876100000000, 0.0000965600000000 ] - [ -0.0000559900000000, -0.0000700300000000, 0.0000153500000000 ] - [ 0.0005934400000000, -0.0003021900000000, 0.0001368100000000 ] - [ 0.0000145300000000, -0.0000508100000000, 0.0000134300000000 ] - [ 0.0000181400000000, -0.0000630900000000, 0.0000219500000000 ] - [ 0.0000126700000000, 0.0000301600000000, 0.0000023800000000 ] - [ 0.0000334100000000, 0.0000148800000000, -0.0000192900000000 ] - [ 0.0000106000000000, -0.0001402400000000, 0.0000765000000000 ] - [ 0.0000343700000000, 0.0000261000000000, -0.0000019000000000 ] - [ -0.0007132400000000, 0.0045915300000000, 0.0011722300000000 ] - [ -0.0001423100000000, 0.0004705400000000, 0.0000016300000000 ] - [ -0.0001134600000000, 0.0003988400000000, 0.0000814700000000 ] - [ -0.0000681200000000, 0.0004297600000000, 0.0001335500000000 ] - [ -0.0001053500000000, -0.0003704400000000, 0.0000532700000000 ] - [ -0.0000710000000000, -0.0003616800000000, 0.0000037900000000 ] - [ -0.0000612900000000, 0.0000341100000000, 0.0000346400000000 ] - [ 0.0000008200000000, -0.0003879200000000, 0.0000998300000000 ] - [ 0.0000940600000000, -0.0004001600000000, -0.0000321100000000 ] - [ 0.0001029200000000, -0.0004114300000000, 0.0000336700000000 ] - [ 0.0006752200000000, 0.0010659500000000, 0.0001720800000000 ] - [ 0.0000784300000000, -0.0003686700000000, -0.0000744600000000 ] - [ 0.0001606200000000, 0.0001025200000000, -0.0001855400000000 ] - [ 0.0000693000000000, 0.0002905100000000, -0.0000407100000000 ] - [ 0.0000917000000000, 0.0003777600000000, -0.0000435100000000 ] - [ 0.0001203200000000, 0.0003832400000000, -0.0000293500000000 ] - [ 0.0003282700000000, 0.0006686400000000, -0.0003610600000000 ] - [ 0.0003632000000000, 0.0006810200000000, -0.0003259400000000 ] - [ 0.0561172400000000, 0.0540983800000000, -0.0565933700000000 ] - [ 0.0003303800000000, 0.0006701400000000, -0.0004062700000000 ] - [ 0.0003902400000000, -0.0004398800000000, -0.0005389600000000 ] - [ 0.0002383600000000, -0.0006759100000000, -0.0004703800000000 ] - [ 0.0003372100000000, -0.0006650800000000, -0.0003649100000000 ] - [ 0.0003179700000000, -0.0006302000000000, -0.0003467800000000 ] - [ -0.0006612200000000, -0.0015185400000000, 0.0000703400000000 ] - [ -0.0003211900000000, -0.0006513700000000, 0.0003398400000000 ] - [ -0.0003571200000000, -0.0006502800000000, 0.0004118700000000 ] - [ -0.0003524400000000, -0.0006688100000000, 0.0004614700000000 ] - [ -0.0003113800000000, 0.0006505500000000, 0.0003342800000000 ] - [ -0.0004048200000000, 0.0005187400000000, 0.0003447600000000 ] - [ -0.0004012800000000, 0.0007092100000000, 0.0003401000000000 ] - [ -0.0003469200000000, 0.0006055600000000, 0.0003758300000000 ] - [ -0.0000814900000000, 0.0004627800000000, -0.0004911400000000 ] - [ 0.0000905200000000, 0.0005646500000000, -0.0004781500000000 ] - [ -0.0000783900000000, 0.0003605000000000, -0.0004247800000000 ] - [ -0.0000277200000000, 0.0004540700000000, -0.0004950600000000 ] - [ 0.0009471700000000, -0.0018033500000000, -0.0002446700000000 ] - [ -0.0000311700000000, -0.0004913100000000, -0.0004567500000000 ] - [ 0.0000099500000000, -0.0004397400000000, -0.0004688800000000 ] - [ 0.0000255900000000, -0.0004227100000000, -0.0004259600000000 ] - [ 0.0000116500000000, -0.0003045600000000, 0.0004504900000000 ] - [ 0.0002078200000000, -0.0004744400000000, 0.0006761300000000 ] - [ -0.0000196300000000, -0.0004200200000000, 0.0004811500000000 ] - [ 0.0000199900000000, -0.0004413700000000, 0.0004775100000000 ] - [ -0.0000224400000000, 0.0004349100000000, 0.0004875500000000 ] - [ -0.0000315900000000, 0.0004158100000000, 0.0005087700000000 ] - [ -0.0000652400000000, 0.0002639100000000, 0.0005249200000000 ] - [ -0.0000168100000000, 0.0003976000000000, 0.0004775300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000738700000000, 0.0001346600000000, -0.0001713700000000 ] - [ 0.0004222900000000, 0.0006834000000000, -0.0002299500000000 ] - [ -0.0007672800000000, -0.0003768000000000, 0.0022222600000000 ] - [ -0.0000269100000000, 0.0000907000000000, -0.0001144400000000 ] - [ 0.0003397000000000, 0.0004781900000000, -0.0007600900000000 ] - [ -0.0018145100000000, 0.0003685700000000, -0.0000588600000000 ] - [ -0.0000372400000000, -0.0000589800000000, -0.0001042800000000 ] - [ -0.0000257000000000, -0.0000407000000000, -0.0000682100000000 ] - [ 0.0001134500000000, -0.0010025300000000, 0.0005187500000000 ] - [ 0.0000480000000000, -0.0001774700000000, 0.0001421800000000 ] - [ 0.0000142000000000, -0.0001079300000000, 0.0001641000000000 ] - [ 0.0000088300000000, -0.0001158000000000, 0.0002944800000000 ] - [ 0.0000158300000000, -0.0000031800000000, 0.0001858700000000 ] - [ 0.0000184400000000, 0.0000318600000000, 0.0002307600000000 ] - [ 0.0000294700000000, 0.0000496400000000, -0.0000990100000000 ] - [ -0.0002930400000000, -0.0001700900000000, -0.0001314200000000 ] - [ -0.0003632300000000, 0.0000317800000000, 0.0002527500000000 ] - [ -0.0003398500000000, 0.0000523700000000, 0.0002738200000000 ] - [ 0.0221702000000000, 0.0055325900000000, -0.0252693900000000 ] - [ -0.0003604100000000, 0.0000400700000000, 0.0002401800000000 ] - [ -0.0002289700000000, -0.0000655500000000, 0.0000975300000000 ] - [ -0.0003988500000000, -0.0000779400000000, 0.0002541100000000 ] - [ -0.0003543600000000, -0.0000359000000000, 0.0002449200000000 ] - [ -0.0003412900000000, -0.0000324400000000, 0.0002587100000000 ] - [ -0.0012275700000000, -0.0015739000000000, 0.0005844600000000 ] - [ 0.0003849400000000, 0.0000085500000000, -0.0002513900000000 ] - [ 0.0003492700000000, -0.0000149800000000, -0.0002318300000000 ] - [ 0.0003591400000000, -0.0000052400000000, -0.0002114600000000 ] - [ 0.0003481200000000, 0.0000408800000000, -0.0002474100000000 ] - [ 0.0003007000000000, -0.0000016400000000, -0.0003081000000000 ] - [ 0.0003232300000000, 0.0000835700000000, -0.0003099200000000 ] - [ 0.0003537900000000, -0.0000160800000000, -0.0002132900000000 ] - [ 0.0354602400000000, 0.0540917400000000, -0.0297013700000000 ] - [ 0.0000375700000000, -0.0004112800000000, -0.0002819500000000 ] - [ 0.0000265100000000, -0.0004196600000000, -0.0002369900000000 ] - [ 0.0000276300000000, -0.0004199800000000, -0.0002198300000000 ] - [ 0.0000425400000000, 0.0004133800000000, -0.0002631700000000 ] - [ 0.0000106100000000, 0.0004252100000000, -0.0003276700000000 ] - [ 0.0000364300000000, 0.0004137800000000, -0.0002539000000000 ] - [ 0.0000430400000000, 0.0004252500000000, -0.0002055900000000 ] - [ -0.0000501000000000, 0.0004150100000000, 0.0002812000000000 ] - [ -0.0000688500000000, 0.0004029700000000, 0.0003160900000000 ] - [ 0.0003926400000000, -0.0003974000000000, -0.0009411000000000 ] - [ -0.0000411400000000, 0.0004243000000000, 0.0002302300000000 ] - [ 0.0000101500000000, -0.0004148400000000, 0.0001871500000000 ] - [ -0.0000872200000000, -0.0004769000000000, 0.0002632700000000 ] - [ -0.0000397600000000, -0.0004284000000000, 0.0002627900000000 ] - [ -0.0000264700000000, -0.0004170500000000, 0.0002660600000000 ] - [ -0.0003314600000000, -0.0004732200000000, -0.0001451000000000 ] - [ -0.0002525200000000, -0.0005076400000000, -0.0001471500000000 ] - [ -0.0002416500000000, -0.0006029000000000, -0.0001675700000000 ] - [ -0.0003025600000000, -0.0004762400000000, -0.0002146800000000 ] - [ 0.0000628900000000, -0.0012877500000000, -0.0009972000000000 ] - [ -0.0002626400000000, 0.0004822500000000, -0.0001945900000000 ] - [ -0.0002416900000000, 0.0004817600000000, -0.0001713200000000 ] - [ -0.0002113400000000, 0.0004879000000000, -0.0001427700000000 ] - [ 0.0002220300000000, 0.0004604800000000, 0.0002261000000000 ] - [ 0.0005306400000000, 0.0004021500000000, 0.0004441200000000 ] - [ 0.0002438700000000, 0.0004806200000000, 0.0001814900000000 ] - [ 0.0002556500000000, 0.0004792000000000, 0.0001926600000000 ] - [ 0.0002407800000000, -0.0004831100000000, 0.0001758600000000 ] - [ 0.0002436900000000, -0.0004924900000000, 0.0001801200000000 ] - [ 0.0002110800000000, -0.0005381600000000, 0.0001141200000000 ] - [ 0.0002423900000000, -0.0004866100000000, 0.0001720300000000 ] - [ 0.0003417400000000, 0.0000661800000000, -0.0000408000000000 ] - [ 0.0004822900000000, 0.0001349800000000, 0.0001391700000000 ] - [ 0.0003290200000000, 0.0000969600000000, 0.0000796600000000 ] - [ 0.0003659700000000, 0.0000761900000000, -0.0000443200000000 ] - [ 0.0003576500000000, -0.0000797100000000, -0.0000447100000000 ] - [ 0.0003622300000000, -0.0000647400000000, -0.0000424700000000 ] - [ 0.0004283800000000, -0.0005653800000000, 0.0002053500000000 ] - [ 0.0003756100000000, -0.0000963800000000, -0.0000407000000000 ] - [ -0.0003357600000000, -0.0000882900000000, -0.0000669700000000 ] - [ -0.0003406900000000, -0.0000207500000000, 0.0000517600000000 ] - [ -0.0003749800000000, -0.0000592400000000, 0.0000671300000000 ] - [ -0.0003542800000000, -0.0000786100000000, 0.0000390300000000 ] - [ -0.0004590800000000, -0.0000210000000000, 0.0002256000000000 ] - [ -0.0003375100000000, 0.0000545500000000, 0.0000370500000000 ] - [ -0.0003630000000000, 0.0000777000000000, 0.0000554400000000 ] - [ -0.0003663800000000, 0.0000637600000000, 0.0000542400000000 ] - [ 0.0000606700000000, 0.0000839100000000, -0.0002015500000000 ] - [ -0.0000216400000000, 0.0000240000000000, -0.0000252600000000 ] - [ 0.0001533400000000, 0.0000455600000000, -0.0000695300000000 ] - [ -0.0000470400000000, -0.0003381300000000, 0.0000929900000000 ] - [ 0.0001959900000000, 0.0007610700000000, 0.0006893500000000 ] - [ -0.0000141000000000, -0.0000545000000000, 0.0000216900000000 ] - [ -0.0000133200000000, -0.0000524800000000, -0.0000176100000000 ] - [ 0.0000151800000000, -0.0000151100000000, -0.0000934300000000 ] - [ 0.0000922400000000, -0.0000296700000000, -0.0000175800000000 ] - [ -0.0005526900000000, 0.0002063700000000, -0.0001383700000000 ] - [ 0.0000229000000000, -0.0000489700000000, -0.0000162800000000 ] - [ 0.0000182900000000, -0.0000375300000000, -0.0000245300000000 ] - [ 0.0000238300000000, 0.0000712400000000, -0.0000049900000000 ] - [ 0.0000025400000000, 0.0000871700000000, 0.0000184200000000 ] - [ 0.0000258100000000, 0.0002413400000000, -0.0000821400000000 ] - [ 0.0000022700000000, 0.0000750400000000, -0.0000009400000000 ] - [ 0.0004880000000000, -0.0037976900000000, -0.0010194400000000 ] - [ -0.0000566400000000, 0.0003082000000000, 0.0001049400000000 ] - [ -0.0000846400000000, 0.0003802900000000, 0.0000269600000000 ] - [ -0.0001299100000000, 0.0003494100000000, -0.0000251300000000 ] - [ -0.0000931900000000, -0.0004090900000000, 0.0000554900000000 ] - [ -0.0001262100000000, -0.0004183500000000, 0.0001049000000000 ] - [ -0.0001323600000000, -0.0008155700000000, 0.0000687900000000 ] - [ -0.0002005500000000, -0.0003917900000000, 0.0000066300000000 ] - [ 0.0001042700000000, -0.0003779600000000, -0.0000753800000000 ] - [ 0.0000950500000000, -0.0003659200000000, -0.0001413000000000 ] - [ -0.0004780500000000, -0.0018722700000000, -0.0003076100000000 ] - [ 0.0001189600000000, -0.0004089200000000, -0.0000326600000000 ] - [ 0.0000351000000000, 0.0006782100000000, 0.0000801900000000 ] - [ 0.0001301100000000, 0.0004881200000000, -0.0000671600000000 ] - [ 0.0001065500000000, 0.0004010800000000, -0.0000638800000000 ] - [ 0.0000770600000000, 0.0003956000000000, -0.0000779800000000 ] - [ 0.0003733400000000, 0.0006462600000000, -0.0004111600000000 ] - [ 0.0003377300000000, 0.0006318400000000, -0.0004455600000000 ] - [ -0.0542458500000000, -0.0515193000000000, 0.0541665100000000 ] - [ 0.0003673500000000, 0.0006377200000000, -0.0003654500000000 ] - [ 0.0003082100000000, -0.0008748600000000, -0.0002305200000000 ] - [ 0.0004631600000000, -0.0006406000000000, -0.0003040200000000 ] - [ 0.0003619900000000, -0.0006449300000000, -0.0004068300000000 ] - [ 0.0003817100000000, -0.0006798400000000, -0.0004238900000000 ] - [ -0.0000459800000000, 0.0002083500000000, 0.0007022500000000 ] - [ -0.0003805400000000, -0.0006628100000000, 0.0004323100000000 ] - [ -0.0003414800000000, -0.0006579700000000, 0.0003594300000000 ] - [ -0.0003468900000000, -0.0006396100000000, 0.0003094300000000 ] - [ -0.0003888900000000, 0.0006593000000000, 0.0004385200000000 ] - [ -0.0002924800000000, 0.0007927000000000, 0.0004285200000000 ] - [ -0.0002992400000000, 0.0006048600000000, 0.0004319000000000 ] - [ -0.0003556000000000, 0.0007098300000000, 0.0003961500000000 ] - [ 0.0001195100000000, 0.0004183600000000, -0.0004651400000000 ] - [ -0.0000546800000000, 0.0003159300000000, -0.0004814000000000 ] - [ 0.0001100600000000, 0.0005229600000000, -0.0005138900000000 ] - [ 0.0000677400000000, 0.0004261900000000, -0.0004582800000000 ] - [ -0.0009224100000000, 0.0009380100000000, -0.0007157100000000 ] - [ 0.0000658800000000, -0.0003925000000000, -0.0004988500000000 ] - [ 0.0000269200000000, -0.0004418300000000, -0.0004867100000000 ] - [ 0.0000113100000000, -0.0004585300000000, -0.0005289100000000 ] - [ -0.0000491800000000, -0.0005682800000000, 0.0005068700000000 ] - [ -0.0002440400000000, -0.0004063900000000, 0.0002805700000000 ] - [ -0.0000170900000000, -0.0004595700000000, 0.0004753700000000 ] - [ -0.0000590000000000, -0.0004377500000000, 0.0004779400000000 ] - [ -0.0000146500000000, 0.0004462400000000, 0.0004684700000000 ] - [ -0.0000046000000000, 0.0004654800000000, 0.0004471300000000 ] - [ 0.0000304000000000, 0.0006166100000000, 0.0004291900000000 ] - [ -0.0000212400000000, 0.0004831600000000, 0.0004778500000000 ]- atom: 33 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ -0.0006199400000000, 0.0001820100000000, -0.0001907300000000 ] - [ 0.0016403300000000, 0.0027858500000000, 0.0026742700000000 ] - [ 0.0030307200000000, -0.0034426100000000, 0.0040853300000000 ] - [ -0.0007525900000000, -0.0000720100000000, -0.0000093300000000 ] - [ -0.0036518300000000, 0.0015850800000000, -0.0025829300000000 ] - [ -0.0046773600000000, -0.0023255900000000, -0.0044880600000000 ] - [ -0.0001302900000000, -0.0001359800000000, 0.0008464500000000 ] - [ -0.0000928000000000, 0.0001726500000000, 0.0008613100000000 ] - [ 0.0013229000000000, -0.0010170800000000, -0.0004772900000000 ] - [ -0.0006893000000000, -0.0002132800000000, -0.0000023800000000 ] - [ -0.0002924900000000, -0.0001071100000000, 0.0004199100000000 ] - [ 0.0005328000000000, 0.0002226200000000, 0.0012310200000000 ] - [ -0.0003290200000000, -0.0004725000000000, 0.0011496000000000 ] - [ 0.0002211500000000, 0.0000375700000000, 0.0004649200000000 ] - [ -0.0009252700000000, 0.0007620100000000, -0.0001953300000000 ] - [ 0.0002028100000000, -0.0000468300000000, -0.0008393400000000 ] - [ -0.0004707500000000, 0.0000624100000000, 0.0003466900000000 ] - [ -0.0002205100000000, 0.0001322800000000, 0.0005057900000000 ] - [ -0.0109621300000000, -0.0011760500000000, 0.0137251000000000 ] - [ -0.0003896700000000, -0.0000047100000000, 0.0000905100000000 ] - [ -0.0002149200000000, 0.0002934500000000, -0.0000916300000000 ] - [ -0.0003933600000000, -0.0000404600000000, 0.0001606800000000 ] - [ -0.0004029800000000, -0.0001731100000000, 0.0003848000000000 ] - [ -0.0003301800000000, -0.0001816200000000, 0.0004207000000000 ] - [ 0.0007420600000000, -0.0047468000000000, -0.0035936200000000 ] - [ 0.0002087200000000, -0.0000008600000000, -0.0003353900000000 ] - [ 0.0003087600000000, 0.0000751900000000, -0.0001241300000000 ] - [ 0.0004276700000000, 0.0001817900000000, 0.0000826400000000 ] - [ 0.0002977400000000, 0.0000400700000000, -0.0001986200000000 ] - [ 0.0003885000000000, 0.0000552500000000, -0.0002608000000000 ] - [ 0.0003991800000000, -0.0003894500000000, 0.0000396000000000 ] - [ 0.0003599000000000, 0.0000954400000000, -0.0002973500000000 ] - [ 0.2412681200000000, 0.0491663600000000, -0.2779529100000000 ] - [ -0.0002200500000000, -0.0004035800000000, -0.0002594500000000 ] - [ -0.0001393600000000, -0.0004425800000000, 0.0000248700000000 ] - [ -0.0000895100000000, -0.0004546100000000, 0.0001983100000000 ] - [ -0.0002800200000000, 0.0004234100000000, 0.0001597400000000 ] - [ 0.0002290000000000, 0.0004542100000000, -0.0004374600000000 ] - [ -0.0002695200000000, 0.0004136200000000, 0.0001670400000000 ] - [ 0.0002283600000000, 0.0003878300000000, -0.0004388900000000 ] - [ -0.0001952100000000, 0.0003953600000000, 0.0004919500000000 ] - [ -0.0001239100000000, 0.0003577300000000, 0.0006113500000000 ] - [ 0.0012958800000000, 0.0015790100000000, -0.0010901100000000 ] - [ -0.0002111500000000, 0.0004371200000000, 0.0002073300000000 ] - [ -0.0000786300000000, -0.0005023500000000, 0.0001869500000000 ] - [ 0.0000872300000000, -0.0003831600000000, 0.0000637800000000 ] - [ -0.0002416700000000, -0.0004154200000000, 0.0005531000000000 ] - [ -0.0000266100000000, -0.0004216400000000, 0.0003276000000000 ] - [ -0.0007933100000000, -0.0003848600000000, -0.0000034200000000 ] - [ -0.0000266300000000, -0.0005555500000000, 0.0000531700000000 ] - [ -0.0010583800000000, -0.0003986400000000, 0.0002860800000000 ] - [ -0.0001542000000000, -0.0005355200000000, -0.0000234500000000 ] - [ 0.0003422900000000, 0.0010105200000000, -0.0010089700000000 ] - [ -0.0006465700000000, 0.0004163300000000, -0.0005029000000000 ] - [ -0.0002883500000000, 0.0004823400000000, -0.0001200200000000 ] - [ 0.0001405700000000, 0.0005376000000000, 0.0002234600000000 ] - [ -0.0006545700000000, 0.0001110700000000, -0.0002352300000000 ] - [ -0.0002552400000000, 0.0005494300000000, -0.0002391800000000 ] - [ 0.0002275500000000, 0.0004731700000000, 0.0003250300000000 ] - [ 0.0004247000000000, 0.0004476200000000, 0.0003679900000000 ] - [ 0.0001575600000000, -0.0004904800000000, 0.0001806800000000 ] - [ 0.0004898800000000, -0.0004815200000000, 0.0004271400000000 ] - [ 0.0003753400000000, -0.0004178300000000, 0.0000133000000000 ] - [ 0.0000280000000000, -0.0005056400000000, 0.0000036400000000 ] - [ 0.0000397600000000, -0.0000677600000000, 0.0000119800000000 ] - [ 0.0015499200000000, -0.0002974600000000, 0.0000309600000000 ] - [ 0.0002461300000000, 0.0002318400000000, 0.0006301400000000 ] - [ 0.0003289400000000, 0.0001205400000000, 0.0000140400000000 ] - [ 0.0003511600000000, -0.0000425000000000, 0.0000510000000000 ] - [ 0.0003294400000000, -0.0000228700000000, 0.0000842600000000 ] - [ 0.0002820900000000, -0.0001502300000000, -0.0000246900000000 ] - [ 0.0002599600000000, -0.0001858600000000, -0.0001132500000000 ] - [ -0.0012640800000000, -0.0026766400000000, 0.0020143300000000 ] - [ -0.0004055400000000, -0.0000900200000000, -0.0000300300000000 ] - [ -0.0005164500000000, -0.0000034600000000, 0.0002546900000000 ] - [ -0.0000884200000000, -0.0001334900000000, 0.0001626500000000 ] - [ -0.0002382500000000, -0.0000518100000000, -0.0002972900000000 ] - [ -0.0003985900000000, 0.0000872500000000, -0.0000328800000000 ] - [ -0.0004031600000000, 0.0001282800000000, 0.0001839300000000 ] - [ -0.0003865500000000, 0.0000373000000000, 0.0002161400000000 ] - [ 0.0007452700000000, 0.0000022400000000, -0.0016732000000000 ] - [ -0.0001324400000000, 0.0000838100000000, -0.0002013300000000 ] - [ 0.0009596700000000, -0.0000661900000000, -0.0002626500000000 ] - [ -0.0011327400000000, -0.0001214700000000, 0.0008299600000000 ] - [ -0.0008460900000000, -0.0002729500000000, 0.0008290100000000 ] - [ 0.0004562800000000, -0.0002219100000000, 0.0000954200000000 ] - [ 0.0001132700000000, -0.0000620400000000, -0.0001793200000000 ] - [ 0.0000008500000000, 0.0001058400000000, -0.0006881000000000 ] - [ 0.0008521300000000, 0.0004351200000000, 0.0004655300000000 ] - [ 0.0000468100000000, -0.0009012000000000, 0.0012329300000000 ] - [ 0.0000900700000000, -0.0001159100000000, -0.0004865200000000 ] - [ 0.0000662100000000, 0.0000078200000000, -0.0003434900000000 ] - [ 0.0001412300000000, 0.0000582700000000, -0.0000409600000000 ] - [ -0.0001270400000000, -0.0000807200000000, -0.0001800000000000 ] - [ -0.0003414000000000, 0.0002450800000000, 0.0002311500000000 ] - [ 0.0003123800000000, 0.0000802600000000, -0.0000244500000000 ] - [ 0.0033123900000000, 0.0023492500000000, -0.0068985100000000 ] - [ 0.0005094600000000, 0.0002523000000000, 0.0003429500000000 ] - [ 0.0000887600000000, 0.0003680400000000, -0.0002512500000000 ] - [ -0.0004000300000000, 0.0002088400000000, -0.0006850400000000 ] - [ 0.0001632200000000, -0.0004889100000000, -0.0002688200000000 ] - [ -0.0005134600000000, -0.0005037300000000, -0.0001108300000000 ] - [ 0.0003244200000000, 0.0005364200000000, -0.0002709100000000 ] - [ -0.0000388700000000, -0.0005179900000000, 0.0004671500000000 ] - [ 0.0004011200000000, -0.0003048800000000, -0.0002087000000000 ] - [ -0.0004603500000000, -0.0000752300000000, -0.0005571300000000 ] - [ -0.0001490900000000, -0.0032344800000000, -0.0016301500000000 ] - [ 0.0002699000000000, -0.0004111800000000, 0.0000222400000000 ] - [ 0.0000563800000000, 0.0003484600000000, 0.0003137000000000 ] - [ 0.0002307100000000, 0.0003664800000000, 0.0002406500000000 ] - [ 0.0002307400000000, 0.0004416300000000, -0.0003480500000000 ] - [ -0.0000625200000000, 0.0004539600000000, -0.0003704800000000 ] - [ 0.0006167900000000, 0.0006143600000000, -0.0007040900000000 ] - [ 0.0001017000000000, 0.0006722300000000, -0.0011398700000000 ] - [ -0.2299740900000000, -0.0422798900000000, 0.2717600100000000 ] - [ 0.0009129300000000, 0.0007538300000000, 0.0000328500000000 ] - [ 0.0007837400000000, -0.0015504800000000, -0.0005594100000000 ] - [ 0.0004884200000000, -0.0004137600000000, 0.0002860600000000 ] - [ 0.0006668000000000, -0.0005720400000000, -0.0008266000000000 ] - [ -0.0003559200000000, -0.0005033700000000, -0.0007827500000000 ] - [ -0.0015991700000000, 0.0016110600000000, 0.0033717600000000 ] - [ 0.0000749500000000, -0.0007149000000000, 0.0006377900000000 ] - [ -0.0002009100000000, -0.0006976200000000, 0.0000943400000000 ] - [ -0.0004880000000000, -0.0006541100000000, -0.0002503900000000 ] - [ -0.0001733700000000, 0.0007516500000000, 0.0003979300000000 ] - [ -0.0005906900000000, 0.0006343700000000, 0.0005062400000000 ] - [ -0.0001687200000000, 0.0008061500000000, -0.0000751100000000 ] - [ -0.0003392800000000, 0.0006318600000000, 0.0004177900000000 ] - [ 0.0009265400000000, 0.0003802400000000, -0.0006737600000000 ] - [ -0.0014918100000000, 0.0004402700000000, -0.0003756700000000 ] - [ 0.0007897900000000, 0.0004446400000000, -0.0019685000000000 ] - [ 0.0000439300000000, 0.0004409700000000, -0.0006993800000000 ] - [ -0.0007498500000000, -0.0006459500000000, 0.0007145100000000 ] - [ 0.0007025600000000, -0.0001750700000000, -0.0003641600000000 ] - [ 0.0001181600000000, -0.0004463100000000, -0.0006592300000000 ] - [ -0.0000863100000000, -0.0005823100000000, -0.0011759800000000 ] - [ 0.0010271100000000, 0.0018411700000000, -0.0002836500000000 ] - [ 0.0004009700000000, -0.0005022300000000, 0.0008388200000000 ] - [ 0.0001948400000000, -0.0005331600000000, 0.0001932900000000 ] - [ -0.0004594000000000, -0.0004258600000000, 0.0003187600000000 ] - [ 0.0001602100000000, 0.0004457500000000, 0.0002906300000000 ] - [ -0.0001477100000000, 0.0004955400000000, 0.0000392200000000 ] - [ -0.0002969100000000, 0.0004136900000000, 0.0010169800000000 ] - [ 0.0001796500000000, 0.0004841800000000, 0.0007119500000000 ]- atom: 33 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ 0.0005953800000000, -0.0000031500000000, -0.0001168800000000 ] - [ -0.0017257300000000, -0.0026782600000000, -0.0030515300000000 ] - [ -0.0031520400000000, 0.0037116100000000, -0.0045140400000000 ] - [ 0.0007314100000000, 0.0002584900000000, -0.0003029500000000 ] - [ 0.0036931300000000, -0.0018123500000000, 0.0023446800000000 ] - [ 0.0047457400000000, 0.0021796400000000, 0.0042844200000000 ] - [ 0.0000937700000000, -0.0000451200000000, -0.0011825400000000 ] - [ 0.0000554700000000, -0.0003624500000000, -0.0011979000000000 ] - [ -0.0013140200000000, 0.0008649800000000, 0.0008022600000000 ] - [ 0.0007454000000000, 0.0000357700000000, 0.0003151700000000 ] - [ 0.0003399300000000, -0.0000743600000000, -0.0001184200000000 ] - [ -0.0005041900000000, -0.0004093400000000, -0.0009472400000000 ] - [ 0.0003781200000000, 0.0006703600000000, -0.0008672200000000 ] - [ -0.0001868400000000, 0.0001464200000000, -0.0001655400000000 ] - [ 0.0009836700000000, -0.0005933000000000, 0.0005149100000000 ] - [ -0.0001676700000000, 0.0002317200000000, 0.0011726100000000 ] - [ -0.0002275800000000, -0.0000125300000000, 0.0001335100000000 ] - [ -0.0004845100000000, -0.0000843500000000, -0.0000297300000000 ] - [ 0.0100060000000000, 0.0010008300000000, -0.0129608300000000 ] - [ -0.0003112300000000, 0.0000576400000000, 0.0003971900000000 ] - [ -0.0004910000000000, -0.0003525700000000, 0.0005845200000000 ] - [ -0.0003068700000000, -0.0000103900000000, 0.0003243600000000 ] - [ -0.0002974500000000, 0.0001249800000000, 0.0000949000000000 ] - [ -0.0003719800000000, 0.0001334600000000, 0.0000582000000000 ] - [ -0.0000573500000000, 0.0048005400000000, 0.0032036700000000 ] - [ 0.0004960400000000, -0.0000499800000000, -0.0001443700000000 ] - [ 0.0003941400000000, -0.0001305100000000, -0.0003627400000000 ] - [ 0.0002721500000000, -0.0002395700000000, -0.0005747400000000 ] - [ 0.0004053400000000, 0.0000115700000000, -0.0002859000000000 ] - [ 0.0003128700000000, -0.0000037800000000, -0.0002216100000000 ] - [ 0.0003013800000000, 0.0004526300000000, -0.0005314200000000 ] - [ 0.0003414700000000, -0.0000461500000000, -0.0001845400000000 ] - [ -0.2229559000000000, -0.0443787400000000, 0.2552373800000000 ] - [ 0.0003048300000000, -0.0004327100000000, -0.0002588100000000 ] - [ 0.0002220400000000, -0.0003928100000000, -0.0005509100000000 ] - [ 0.0001707700000000, -0.0003804700000000, -0.0007287900000000 ] - [ 0.0003655800000000, 0.0004122500000000, -0.0006880300000000 ] - [ -0.0001547800000000, 0.0003807800000000, -0.0000764800000000 ] - [ 0.0003572400000000, 0.0004222500000000, -0.0006988000000000 ] - [ -0.0001541800000000, 0.0004487600000000, -0.0000767900000000 ] - [ 0.0001205400000000, 0.0004408900000000, 0.0000212500000000 ] - [ 0.0000476700000000, 0.0004796500000000, -0.0001016500000000 ] - [ -0.0014012500000000, -0.0007686800000000, 0.0016388200000000 ] - [ 0.0001379200000000, 0.0003984600000000, 0.0003125600000000 ] - [ 0.0000002200000000, -0.0003310700000000, 0.0003354300000000 ] - [ -0.0001682600000000, -0.0004528100000000, 0.0004599100000000 ] - [ 0.0001691600000000, -0.0004209900000000, -0.0000423200000000 ] - [ -0.0000509800000000, -0.0004145200000000, 0.0001882200000000 ] - [ 0.0003228700000000, -0.0005792900000000, -0.0003513600000000 ] - [ -0.0004643700000000, -0.0004037200000000, -0.0004107200000000 ] - [ 0.0005976100000000, -0.0005660700000000, -0.0006529000000000 ] - [ -0.0003367900000000, -0.0004233200000000, -0.0003333700000000 ] - [ -0.0008443800000000, -0.0000424900000000, 0.0006855700000000 ] - [ 0.0001702200000000, 0.0005463100000000, 0.0001595800000000 ] - [ -0.0001967200000000, 0.0004786400000000, -0.0002330300000000 ] - [ -0.0006366300000000, 0.0004219400000000, -0.0005851500000000 ] - [ 0.0011657700000000, 0.0008597500000000, 0.0005988900000000 ] - [ 0.0007487600000000, 0.0004108300000000, 0.0005972100000000 ] - [ 0.0002586100000000, 0.0004880500000000, 0.0000228000000000 ] - [ 0.0000569900000000, 0.0005140800000000, -0.0000214300000000 ] - [ 0.0003306400000000, -0.0004704800000000, 0.0001704700000000 ] - [ -0.0000098000000000, -0.0004794700000000, -0.0000820300000000 ] - [ 0.0001083100000000, -0.0005438700000000, 0.0003420700000000 ] - [ 0.0004636200000000, -0.0004548000000000, 0.0003522800000000 ] - [ 0.0006970800000000, 0.0002248000000000, -0.0001077000000000 ] - [ -0.0008502500000000, 0.0004587100000000, -0.0001269700000000 ] - [ 0.0004838800000000, -0.0000859900000000, -0.0007406600000000 ] - [ 0.0004005000000000, 0.0000315300000000, -0.0001102000000000 ] - [ 0.0003780400000000, -0.0001119400000000, -0.0001478800000000 ] - [ 0.0004001800000000, -0.0001322900000000, -0.0001818400000000 ] - [ 0.0004474900000000, 0.0000012000000000, -0.0000717500000000 ] - [ 0.0004718900000000, 0.0000351000000000, 0.0000209600000000 ] - [ 0.0005582200000000, 0.0025894500000000, -0.0019743800000000 ] - [ -0.0003223000000000, -0.0000641500000000, 0.0001260900000000 ] - [ -0.0002085000000000, -0.0001526700000000, -0.0001660900000000 ] - [ -0.0006454300000000, -0.0000198400000000, -0.0000716100000000 ] - [ -0.0004934100000000, 0.0002104800000000, 0.0003996700000000 ] - [ -0.0003297500000000, 0.0000666100000000, 0.0001294100000000 ] - [ -0.0003245200000000, 0.0000239700000000, -0.0000931500000000 ] - [ -0.0003415100000000, 0.0001172200000000, -0.0001260300000000 ] - [ -0.0008038500000000, 0.0001012900000000, 0.0017241200000000 ] - [ 0.0000986700000000, 0.0000172300000000, 0.0002097300000000 ] - [ -0.0010252300000000, 0.0001728000000000, 0.0002715600000000 ] - [ 0.0011213800000000, 0.0002292800000000, -0.0008438000000000 ] - [ 0.0008269000000000, 0.0001707100000000, -0.0008520000000000 ] - [ -0.0005039400000000, 0.0001244500000000, -0.0000953600000000 ] - [ -0.0001532300000000, -0.0000393200000000, 0.0001872300000000 ] - [ -0.0000370100000000, -0.0002117800000000, 0.0007087600000000 ] - [ -0.0008376900000000, -0.0005487300000000, -0.0004818200000000 ] - [ -0.0000024600000000, 0.0008102400000000, -0.0012573600000000 ] - [ -0.0000547400000000, 0.0000169900000000, 0.0004954200000000 ] - [ -0.0000311500000000, -0.0001107100000000, 0.0003498600000000 ] - [ -0.0001080700000000, 0.0000427900000000, 0.0000389700000000 ] - [ 0.0001674400000000, 0.0001848000000000, 0.0001810100000000 ] - [ 0.0003859900000000, -0.0001506700000000, -0.0002383500000000 ] - [ -0.0002831500000000, 0.0000197800000000, 0.0000219600000000 ] - [ -0.0037283300000000, -0.0016702700000000, 0.0074093400000000 ] - [ -0.0007218400000000, 0.0005297200000000, -0.0002428100000000 ] - [ -0.0002916700000000, 0.0004122400000000, 0.0003674900000000 ] - [ 0.0002092000000000, 0.0005756700000000, 0.0008123500000000 ] - [ -0.0003677000000000, -0.0002877800000000, 0.0003847300000000 ] - [ 0.0003253400000000, -0.0002729600000000, 0.0002227700000000 ] - [ -0.0005356300000000, -0.0013431000000000, 0.0003886000000000 ] - [ -0.0001596800000000, -0.0002583500000000, -0.0003688400000000 ] - [ -0.0002102800000000, -0.0004764100000000, 0.0001047500000000 ] - [ 0.0006734600000000, -0.0007126100000000, 0.0004626900000000 ] - [ 0.0003599200000000, 0.0025166800000000, 0.0015443600000000 ] - [ -0.0000758000000000, -0.0003672900000000, -0.0001317100000000 ] - [ 0.0001440300000000, 0.0004293400000000, -0.0004333500000000 ] - [ -0.0000358400000000, 0.0004119600000000, -0.0003561200000000 ] - [ -0.0000359700000000, 0.0003359700000000, 0.0002481100000000 ] - [ 0.0002644200000000, 0.0003234700000000, 0.0002713400000000 ] - [ 0.0000776600000000, 0.0007014500000000, -0.0000599000000000 ] - [ 0.0006063200000000, 0.0006424300000000, 0.0003868000000000 ] - [ 0.2128382400000000, 0.0381572700000000, -0.2510461300000000 ] - [ -0.0002273600000000, 0.0005532800000000, -0.0008153500000000 ] - [ -0.0000921600000000, 0.0002593700000000, -0.0002110200000000 ] - [ 0.0002085900000000, -0.0009060600000000, -0.0010741600000000 ] - [ 0.0000234400000000, -0.0007401000000000, 0.0000680700000000 ] - [ 0.0010722800000000, -0.0008105800000000, 0.0000226700000000 ] - [ 0.0009286500000000, -0.0029773600000000, -0.0026770200000000 ] - [ -0.0007869500000000, -0.0005998700000000, 0.0001278700000000 ] - [ -0.0005019300000000, -0.0006108200000000, 0.0006846900000000 ] - [ -0.0002084000000000, -0.0006569600000000, 0.0010387300000000 ] - [ -0.0005299700000000, 0.0005561100000000, 0.0003721900000000 ] - [ -0.0001045800000000, 0.0006765400000000, 0.0002623300000000 ] - [ -0.0005375200000000, 0.0005028400000000, 0.0008601400000000 ] - [ -0.0003630700000000, 0.0006844500000000, 0.0003549700000000 ] - [ -0.0009129700000000, 0.0005027100000000, -0.0002788300000000 ] - [ 0.0015653900000000, 0.0004410900000000, -0.0005827400000000 ] - [ -0.0007729200000000, 0.0004374000000000, 0.0010592200000000 ] - [ -0.0000050800000000, 0.0004388000000000, -0.0002489500000000 ] - [ 0.0008136400000000, -0.0002417400000000, -0.0016969800000000 ] - [ -0.0006815000000000, -0.0007115100000000, -0.0005957300000000 ] - [ -0.0000836700000000, -0.0004340500000000, -0.0002915900000000 ] - [ 0.0001268900000000, -0.0002935500000000, 0.0002382200000000 ] - [ -0.0010919700000000, -0.0027775400000000, 0.0012593400000000 ] - [ -0.0004452600000000, -0.0003765600000000, 0.0001107200000000 ] - [ -0.0002368600000000, -0.0003443100000000, 0.0007696500000000 ] - [ 0.0004313100000000, -0.0004537200000000, 0.0006414900000000 ] - [ -0.0002020100000000, 0.0004340600000000, 0.0006699200000000 ] - [ 0.0001138100000000, 0.0003830200000000, 0.0009272900000000 ] - [ 0.0002659500000000, 0.0004634400000000, -0.0000746800000000 ] - [ -0.0002213900000000, 0.0003940000000000, 0.0002371400000000 ]- atom: 49 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ 0.0050770800000000, -0.0030633600000000, -0.0010389500000000 ] - [ 0.0023768400000000, 0.0023341900000000, -0.0012649800000000 ] - [ -0.0000323800000000, 0.0002851000000000, 0.0003141200000000 ] - [ 0.0000154700000000, 0.0000182600000000, 0.0001726700000000 ] - [ -0.0032080300000000, -0.0008559600000000, 0.0015953000000000 ] - [ 0.0007937400000000, -0.0001180000000000, -0.0000669700000000 ] - [ 0.0007974600000000, -0.0000250300000000, -0.0001234100000000 ] - [ -0.0025986500000000, 0.0015511200000000, 0.0016811600000000 ] - [ 0.0002477500000000, -0.0003688700000000, -0.0002995200000000 ] - [ 0.0002817500000000, 0.0002287300000000, 0.0004250200000000 ] - [ -0.0002226800000000, -0.0001267100000000, 0.0001536900000000 ] - [ 0.0002810600000000, -0.0003416700000000, 0.0005976800000000 ] - [ -0.0020370100000000, -0.0024770200000000, -0.0000729400000000 ] - [ 0.0009277900000000, 0.0000926100000000, 0.0000320000000000 ] - [ 0.0003581500000000, 0.0000995600000000, 0.0002978600000000 ] - [ -0.0004461300000000, 0.0002102900000000, 0.0006394000000000 ] - [ 0.0000564000000000, 0.0009203300000000, -0.0014507900000000 ] - [ 0.0001629400000000, -0.0001929000000000, 0.0002018400000000 ] - [ -0.0003346300000000, -0.0000196600000000, 0.0002406500000000 ] - [ -0.0003730800000000, 0.0002309900000000, 0.0004619300000000 ] - [ -0.0002906900000000, 0.0000615800000000, 0.0000288900000000 ] - [ -0.0002919700000000, -0.0001027700000000, 0.0002940200000000 ] - [ -0.0003244600000000, -0.0000236200000000, 0.0002377300000000 ] - [ -0.0003708000000000, -0.0000439400000000, 0.0003166200000000 ] - [ 0.0002669600000000, -0.0003486200000000, -0.0004972700000000 ] - [ 0.0004128700000000, 0.0002694300000000, -0.0000089700000000 ] - [ 0.0003675200000000, -0.0000799600000000, -0.0003283400000000 ] - [ 0.0007789200000000, -0.0001749500000000, 0.0005772400000000 ] - [ 0.0002934400000000, -0.0001194800000000, -0.0002076000000000 ] - [ 0.0004146900000000, 0.0000869400000000, -0.0002900900000000 ] - [ 0.0003747600000000, 0.0000128600000000, -0.0002024200000000 ] - [ 0.0003127300000000, -0.0001136700000000, -0.0001181300000000 ] - [ 0.0003397300000000, -0.0003300800000000, -0.0007410300000000 ] - [ 0.0001299000000000, -0.0004074500000000, 0.0001207700000000 ] - [ 0.0006403400000000, -0.0004143800000000, -0.0008364200000000 ] - [ 0.0004926200000000, -0.0003607800000000, 0.0002938100000000 ] - [ -0.0007794800000000, 0.0007309200000000, -0.0002137000000000 ] - [ 0.0003369300000000, 0.0003978400000000, -0.0005340100000000 ] - [ 0.0001021400000000, 0.0004191000000000, -0.0002643900000000 ] - [ -0.0001848700000000, 0.0004490600000000, 0.0000558000000000 ] - [ 0.0004248700000000, 0.0004391800000000, -0.0005483500000000 ] - [ 0.0005687300000000, 0.0001327300000000, 0.0001529600000000 ] - [ -0.0000192200000000, 0.0004168600000000, 0.0002551900000000 ] - [ -0.0000970100000000, 0.0004060200000000, 0.0004527300000000 ] - [ -0.0002144400000000, -0.0004492400000000, 0.0002791900000000 ] - [ 0.0001255500000000, -0.0004187100000000, 0.0001190400000000 ] - [ 0.0000428200000000, -0.0004203000000000, 0.0002171500000000 ] - [ -0.0001878500000000, -0.0004170500000000, 0.0004578300000000 ] - [ -0.2117492200000000, 0.0156438700000000, -0.1719747100000000 ] - [ 0.0001504800000000, -0.0005191800000000, -0.0000018400000000 ] - [ -0.0000627800000000, -0.0005168700000000, -0.0000524100000000 ] - [ -0.0002315700000000, -0.0004751000000000, -0.0000319900000000 ] - [ -0.0003566300000000, 0.0005554400000000, -0.0003481000000000 ] - [ 0.0000472300000000, 0.0004853200000000, 0.0000818900000000 ] - [ -0.0003571600000000, 0.0003962200000000, -0.0003472600000000 ] - [ 0.0000477000000000, 0.0005258700000000, 0.0000501900000000 ] - [ -0.0007515900000000, 0.0005812000000000, -0.0006302600000000 ] - [ 0.0005144200000000, 0.0004718400000000, 0.0003014000000000 ] - [ 0.0004304100000000, 0.0004497500000000, 0.0002843200000000 ] - [ 0.0002239100000000, 0.0004395000000000, 0.0003056500000000 ] - [ 0.0001339100000000, -0.0003397400000000, -0.0000252500000000 ] - [ 0.0003311600000000, -0.0005468700000000, 0.0002046300000000 ] - [ 0.0002522700000000, -0.0004921500000000, 0.0001871200000000 ] - [ 0.0003441600000000, -0.0004764800000000, 0.0002978000000000 ] - [ 0.0121023400000000, -0.0002531200000000, 0.0114098000000000 ] - [ 0.0005587800000000, 0.0001366200000000, -0.0002058900000000 ] - [ 0.0004852400000000, 0.0000555000000000, 0.0000165600000000 ] - [ 0.0002485200000000, 0.0000829700000000, 0.0000736600000000 ] - [ 0.0004827800000000, -0.0001222800000000, -0.0001165000000000 ] - [ 0.0001128400000000, 0.0000460200000000, -0.0001431800000000 ] - [ 0.0003165800000000, -0.0001295500000000, -0.0000067900000000 ] - [ 0.0004350800000000, -0.0001353800000000, -0.0000028200000000 ] - [ 0.0001773900000000, -0.0010336500000000, -0.0012046600000000 ] - [ -0.0001192900000000, 0.0000338000000000, -0.0000321200000000 ] - [ -0.0003238900000000, -0.0000041300000000, 0.0000295600000000 ] - [ -0.0004759700000000, -0.0001834500000000, 0.0002931200000000 ] - [ -0.0002988900000000, 0.0001015300000000, 0.0000128700000000 ] - [ -0.0004909800000000, 0.0000009900000000, 0.0001991600000000 ] - [ -0.0003542900000000, -0.0000414700000000, -0.0000499100000000 ] - [ -0.0002960300000000, 0.0000641500000000, 0.0000367200000000 ] - [ -0.0025601500000000, 0.0031320000000000, -0.0064113800000000 ] - [ -0.0006376300000000, -0.0000663400000000, 0.0001687700000000 ] - [ -0.0002078600000000, 0.0000492000000000, -0.0000924800000000 ] - [ 0.0002813700000000, -0.0000984900000000, -0.0004537700000000 ] - [ -0.0001856600000000, -0.0001546100000000, 0.0003585200000000 ] - [ -0.0001805000000000, 0.0006715000000000, -0.0004006900000000 ] - [ 0.0002534000000000, -0.0001647900000000, 0.0000066800000000 ] - [ -0.0002280200000000, -0.0001246100000000, -0.0001483100000000 ] - [ 0.0008838400000000, -0.0011503500000000, -0.0006424500000000 ] - [ -0.0002975800000000, -0.0000544000000000, 0.0000511300000000 ] - [ -0.0002820200000000, -0.0000056600000000, -0.0000411700000000 ] - [ 0.0006323200000000, 0.0002534700000000, -0.0004079800000000 ] - [ -0.0001599200000000, 0.0001874200000000, 0.0002034000000000 ] - [ 0.0000215600000000, 0.0000152500000000, 0.0000798000000000 ] - [ 0.0001051000000000, 0.0000347200000000, -0.0001329900000000 ] - [ -0.0000553300000000, 0.0000768100000000, -0.0001184600000000 ] - [ -0.0001816500000000, 0.0003887300000000, 0.0012317800000000 ] - [ -0.0006795300000000, 0.0002110000000000, -0.0002739600000000 ] - [ -0.0003712200000000, 0.0003776100000000, 0.0004474100000000 ] - [ -0.0003559000000000, 0.0002149600000000, -0.0009231900000000 ] - [ 0.0008997000000000, 0.0000987400000000, 0.0006591800000000 ] - [ -0.0005865500000000, -0.0004908700000000, 0.0001099900000000 ] - [ -0.0002323500000000, -0.0003795200000000, 0.0000067500000000 ] - [ -0.0000154800000000, -0.0002298100000000, -0.0003715000000000 ] - [ -0.0000438000000000, -0.0021187000000000, 0.0011560400000000 ] - [ -0.0005886200000000, -0.0000544400000000, 0.0002021100000000 ] - [ 0.0000009900000000, -0.0003538000000000, -0.0001314700000000 ] - [ 0.0001686600000000, -0.0004616800000000, -0.0003419700000000 ] - [ 0.0003488900000000, 0.0003114700000000, 0.0000807100000000 ] - [ -0.0001536300000000, 0.0004438600000000, -0.0000847200000000 ] - [ -0.0000114700000000, 0.0004120300000000, 0.0000115600000000 ] - [ 0.0002409800000000, 0.0004589200000000, -0.0002559500000000 ] - [ -0.0000114200000000, 0.0005925300000000, 0.0017564800000000 ] - [ -0.0008111600000000, 0.0005662800000000, -0.0008355100000000 ] - [ 0.0000314400000000, 0.0005986900000000, -0.0000969100000000 ] - [ 0.0002580900000000, 0.0005559800000000, -0.0009709800000000 ] - [ 0.0010294600000000, -0.0011263800000000, 0.0003458400000000 ] - [ -0.0002552500000000, -0.0005183500000000, -0.0004702400000000 ] - [ 0.0002111000000000, -0.0006577500000000, -0.0004250400000000 ] - [ 0.0004514200000000, -0.0007859300000000, -0.0008211700000000 ] - [ -0.0002391200000000, -0.0004409000000000, 0.0006005100000000 ] - [ -0.0004489700000000, -0.0008459000000000, 0.0000439900000000 ] - [ -0.0007233900000000, -0.0007062200000000, 0.0009975900000000 ] - [ -0.0011523100000000, 0.0002391600000000, -0.0003749300000000 ] - [ 0.0000934100000000, 0.0008070500000000, 0.0005609700000000 ] - [ -0.0006190300000000, 0.0006576000000000, 0.0005016700000000 ] - [ -0.0005136600000000, 0.0006648600000000, 0.0003227400000000 ] - [ -0.0002034300000000, 0.0007422600000000, 0.0001213200000000 ] - [ 0.2005322400000000, -0.0149030600000000, 0.1642388900000000 ] - [ -0.0006007700000000, 0.0004502300000000, -0.0003557700000000 ] - [ -0.0002443000000000, 0.0004393500000000, -0.0006158100000000 ] - [ 0.0002478100000000, 0.0004709300000000, -0.0008690500000000 ] - [ 0.0005354000000000, -0.0003076700000000, -0.0005103600000000 ] - [ -0.0002844600000000, -0.0003995000000000, -0.0007266900000000 ] - [ -0.0002216300000000, -0.0003176600000000, -0.0000465500000000 ] - [ -0.0000439600000000, -0.0009996300000000, -0.0007639400000000 ] - [ 0.0003609300000000, 0.0004432500000000, 0.0017832200000000 ] - [ -0.0004794500000000, -0.0005447200000000, 0.0004787100000000 ] - [ -0.0001815300000000, -0.0004827800000000, 0.0004072400000000 ] - [ 0.0001190500000000, -0.0003243800000000, 0.0001392200000000 ] - [ 0.0003421800000000, 0.0004973100000000, 0.0006732300000000 ] - [ -0.0002317500000000, 0.0005063600000000, 0.0004589900000000 ] - [ -0.0001311400000000, 0.0004285100000000, 0.0005379500000000 ] - [ 0.0000468300000000, 0.0004901800000000, 0.0001982800000000 ]- atom: 49 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ -0.0051389000000000, 0.0032578000000000, 0.0007894100000000 ] - [ -0.0024476100000000, -0.0021916200000000, 0.0009856000000000 ] - [ -0.0000069500000000, -0.0001067800000000, -0.0006350200000000 ] - [ -0.0000564400000000, 0.0001641500000000, -0.0004930500000000 ] - [ 0.0032207700000000, 0.0007051300000000, -0.0020218800000000 ] - [ -0.0008488600000000, -0.0000608900000000, -0.0002443800000000 ] - [ -0.0008475000000000, -0.0001595800000000, -0.0001860500000000 ] - [ 0.0025939200000000, -0.0017714900000000, -0.0020299200000000 ] - [ -0.0002089700000000, 0.0001908500000000, 0.0006176500000000 ] - [ -0.0002481600000000, -0.0004132000000000, -0.0001092400000000 ] - [ 0.0002667900000000, -0.0000524900000000, 0.0001499200000000 ] - [ -0.0002462500000000, 0.0001649100000000, -0.0002988100000000 ] - [ 0.0021036000000000, 0.0027095400000000, 0.0003909900000000 ] - [ -0.0008983600000000, 0.0000909000000000, 0.0002803000000000 ] - [ -0.0003238600000000, 0.0000815900000000, 0.0000056000000000 ] - [ 0.0004936800000000, -0.0000316300000000, -0.0003456700000000 ] - [ -0.0007491000000000, -0.0008570000000000, 0.0019326600000000 ] - [ -0.0008731700000000, 0.0002487700000000, 0.0002829100000000 ] - [ -0.0003671100000000, 0.0000712500000000, 0.0002416900000000 ] - [ -0.0003285400000000, -0.0001830700000000, 0.0000164000000000 ] - [ -0.0004137400000000, -0.0001092400000000, 0.0004509500000000 ] - [ -0.0004110400000000, 0.0000519600000000, 0.0001890100000000 ] - [ -0.0003777700000000, -0.0000288800000000, 0.0002456700000000 ] - [ -0.0003309200000000, -0.0000082500000000, 0.0001654300000000 ] - [ 0.0004365100000000, 0.0002993600000000, 0.0000159200000000 ] - [ 0.0002881300000000, -0.0003289300000000, -0.0004802800000000 ] - [ 0.0003351100000000, 0.0000280100000000, -0.0001548900000000 ] - [ -0.0000860100000000, 0.0001246700000000, -0.0010767400000000 ] - [ 0.0004093300000000, 0.0001746100000000, -0.0002750000000000 ] - [ 0.0002863100000000, -0.0000359000000000, -0.0001920900000000 ] - [ 0.0003266200000000, 0.0000385400000000, -0.0002817500000000 ] - [ 0.0003894800000000, 0.0001679200000000, -0.0003681000000000 ] - [ -0.0002639200000000, -0.0005063900000000, 0.0002253300000000 ] - [ -0.0000509200000000, -0.0004279100000000, -0.0006511600000000 ] - [ -0.0005565600000000, -0.0004209400000000, 0.0003138700000000 ] - [ -0.0004230600000000, -0.0004762700000000, -0.0008212500000000 ] - [ 0.0008695800000000, 0.0001247800000000, -0.0002934300000000 ] - [ -0.0002633000000000, 0.0004381900000000, 0.0000204200000000 ] - [ -0.0000233600000000, 0.0004164600000000, -0.0002565500000000 ] - [ 0.0002685600000000, 0.0003858300000000, -0.0005825600000000 ] - [ -0.0005064500000000, 0.0003967700000000, 0.0010737700000000 ] - [ -0.0006601400000000, 0.0007077000000000, 0.0003706000000000 ] - [ -0.0000584200000000, 0.0004189500000000, 0.0002618900000000 ] - [ 0.0000209800000000, 0.0004306000000000, 0.0000598700000000 ] - [ 0.0001367600000000, -0.0003856200000000, 0.0002425900000000 ] - [ -0.0002069300000000, -0.0004169200000000, 0.0004033300000000 ] - [ -0.0001211500000000, -0.0004158700000000, 0.0003005600000000 ] - [ 0.0001127200000000, -0.0004189500000000, 0.0000561400000000 ] - [ 0.2026254000000000, -0.0144614200000000, 0.1592970300000000 ] - [ -0.0006407900000000, -0.0004420000000000, -0.0003494100000000 ] - [ -0.0004267600000000, -0.0004434700000000, -0.0003021500000000 ] - [ -0.0002564200000000, -0.0004858600000000, -0.0003238600000000 ] - [ -0.0001261800000000, 0.0004052800000000, -0.0000010200000000 ] - [ -0.0005395700000000, 0.0004760800000000, -0.0004389300000000 ] - [ -0.0001266600000000, 0.0005646400000000, -0.0000023900000000 ] - [ -0.0005388800000000, 0.0004342800000000, -0.0004053800000000 ] - [ 0.0012572700000000, 0.0003733600000000, 0.0009956900000000 ] - [ -0.0000319500000000, 0.0004885900000000, 0.0000494700000000 ] - [ 0.0000531600000000, 0.0005120200000000, 0.0000648100000000 ] - [ 0.0002599000000000, 0.0005230000000000, 0.0000409700000000 ] - [ 0.0003546000000000, -0.0006212500000000, 0.0003797300000000 ] - [ 0.0001543200000000, -0.0004129500000000, 0.0001471200000000 ] - [ 0.0002336200000000, -0.0004689300000000, 0.0001634400000000 ] - [ 0.0001396100000000, -0.0004847500000000, 0.0000506400000000 ] - [ -0.0113128200000000, 0.0004075300000000, -0.0111387900000000 ] - [ 0.0001673400000000, 0.0000150800000000, 0.0001154000000000 ] - [ 0.0002412500000000, 0.0000983700000000, -0.0001128700000000 ] - [ 0.0004820200000000, 0.0000703900000000, -0.0001720100000000 ] - [ 0.0002442100000000, -0.0000307100000000, 0.0000236600000000 ] - [ 0.0006198400000000, -0.0002015800000000, 0.0000513300000000 ] - [ 0.0004129500000000, -0.0000225900000000, -0.0000893600000000 ] - [ 0.0002919800000000, -0.0000161900000000, -0.0000926400000000 ] - [ -0.0009117900000000, 0.0008949100000000, 0.0013242700000000 ] - [ -0.0006125100000000, -0.0001915600000000, 0.0001318700000000 ] - [ -0.0004048100000000, -0.0001494300000000, 0.0000631300000000 ] - [ -0.0002505700000000, 0.0000316800000000, -0.0002042200000000 ] - [ -0.0004304800000000, 0.0000514600000000, 0.0000816000000000 ] - [ -0.0002355900000000, 0.0001542900000000, -0.0001083000000000 ] - [ -0.0003752200000000, 0.0001982000000000, 0.0001469500000000 ] - [ -0.0004334800000000, 0.0000892800000000, 0.0000579300000000 ] - [ 0.0026518200000000, -0.0031483700000000, 0.0066740200000000 ] - [ 0.0006074900000000, 0.0001698300000000, -0.0001712500000000 ] - [ 0.0001742000000000, 0.0000521100000000, 0.0000996400000000 ] - [ -0.0003233100000000, 0.0002021200000000, 0.0004678400000000 ] - [ 0.0001505700000000, 0.0000540500000000, -0.0003620200000000 ] - [ 0.0001508000000000, -0.0007902200000000, 0.0004087400000000 ] - [ -0.0002949000000000, 0.0000666400000000, -0.0000024000000000 ] - [ 0.0001948000000000, 0.0000246700000000, 0.0001542600000000 ] - [ -0.0008589600000000, 0.0010726800000000, 0.0006521300000000 ] - [ 0.0003390000000000, -0.0000455100000000, -0.0000552400000000 ] - [ 0.0003230900000000, -0.0000968500000000, 0.0000398200000000 ] - [ -0.0006052300000000, -0.0003630600000000, 0.0004165300000000 ] - [ 0.0001982800000000, -0.0000899400000000, -0.0002112100000000 ] - [ 0.0000151900000000, 0.0000852900000000, -0.0000865900000000 ] - [ -0.0000704800000000, 0.0000671100000000, 0.0001338800000000 ] - [ 0.0000930400000000, 0.0000241800000000, 0.0001195200000000 ] - [ -0.0000230500000000, 0.0003918800000000, -0.0011413400000000 ] - [ 0.0005118000000000, 0.0005731800000000, 0.0003953500000000 ] - [ 0.0001715800000000, 0.0004013800000000, -0.0003363800000000 ] - [ 0.0001644700000000, 0.0005676200000000, 0.0010506600000000 ] - [ -0.0011039900000000, -0.0008798600000000, -0.0005677100000000 ] - [ 0.0003953100000000, -0.0002864600000000, -0.0000045100000000 ] - [ 0.0000359300000000, -0.0003998600000000, 0.0001034400000000 ] - [ -0.0001837700000000, -0.0005529200000000, 0.0004897900000000 ] - [ 0.0002329900000000, 0.0013343000000000, -0.0012822500000000 ] - [ 0.0007979900000000, -0.0007302500000000, -0.0003170800000000 ] - [ 0.0001984500000000, -0.0004253800000000, 0.0000270700000000 ] - [ 0.0000284300000000, -0.0003157100000000, 0.0002432700000000 ] - [ -0.0001544300000000, 0.0004650600000000, -0.0001889200000000 ] - [ 0.0003559300000000, 0.0003339500000000, -0.0000232300000000 ] - [ 0.0002103100000000, 0.0003664400000000, -0.0001190500000000 ] - [ -0.0000447300000000, 0.0003183200000000, 0.0001529500000000 ] - [ 0.0006941600000000, 0.0007216700000000, -0.0025282400000000 ] - [ 0.0015311500000000, 0.0007484800000000, 0.0000686700000000 ] - [ 0.0006726900000000, 0.0007149800000000, -0.0006755900000000 ] - [ 0.0004423300000000, 0.0007541400000000, 0.0002151200000000 ] - [ -0.0003472700000000, -0.0002033500000000, -0.0011249200000000 ] - [ 0.0009636400000000, -0.0007974500000000, -0.0003046800000000 ] - [ 0.0004892700000000, -0.0006507700000000, -0.0003434200000000 ] - [ 0.0002463000000000, -0.0005206800000000, 0.0000603200000000 ] - [ -0.0004649800000000, -0.0008741300000000, 0.0001711500000000 ] - [ -0.0002512200000000, -0.0004630400000000, 0.0007370600000000 ] - [ 0.0000257000000000, -0.0006040500000000, -0.0002310700000000 ] - [ 0.0004708100000000, -0.0015655900000000, 0.0011600600000000 ] - [ -0.0007979500000000, 0.0004987800000000, 0.0002025300000000 ] - [ -0.0000772500000000, 0.0006531500000000, 0.0002661900000000 ] - [ -0.0001857600000000, 0.0006499600000000, 0.0004525600000000 ] - [ -0.0005003300000000, 0.0005713300000000, 0.0006583900000000 ] - [ -0.1920849700000000, 0.0137268700000000, -0.1534415500000000 ] - [ 0.0006459600000000, 0.0004307500000000, -0.0006053800000000 ] - [ 0.0002859700000000, 0.0004414700000000, -0.0003359100000000 ] - [ -0.0002133800000000, 0.0004093700000000, -0.0000763900000000 ] - [ -0.0005075800000000, -0.0005759200000000, -0.0004417500000000 ] - [ 0.0003273700000000, -0.0004836200000000, -0.0002229600000000 ] - [ 0.0002610000000000, -0.0005632800000000, -0.0009177700000000 ] - [ 0.0000834100000000, 0.0001295800000000, -0.0001888600000000 ] - [ -0.0004073300000000, -0.0013356000000000, -0.0008544000000000 ] - [ 0.0004479900000000, -0.0003327000000000, 0.0004726700000000 ] - [ 0.0001459800000000, -0.0003982800000000, 0.0005520900000000 ] - [ -0.0001572600000000, -0.0005587000000000, 0.0008257300000000 ] - [ -0.0003844700000000, 0.0003787400000000, 0.0002797700000000 ] - [ 0.0001972700000000, 0.0003729000000000, 0.0004963300000000 ] - [ 0.0000954900000000, 0.0004521300000000, 0.0004174600000000 ] - [ -0.0000837300000000, 0.0003891900000000, 0.0007627100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020665800000000, 0.0003394500000000, -0.0008849200000000 ] - [ 0.0004523500000000, -0.0007953600000000, 0.0006206900000000 ] - [ -0.0000095100000000, -0.0000068800000000, -0.0002928400000000 ] - [ -0.0000520300000000, 0.0000517100000000, -0.0001792900000000 ] - [ -0.0003386600000000, -0.0004073700000000, -0.0016704700000000 ] - [ -0.0001639400000000, -0.0001021200000000, -0.0001826200000000 ] - [ -0.0001901800000000, -0.0001751100000000, -0.0001999600000000 ] - [ 0.0008036700000000, -0.0010894200000000, -0.0000309400000000 ] - [ -0.0000080900000000, 0.0001377300000000, 0.0002755000000000 ] - [ -0.0000087400000000, 0.0001135800000000, 0.0003050600000000 ] - [ 0.0000033100000000, 0.0000699300000000, 0.0001528200000000 ] - [ 0.0000089300000000, 0.0000150200000000, 0.0000783800000000 ] - [ -0.0000307300000000, 0.0014878900000000, -0.0002698200000000 ] - [ 0.0000108500000000, 0.0002032900000000, 0.0001551700000000 ] - [ -0.0000200000000000, 0.0001026100000000, 0.0001323000000000 ] - [ 0.0000152800000000, 0.0001902500000000, 0.0000682900000000 ] - [ 0.0000805200000000, -0.0004123100000000, -0.0000908300000000 ] - [ -0.0005158100000000, 0.0001327400000000, 0.0002653800000000 ] - [ -0.0003507000000000, 0.0000269300000000, 0.0002322000000000 ] - [ -0.0003398900000000, -0.0000223600000000, 0.0002090700000000 ] - [ -0.0004375500000000, 0.0005274600000000, -0.0002606900000000 ] - [ -0.0003461200000000, 0.0000002700000000, 0.0002264600000000 ] - [ -0.0003650100000000, -0.0000182600000000, 0.0002395900000000 ] - [ -0.0003392700000000, -0.0000369100000000, 0.0002547400000000 ] - [ 0.0003326200000000, -0.0000194200000000, -0.0002009000000000 ] - [ 0.0003440600000000, -0.0001213900000000, -0.0002932100000000 ] - [ 0.0003537000000000, -0.0001116500000000, -0.0002683300000000 ] - [ 0.0002726800000000, 0.0000670200000000, -0.0003916300000000 ] - [ 0.0003393700000000, 0.0006567700000000, -0.0007326600000000 ] - [ 0.0003539300000000, 0.0000195100000000, -0.0002332000000000 ] - [ 0.0003500200000000, 0.0000335100000000, -0.0002524400000000 ] - [ 0.0003607300000000, 0.0000543400000000, -0.0002552200000000 ] - [ -0.0000141600000000, -0.0004247300000000, -0.0001781200000000 ] - [ 0.0000732600000000, -0.0003909000000000, -0.0003352800000000 ] - [ -0.0000275900000000, -0.0002967800000000, -0.0002041100000000 ] - [ -0.0001416900000000, -0.0004207700000000, -0.0005076800000000 ] - [ 0.0006067600000000, 0.0021583300000000, -0.0004376200000000 ] - [ -0.0000004400000000, 0.0004164200000000, -0.0002066600000000 ] - [ 0.0000361900000000, 0.0004166100000000, -0.0002661000000000 ] - [ 0.0000778300000000, 0.0004104300000000, -0.0003044200000000 ] - [ 0.0001204000000000, 0.0004368400000000, -0.0001082100000000 ] - [ -0.0001299800000000, 0.0004959700000000, 0.0002695100000000 ] - [ -0.0000383500000000, 0.0004176100000000, 0.0002501500000000 ] - [ -0.0000140000000000, 0.0004193000000000, 0.0002357800000000 ] - [ 0.0000065500000000, -0.0003598700000000, 0.0002187100000000 ] - [ -0.0000602800000000, -0.0004118000000000, 0.0002753800000000 ] - [ -0.0000488300000000, -0.0004156900000000, 0.0002630000000000 ] - [ -0.0000357600000000, -0.0004064100000000, 0.0002624800000000 ] - [ 0.0156415100000000, -0.0519979100000000, 0.0200604100000000 ] - [ -0.0002816300000000, -0.0004846500000000, -0.0001612600000000 ] - [ -0.0002800100000000, -0.0004737100000000, -0.0002071400000000 ] - [ -0.0002378600000000, -0.0004874900000000, -0.0001985100000000 ] - [ -0.0001586600000000, 0.0004718200000000, -0.0001948100000000 ] - [ -0.0002882800000000, 0.0004702300000000, -0.0002159500000000 ] - [ -0.0003171300000000, 0.0004719600000000, -0.0001377600000000 ] - [ -0.0002484400000000, 0.0004692900000000, -0.0001725600000000 ] - [ 0.0003477500000000, 0.0006927600000000, 0.0006269000000000 ] - [ 0.0002345900000000, 0.0004716100000000, 0.0001981100000000 ] - [ 0.0002118300000000, 0.0004890100000000, 0.0001410000000000 ] - [ 0.0002009800000000, 0.0005146500000000, 0.0001215300000000 ] - [ 0.0001038700000000, -0.0003539000000000, 0.0001257300000000 ] - [ 0.0003092200000000, -0.0004452200000000, 0.0002356600000000 ] - [ 0.0002544600000000, -0.0004736000000000, 0.0001713500000000 ] - [ 0.0002389600000000, -0.0004783500000000, 0.0001697500000000 ] - [ 0.0298685200000000, -0.0010765800000000, 0.0252641800000000 ] - [ 0.0003219900000000, 0.0000545500000000, -0.0000016200000000 ] - [ 0.0003346500000000, 0.0000821200000000, -0.0000715800000000 ] - [ 0.0003818900000000, 0.0000549700000000, -0.0000845600000000 ] - [ 0.0003311300000000, -0.0000595300000000, -0.0000372200000000 ] - [ 0.0005921200000000, -0.0000431500000000, 0.0000956000000000 ] - [ 0.0003904100000000, -0.0000702000000000, -0.0001072900000000 ] - [ 0.0003520900000000, -0.0000602100000000, -0.0000506100000000 ] - [ -0.0008794000000000, 0.0001556100000000, 0.0004117500000000 ] - [ -0.0003417200000000, -0.0001657800000000, 0.0001359400000000 ] - [ -0.0003645400000000, -0.0000905900000000, 0.0000379100000000 ] - [ -0.0003361000000000, -0.0000406600000000, -0.0000132000000000 ] - [ -0.0003647000000000, 0.0000815100000000, 0.0000418400000000 ] - [ -0.0003897300000000, 0.0000884500000000, 0.0000355200000000 ] - [ -0.0005791000000000, 0.0004793100000000, 0.0004427200000000 ] - [ -0.0003708100000000, 0.0000737500000000, 0.0000500300000000 ] - [ 0.0018775000000000, 0.0041910800000000, 0.0015710600000000 ] - [ 0.0000523700000000, 0.0001348600000000, -0.0000493600000000 ] - [ 0.0000168500000000, 0.0000637500000000, 0.0000375200000000 ] - [ -0.0000749200000000, 0.0000833100000000, 0.0000812000000000 ] - [ -0.0000652700000000, -0.0000341800000000, -0.0000538200000000 ] - [ 0.0000673900000000, 0.0002123800000000, 0.0000572600000000 ] - [ 0.0000197800000000, 0.0000062700000000, -0.0001483400000000 ] - [ -0.0000148300000000, -0.0000235300000000, 0.0000122800000000 ] - [ -0.0004321400000000, 0.0002965100000000, -0.0000799200000000 ] - [ 0.0000453300000000, -0.0000348100000000, -0.0000353600000000 ] - [ 0.0000606500000000, -0.0000751000000000, 0.0000270900000000 ] - [ -0.0000568000000000, -0.0001317100000000, 0.0001670600000000 ] - [ 0.0001387900000000, -0.0001326200000000, 0.0000170000000000 ] - [ -0.0000946800000000, -0.0001105400000000, -0.0000599600000000 ] - [ -0.0000082900000000, 0.0000391200000000, 0.0000399700000000 ] - [ 0.0000330500000000, 0.0000303200000000, 0.0000056400000000 ] - [ -0.0000889500000000, 0.0006015400000000, -0.0001440900000000 ] - [ 0.0003377600000000, 0.0003154300000000, 0.0003036000000000 ] - [ -0.0000571600000000, 0.0004412500000000, 0.0000391500000000 ] - [ -0.0000505700000000, 0.0004387900000000, 0.0003654900000000 ] - [ 0.0001364000000000, -0.0017888800000000, -0.0007788800000000 ] - [ -0.0000559500000000, -0.0003669200000000, 0.0000244700000000 ] - [ -0.0000823500000000, -0.0003923400000000, 0.0000763100000000 ] - [ -0.0000969000000000, -0.0004221400000000, 0.0001296100000000 ] - [ -0.0006793000000000, -0.0007231000000000, -0.0000380500000000 ] - [ 0.0002327600000000, -0.0005009200000000, -0.0001180800000000 ] - [ 0.0001154700000000, -0.0004021100000000, -0.0000286400000000 ] - [ 0.0000836300000000, -0.0003839800000000, -0.0000180700000000 ] - [ 0.0000513100000000, 0.0000633300000000, 0.0001719800000000 ] - [ 0.0001075100000000, 0.0003592800000000, -0.0000541500000000 ] - [ 0.0001213800000000, 0.0003583600000000, -0.0000547000000000 ] - [ 0.0000256900000000, 0.0002906500000000, -0.0000793100000000 ] - [ 0.0004174300000000, 0.0009391000000000, -0.0006692100000000 ] - [ 0.0008091000000000, 0.0007283700000000, -0.0002426700000000 ] - [ 0.0004073500000000, 0.0006756700000000, -0.0004240300000000 ] - [ 0.0003647700000000, 0.0006836400000000, -0.0002880500000000 ] - [ -0.0003589500000000, -0.0018180600000000, 0.0004750000000000 ] - [ 0.0004496200000000, -0.0007051900000000, -0.0003659400000000 ] - [ 0.0003805300000000, -0.0006463200000000, -0.0003640700000000 ] - [ 0.0003213400000000, -0.0006064600000000, -0.0003316400000000 ] - [ -0.0003585300000000, -0.0006849800000000, 0.0003598000000000 ] - [ -0.0003673600000000, -0.0005981100000000, 0.0004312500000000 ] - [ -0.0004905600000000, -0.0006602500000000, 0.0006476900000000 ] - [ -0.0002389900000000, -0.0008149500000000, 0.0004879000000000 ] - [ -0.0003937800000000, 0.0000729400000000, 0.0006550300000000 ] - [ -0.0003263300000000, 0.0006283300000000, 0.0003638100000000 ] - [ -0.0003319500000000, 0.0006475400000000, 0.0004007000000000 ] - [ -0.0003581800000000, 0.0006173000000000, 0.0004019800000000 ] - [ -0.0455926600000000, 0.0489973100000000, -0.0453404700000000 ] - [ 0.0000885000000000, 0.0004801000000000, -0.0005354100000000 ] - [ 0.0000717500000000, 0.0004482400000000, -0.0004308500000000 ] - [ -0.0000095300000000, 0.0004672000000000, -0.0004212800000000 ] - [ -0.0000972800000000, -0.0004165300000000, -0.0003549900000000 ] - [ 0.0000767900000000, -0.0004529200000000, -0.0004282400000000 ] - [ 0.0001470700000000, -0.0004260200000000, -0.0004863100000000 ] - [ -0.0001762200000000, -0.0001841100000000, -0.0005711500000000 ] - [ 0.0002596500000000, -0.0008638100000000, 0.0000179200000000 ] - [ -0.0000597000000000, -0.0004183200000000, 0.0003841600000000 ] - [ 0.0000076100000000, -0.0004418200000000, 0.0005165500000000 ] - [ -0.0000188700000000, -0.0005007700000000, 0.0005690700000000 ] - [ 0.0001844500000000, -0.0000773300000000, 0.0003055100000000 ] - [ -0.0000548300000000, 0.0004021400000000, 0.0004434500000000 ] - [ -0.0000212300000000, 0.0004274800000000, 0.0004713700000000 ] - [ 0.0000165200000000, 0.0004212100000000, 0.0004728400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020301400000000, -0.0001241800000000, 0.0005920800000000 ] - [ -0.0004997800000000, 0.0009830800000000, -0.0009251900000000 ] - [ -0.0000301000000000, 0.0001900300000000, -0.0000177400000000 ] - [ 0.0000121700000000, 0.0001323700000000, -0.0001325200000000 ] - [ 0.0003170700000000, 0.0002537300000000, 0.0013348800000000 ] - [ 0.0001204600000000, -0.0000768100000000, -0.0001272900000000 ] - [ 0.0001494200000000, -0.0000059700000000, -0.0001085300000000 ] - [ -0.0008400300000000, 0.0009176500000000, -0.0002798100000000 ] - [ 0.0000449500000000, -0.0003215300000000, 0.0000348700000000 ] - [ 0.0000520400000000, -0.0002960200000000, 0.0000088900000000 ] - [ 0.0000377100000000, -0.0002532800000000, 0.0001521800000000 ] - [ 0.0000299600000000, -0.0001984500000000, 0.0002296400000000 ] - [ 0.0000626300000000, -0.0013070100000000, 0.0005710900000000 ] - [ 0.0000309500000000, -0.0000227600000000, 0.0001539700000000 ] - [ 0.0000593900000000, 0.0000781000000000, 0.0001752000000000 ] - [ 0.0000244100000000, -0.0000098500000000, 0.0002411600000000 ] - [ -0.0007883800000000, 0.0004466900000000, 0.0005787100000000 ] - [ -0.0001854800000000, -0.0000804000000000, 0.0002184000000000 ] - [ -0.0003510300000000, 0.0000245800000000, 0.0002508200000000 ] - [ -0.0003615800000000, 0.0000730000000000, 0.0002735600000000 ] - [ -0.0002620900000000, -0.0005865700000000, 0.0007492800000000 ] - [ -0.0003553800000000, -0.0000513300000000, 0.0002566200000000 ] - [ -0.0003367400000000, -0.0000343800000000, 0.0002440900000000 ] - [ -0.0003626700000000, -0.0000151300000000, 0.0002280700000000 ] - [ 0.0003689600000000, -0.0000346000000000, -0.0002833600000000 ] - [ 0.0003582300000000, 0.0000665200000000, -0.0001923300000000 ] - [ 0.0003481700000000, 0.0000567300000000, -0.0002161900000000 ] - [ 0.0004302300000000, -0.0001199800000000, -0.0000901800000000 ] - [ 0.0003627200000000, -0.0006120300000000, 0.0002555800000000 ] - [ 0.0003477500000000, 0.0000332200000000, -0.0002503200000000 ] - [ 0.0003516300000000, 0.0000174700000000, -0.0002307500000000 ] - [ 0.0003409900000000, -0.0000021100000000, -0.0002287500000000 ] - [ 0.0000940200000000, -0.0004104500000000, -0.0003433300000000 ] - [ 0.0000057900000000, -0.0004446900000000, -0.0001900000000000 ] - [ 0.0001028300000000, -0.0005396700000000, -0.0003111200000000 ] - [ 0.0002202100000000, -0.0004141700000000, -0.0000114600000000 ] - [ -0.0005419600000000, -0.0013489700000000, -0.0000742700000000 ] - [ 0.0000780100000000, 0.0004196100000000, -0.0003110900000000 ] - [ 0.0000431600000000, 0.0004190500000000, -0.0002541400000000 ] - [ 0.0000020600000000, 0.0004250700000000, -0.0002166900000000 ] - [ -0.0001963400000000, 0.0003980600000000, 0.0006222400000000 ] - [ 0.0000518200000000, 0.0003386500000000, 0.0002504200000000 ] - [ -0.0000402000000000, 0.0004180300000000, 0.0002687800000000 ] - [ -0.0000625700000000, 0.0004169900000000, 0.0002811100000000 ] - [ -0.0000870000000000, -0.0004757700000000, 0.0003035300000000 ] - [ -0.0000187200000000, -0.0004238200000000, 0.0002446400000000 ] - [ -0.0000285200000000, -0.0004205900000000, 0.0002545800000000 ] - [ -0.0000412400000000, -0.0004298900000000, 0.0002543600000000 ] - [ -0.0144829600000000, 0.0500761300000000, -0.0189944900000000 ] - [ -0.0002046500000000, -0.0004764200000000, -0.0001894600000000 ] - [ -0.0002065400000000, -0.0004872400000000, -0.0001446500000000 ] - [ -0.0002486100000000, -0.0004735800000000, -0.0001536700000000 ] - [ -0.0003270100000000, 0.0004897800000000, -0.0001548500000000 ] - [ -0.0001964000000000, 0.0004928700000000, -0.0001345800000000 ] - [ -0.0001672000000000, 0.0004899100000000, -0.0002132700000000 ] - [ -0.0002392100000000, 0.0004919000000000, -0.0001802300000000 ] - [ 0.0001379700000000, 0.0002689600000000, -0.0002712600000000 ] - [ 0.0002512500000000, 0.0004889300000000, 0.0001535800000000 ] - [ 0.0002742700000000, 0.0004719900000000, 0.0002101400000000 ] - [ 0.0002847200000000, 0.0004463600000000, 0.0002294100000000 ] - [ 0.0003856700000000, -0.0006073900000000, 0.0002267700000000 ] - [ 0.0001750900000000, -0.0005165700000000, 0.0001142600000000 ] - [ 0.0002313300000000, -0.0004876600000000, 0.0001798000000000 ] - [ 0.0002473600000000, -0.0004828400000000, 0.0001817000000000 ] - [ -0.0290048000000000, 0.0013026000000000, -0.0253573400000000 ] - [ 0.0004068300000000, 0.0000982200000000, -0.0000922200000000 ] - [ 0.0003938600000000, 0.0000709100000000, -0.0000230300000000 ] - [ 0.0003469500000000, 0.0000979500000000, -0.0000102300000000 ] - [ 0.0003977500000000, -0.0000931600000000, -0.0000573900000000 ] - [ 0.0001343500000000, -0.0001109100000000, -0.0001910800000000 ] - [ 0.0003375800000000, -0.0000815000000000, 0.0000135500000000 ] - [ 0.0003763200000000, -0.0000923100000000, -0.0000438600000000 ] - [ 0.0001466500000000, -0.0003115700000000, -0.0003154300000000 ] - [ -0.0003868400000000, 0.0000099400000000, -0.0000391200000000 ] - [ -0.0003640200000000, -0.0000631600000000, 0.0000561900000000 ] - [ -0.0003924300000000, -0.0001129600000000, 0.0001070200000000 ] - [ -0.0003639500000000, 0.0000718000000000, 0.0000527200000000 ] - [ -0.0003387500000000, 0.0000655600000000, 0.0000590700000000 ] - [ -0.0001463800000000, -0.0003313000000000, -0.0003547000000000 ] - [ -0.0003578100000000, 0.0000794300000000, 0.0000444500000000 ] - [ -0.0018749300000000, -0.0040530000000000, -0.0015368600000000 ] - [ -0.0000878800000000, -0.0000329800000000, 0.0000507200000000 ] - [ -0.0000529400000000, 0.0000374500000000, -0.0000335400000000 ] - [ 0.0000378900000000, 0.0000195400000000, -0.0000762000000000 ] - [ 0.0000299400000000, -0.0000681500000000, 0.0000549800000000 ] - [ -0.0001072100000000, -0.0003186400000000, -0.0000587200000000 ] - [ -0.0000584200000000, -0.0001089400000000, 0.0001541900000000 ] - [ -0.0000205100000000, -0.0000779600000000, -0.0000084000000000 ] - [ 0.0004705800000000, -0.0003980900000000, 0.0000666300000000 ] - [ -0.0000080100000000, -0.0000649500000000, 0.0000324200000000 ] - [ -0.0000240500000000, -0.0000258000000000, -0.0000295400000000 ] - [ 0.0000936600000000, 0.0000316600000000, -0.0001686500000000 ] - [ -0.0001053200000000, 0.0002323700000000, -0.0000212500000000 ] - [ 0.0001340800000000, 0.0002133500000000, 0.0000569800000000 ] - [ 0.0000450300000000, 0.0000620900000000, -0.0000426400000000 ] - [ 0.0000029800000000, 0.0000710200000000, -0.0000075900000000 ] - [ -0.0001141300000000, 0.0001784200000000, 0.0002529800000000 ] - [ -0.0005219200000000, 0.0004671700000000, -0.0001897600000000 ] - [ -0.0001394700000000, 0.0003385400000000, 0.0000669000000000 ] - [ -0.0001472400000000, 0.0003392800000000, -0.0002575800000000 ] - [ -0.0003429100000000, 0.0010321900000000, 0.0009014000000000 ] - [ -0.0001413200000000, -0.0004125500000000, 0.0000826900000000 ] - [ -0.0001158000000000, -0.0003869800000000, 0.0000320500000000 ] - [ -0.0001007600000000, -0.0003590700000000, -0.0000192000000000 ] - [ 0.0008687000000000, -0.0000548900000000, -0.0000610400000000 ] - [ -0.0000350700000000, -0.0002769000000000, 0.0000099700000000 ] - [ 0.0000828400000000, -0.0003762100000000, -0.0000786500000000 ] - [ 0.0001136700000000, -0.0003936600000000, -0.0000875900000000 ] - [ 0.0001476800000000, 0.0007182000000000, -0.0002840900000000 ] - [ 0.0000903800000000, 0.0004193500000000, -0.0000540200000000 ] - [ 0.0000760000000000, 0.0004205100000000, -0.0000521400000000 ] - [ 0.0001735900000000, 0.0004891500000000, -0.0000251400000000 ] - [ 0.0002906100000000, 0.0003782000000000, -0.0001146000000000 ] - [ -0.0001077100000000, 0.0005830200000000, -0.0005292700000000 ] - [ 0.0002921200000000, 0.0006359800000000, -0.0003455400000000 ] - [ 0.0003336500000000, 0.0006252300000000, -0.0004768300000000 ] - [ 0.0010664300000000, 0.0005130500000000, -0.0012607600000000 ] - [ 0.0002526400000000, -0.0006096600000000, -0.0004068500000000 ] - [ 0.0003178400000000, -0.0006623900000000, -0.0004060400000000 ] - [ 0.0003771900000000, -0.0007030600000000, -0.0004373400000000 ] - [ -0.0003416200000000, -0.0006258300000000, 0.0004125700000000 ] - [ -0.0003354600000000, -0.0007136200000000, 0.0003434000000000 ] - [ -0.0002111400000000, -0.0006470000000000, 0.0001277100000000 ] - [ -0.0004608500000000, -0.0004909900000000, 0.0002813300000000 ] - [ -0.0003047600000000, 0.0012416800000000, 0.0001101200000000 ] - [ -0.0003728600000000, 0.0006820700000000, 0.0004070100000000 ] - [ -0.0003697700000000, 0.0006676000000000, 0.0003726700000000 ] - [ -0.0003440700000000, 0.0006974600000000, 0.0003724800000000 ] - [ 0.0438112000000000, -0.0473223300000000, 0.0429364400000000 ] - [ -0.0000503200000000, 0.0004002900000000, -0.0004218500000000 ] - [ -0.0000340500000000, 0.0004326600000000, -0.0005243900000000 ] - [ 0.0000465900000000, 0.0004138400000000, -0.0005328900000000 ] - [ 0.0001316500000000, -0.0004679600000000, -0.0006013900000000 ] - [ -0.0000407200000000, -0.0004304500000000, -0.0005276500000000 ] - [ -0.0001108200000000, -0.0004565900000000, -0.0004714400000000 ] - [ 0.0002168200000000, -0.0006957500000000, -0.0003817400000000 ] - [ -0.0002925400000000, -0.0000169000000000, 0.0009337200000000 ] - [ 0.0000218400000000, -0.0004602700000000, 0.0005695800000000 ] - [ -0.0000451600000000, -0.0004385200000000, 0.0004401400000000 ] - [ -0.0000180600000000, -0.0003793300000000, 0.0003874200000000 ] - [ -0.0002259200000000, 0.0009633900000000, 0.0006539100000000 ] - [ 0.0000189600000000, 0.0004794100000000, 0.0005131600000000 ] - [ -0.0000154800000000, 0.0004531800000000, 0.0004839100000000 ] - [ -0.0000538500000000, 0.0004591300000000, 0.0004822000000000 ]- atom: 49 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ -0.0028098500000000, 0.0012771300000000, -0.0013801900000000 ] - [ -0.0009396000000000, -0.0002605100000000, -0.0007676900000000 ] - [ -0.0000144700000000, 0.0000132700000000, -0.0000254400000000 ] - [ -0.0000053800000000, 0.0001300400000000, 0.0000198000000000 ] - [ 0.0015435200000000, -0.0008948900000000, 0.0032647000000000 ] - [ -0.0002472700000000, -0.0001554100000000, -0.0001406800000000 ] - [ -0.0002648900000000, -0.0000440000000000, -0.0001452700000000 ] - [ 0.0011529300000000, -0.0001438600000000, 0.0008061400000000 ] - [ -0.0001687000000000, 0.0000253200000000, 0.0001000600000000 ] - [ 0.0000448500000000, -0.0001379900000000, -0.0002737200000000 ] - [ 0.0000345800000000, -0.0001177300000000, 0.0003499800000000 ] - [ 0.0000009200000000, -0.0000561000000000, 0.0001859000000000 ] - [ 0.0006751000000000, 0.0003354400000000, 0.0000906100000000 ] - [ -0.0002612300000000, 0.0000396600000000, 0.0001252000000000 ] - [ -0.0000774400000000, 0.0001132700000000, 0.0002194100000000 ] - [ 0.0001183100000000, 0.0001554400000000, 0.0003489800000000 ] - [ -0.0014520400000000, -0.0011826000000000, 0.0012362800000000 ] - [ -0.0003535200000000, 0.0000170300000000, 0.0002373200000000 ] - [ -0.0003683900000000, 0.0001169900000000, 0.0003004200000000 ] - [ -0.0003341300000000, 0.0000163200000000, 0.0002650500000000 ] - [ -0.0003525100000000, -0.0002435800000000, 0.0006586700000000 ] - [ -0.0003608000000000, -0.0000162700000000, 0.0002198700000000 ] - [ -0.0003624000000000, -0.0000368700000000, 0.0002590500000000 ] - [ -0.0003368400000000, -0.0000340900000000, 0.0002593600000000 ] - [ 0.0003599700000000, 0.0002754500000000, -0.0000207500000000 ] - [ 0.0003397100000000, -0.0000011800000000, -0.0002405800000000 ] - [ 0.0003034300000000, -0.0000466600000000, -0.0002042100000000 ] - [ 0.0002583500000000, 0.0000217100000000, -0.0003458800000000 ] - [ 0.0003808900000000, 0.0002999100000000, -0.0005376200000000 ] - [ 0.0003311100000000, 0.0000204200000000, -0.0002551700000000 ] - [ 0.0003423200000000, 0.0000050100000000, -0.0002214300000000 ] - [ 0.0003622800000000, 0.0000012700000000, -0.0002065700000000 ] - [ -0.0002110900000000, -0.0005008800000000, 0.0002090000000000 ] - [ -0.0000326200000000, -0.0004452800000000, -0.0003059800000000 ] - [ -0.0004926600000000, -0.0004285000000000, 0.0004807000000000 ] - [ -0.0000261300000000, -0.0004302900000000, -0.0002516000000000 ] - [ 0.0005892700000000, -0.0003762300000000, -0.0011523700000000 ] - [ 0.0000005900000000, 0.0004175200000000, -0.0002413700000000 ] - [ -0.0000044700000000, 0.0004201300000000, -0.0002017100000000 ] - [ 0.0000351000000000, 0.0004200600000000, -0.0002260700000000 ] - [ -0.0002165700000000, 0.0003667600000000, 0.0005370600000000 ] - [ -0.0000812300000000, 0.0004194800000000, 0.0002750800000000 ] - [ -0.0001075200000000, 0.0004144100000000, 0.0003612200000000 ] - [ -0.0000270000000000, 0.0004145100000000, 0.0002899000000000 ] - [ 0.0001047400000000, -0.0004410800000000, 0.0001047600000000 ] - [ -0.0000752300000000, -0.0004200900000000, 0.0002572000000000 ] - [ -0.0000779800000000, -0.0004164400000000, 0.0003085500000000 ] - [ -0.0000323100000000, -0.0004152600000000, 0.0002843100000000 ] - [ 0.0230360200000000, 0.0031787400000000, -0.0076688600000000 ] - [ -0.0003882900000000, -0.0004439400000000, -0.0003045300000000 ] - [ -0.0002771900000000, -0.0004780600000000, -0.0001606800000000 ] - [ -0.0001449000000000, -0.0005006300000000, -0.0000981500000000 ] - [ -0.0002894800000000, 0.0004012700000000, -0.0001112400000000 ] - [ -0.0002791400000000, 0.0004749100000000, -0.0001981700000000 ] - [ -0.0002899300000000, 0.0005523400000000, -0.0001122200000000 ] - [ -0.0002547500000000, 0.0004786500000000, -0.0001750400000000 ] - [ 0.0003427300000000, 0.0007351500000000, 0.0003323500000000 ] - [ 0.0001463000000000, 0.0005023300000000, 0.0000834500000000 ] - [ 0.0001935500000000, 0.0004768500000000, 0.0001743000000000 ] - [ 0.0003514100000000, 0.0004701000000000, 0.0002474400000000 ] - [ 0.0001712100000000, -0.0005405700000000, 0.0001795700000000 ] - [ 0.0002031100000000, -0.0004787800000000, 0.0001452200000000 ] - [ 0.0002452000000000, -0.0004695600000000, 0.0001959800000000 ] - [ 0.0002627300000000, -0.0004791700000000, 0.0001911800000000 ] - [ -0.0026993300000000, 0.0000389900000000, -0.0045845900000000 ] - [ 0.0002713800000000, 0.0001072600000000, -0.0001072900000000 ] - [ 0.0003342700000000, 0.0000716700000000, -0.0000208400000000 ] - [ 0.0003870600000000, 0.0000609100000000, -0.0000016000000000 ] - [ 0.0003317000000000, -0.0000638700000000, -0.0000602600000000 ] - [ 0.0004717600000000, -0.0000671800000000, -0.0000388700000000 ] - [ 0.0003686200000000, -0.0000880500000000, -0.0000117600000000 ] - [ 0.0003528700000000, -0.0000790900000000, -0.0000441100000000 ] - [ -0.0007555000000000, 0.0002717100000000, -0.0000839400000000 ] - [ -0.0004244800000000, -0.0000366800000000, -0.0000309700000000 ] - [ -0.0003936900000000, -0.0001383100000000, 0.0001220200000000 ] - [ -0.0003485500000000, -0.0000456100000000, 0.0000531800000000 ] - [ -0.0003905100000000, 0.0000696100000000, 0.0000714400000000 ] - [ -0.0003293000000000, 0.0000895300000000, 0.0000263400000000 ] - [ -0.0004183800000000, 0.0001745400000000, 0.0001730400000000 ] - [ -0.0003770200000000, 0.0000709600000000, 0.0000418400000000 ] - [ -0.0027908000000000, -0.0002933300000000, 0.0040066100000000 ] - [ 0.0001888200000000, 0.0000377300000000, 0.0000726700000000 ] - [ 0.0000396100000000, 0.0000521100000000, -0.0000765500000000 ] - [ -0.0000749800000000, 0.0000835900000000, -0.0000966600000000 ] - [ 0.0000770300000000, 0.0000218400000000, -0.0000298400000000 ] - [ -0.0000987600000000, -0.0001315800000000, 0.0001486000000000 ] - [ -0.0000230100000000, -0.0000836100000000, -0.0001072400000000 ] - [ 0.0000103400000000, -0.0000475000000000, -0.0000217600000000 ] - [ -0.0004371200000000, -0.0000840600000000, -0.0000572300000000 ] - [ 0.0001429600000000, -0.0001025300000000, 0.0000124100000000 ] - [ 0.0000971500000000, -0.0000439000000000, -0.0000226400000000 ] - [ -0.0001842300000000, -0.0000047000000000, -0.0000577500000000 ] - [ 0.0001231800000000, 0.0001175500000000, 0.0000384600000000 ] - [ -0.0000173700000000, 0.0000941800000000, 0.0001015600000000 ] - [ 0.0000182500000000, 0.0000485700000000, -0.0000490800000000 ] - [ 0.0000320600000000, 0.0000412200000000, -0.0000459700000000 ] - [ 0.0005319100000000, 0.0002679200000000, -0.0005205700000000 ] - [ -0.0002689000000000, 0.0003931800000000, -0.0001201900000000 ] - [ 0.0001868100000000, 0.0004211100000000, -0.0003934200000000 ] - [ -0.0000950000000000, 0.0004436900000000, 0.0001688200000000 ] - [ -0.0004598000000000, -0.0011771700000000, 0.0002736100000000 ] - [ 0.0000231600000000, -0.0003682500000000, 0.0001021600000000 ] - [ -0.0000508000000000, -0.0003719400000000, 0.0000001100000000 ] - [ -0.0001524200000000, -0.0003330000000000, -0.0000521700000000 ] - [ 0.0003651100000000, 0.0004070700000000, 0.0001845300000000 ] - [ 0.0001514800000000, -0.0003786200000000, 0.0000190200000000 ] - [ 0.0001490100000000, -0.0004291700000000, -0.0001446400000000 ] - [ 0.0000538900000000, -0.0003839700000000, -0.0001273800000000 ] - [ 0.0000213900000000, 0.0005635100000000, -0.0001431200000000 ] - [ 0.0001581300000000, 0.0003863400000000, -0.0000311400000000 ] - [ 0.0001521100000000, 0.0003925900000000, -0.0000948400000000 ] - [ 0.0000311500000000, 0.0003726400000000, -0.0000890300000000 ] - [ 0.0014829000000000, 0.0007460600000000, -0.0019179600000000 ] - [ 0.0004008400000000, 0.0006228600000000, -0.0003558500000000 ] - [ 0.0005887400000000, 0.0006817700000000, -0.0007573600000000 ] - [ 0.0002856900000000, 0.0006652900000000, -0.0004012200000000 ] - [ 0.0004508900000000, 0.0005059900000000, -0.0006807200000000 ] - [ 0.0005037100000000, -0.0006777300000000, -0.0003000100000000 ] - [ 0.0004054800000000, -0.0006648000000000, -0.0004489500000000 ] - [ 0.0002934100000000, -0.0006721900000000, -0.0004780600000000 ] - [ -0.0003076500000000, -0.0008741000000000, 0.0001710500000000 ] - [ -0.0003532900000000, -0.0006902200000000, 0.0003864800000000 ] - [ -0.0001769900000000, -0.0005895200000000, 0.0001796300000000 ] - [ -0.0002573300000000, -0.0007863600000000, 0.0004573300000000 ] - [ -0.0005391300000000, 0.0004751400000000, 0.0006871500000000 ] - [ -0.0002638800000000, 0.0006666700000000, 0.0004367600000000 ] - [ -0.0003052300000000, 0.0006648000000000, 0.0003323000000000 ] - [ -0.0003968000000000, 0.0006593600000000, 0.0003089500000000 ] - [ -0.0164146300000000, -0.0025971300000000, 0.0060476100000000 ] - [ 0.0002448800000000, 0.0004102300000000, -0.0003501700000000 ] - [ 0.0000880800000000, 0.0004459900000000, -0.0005300000000000 ] - [ -0.0000657100000000, 0.0004549300000000, -0.0005990700000000 ] - [ -0.0000641700000000, -0.0004238200000000, -0.0006035600000000 ] - [ 0.0000720600000000, -0.0004260300000000, -0.0004876700000000 ] - [ 0.0001509600000000, -0.0005280300000000, -0.0004264400000000 ] - [ -0.0001214100000000, -0.0003900800000000, -0.0004024700000000 ] - [ 0.0000506700000000, -0.0007558000000000, 0.0005202000000000 ] - [ 0.0001322000000000, -0.0004513400000000, 0.0006118100000000 ] - [ 0.0000491000000000, -0.0003938700000000, 0.0004095500000000 ] - [ -0.0001016800000000, -0.0004565000000000, 0.0004010800000000 ] - [ 0.0000068600000000, 0.0003697200000000, 0.0003684200000000 ] - [ 0.0000446000000000, 0.0004474300000000, 0.0004964200000000 ] - [ 0.0000211400000000, 0.0004376200000000, 0.0004345100000000 ] - [ -0.0000978900000000, 0.0004053400000000, 0.0005083800000000 ]- atom: 49 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ 0.0027807400000000, -0.0011104200000000, 0.0011013700000000 ] - [ 0.0009019400000000, 0.0004431700000000, 0.0004493400000000 ] - [ -0.0000257400000000, 0.0001682700000000, -0.0002806400000000 ] - [ -0.0000336700000000, 0.0000515600000000, -0.0003305400000000 ] - [ -0.0015590000000000, 0.0006998800000000, -0.0035474500000000 ] - [ 0.0002024000000000, -0.0000252500000000, -0.0001690400000000 ] - [ 0.0002282900000000, -0.0001381000000000, -0.0001628700000000 ] - [ -0.0012061000000000, -0.0000411700000000, -0.0011164400000000 ] - [ 0.0002080800000000, -0.0002071000000000, 0.0002069500000000 ] - [ -0.0000055300000000, -0.0000447800000000, 0.0005828200000000 ] - [ 0.0000049700000000, -0.0000641300000000, -0.0000409500000000 ] - [ 0.0000394900000000, -0.0001265300000000, 0.0001245400000000 ] - [ -0.0006378600000000, -0.0001607700000000, 0.0002212600000000 ] - [ 0.0003016100000000, 0.0001422500000000, 0.0001842200000000 ] - [ 0.0001164700000000, 0.0000685200000000, 0.0000882600000000 ] - [ -0.0000778300000000, 0.0000267000000000, -0.0000409400000000 ] - [ 0.0007643300000000, 0.0012578700000000, -0.0007654600000000 ] - [ -0.0003463800000000, 0.0000337000000000, 0.0002455400000000 ] - [ -0.0003335200000000, -0.0000639200000000, 0.0001835400000000 ] - [ -0.0003677100000000, 0.0000358600000000, 0.0002183400000000 ] - [ -0.0003504200000000, 0.0001923200000000, -0.0001726200000000 ] - [ -0.0003411800000000, -0.0000356700000000, 0.0002635900000000 ] - [ -0.0003394400000000, -0.0000160300000000, 0.0002248000000000 ] - [ -0.0003651700000000, -0.0000191800000000, 0.0002250000000000 ] - [ 0.0003421400000000, -0.0003233400000000, -0.0004603600000000 ] - [ 0.0003622400000000, -0.0000519900000000, -0.0002444800000000 ] - [ 0.0003991100000000, -0.0000044200000000, -0.0002794300000000 ] - [ 0.0004443600000000, -0.0000746500000000, -0.0001348400000000 ] - [ 0.0003214300000000, -0.0002468600000000, 0.0000535800000000 ] - [ 0.0003707300000000, 0.0000317000000000, -0.0002284000000000 ] - [ 0.0003593600000000, 0.0000453100000000, -0.0002613100000000 ] - [ 0.0003392800000000, 0.0000483200000000, -0.0002757800000000 ] - [ 0.0002868900000000, -0.0003358000000000, -0.0007230100000000 ] - [ 0.0001126400000000, -0.0003904000000000, -0.0002193600000000 ] - [ 0.0005787000000000, -0.0004072400000000, -0.0010106200000000 ] - [ 0.0001059500000000, -0.0004053600000000, -0.0002645000000000 ] - [ -0.0005057300000000, 0.0012216500000000, 0.0006284700000000 ] - [ 0.0000780200000000, 0.0004181000000000, -0.0002773300000000 ] - [ 0.0000836400000000, 0.0004155500000000, -0.0003180700000000 ] - [ 0.0000434500000000, 0.0004156200000000, -0.0002928700000000 ] - [ 0.0001363300000000, 0.0004698900000000, -0.0000147900000000 ] - [ 0.0000044500000000, 0.0004149000000000, 0.0002441300000000 ] - [ 0.0000285300000000, 0.0004213800000000, 0.0001583400000000 ] - [ -0.0000494900000000, 0.0004219800000000, 0.0002266500000000 ] - [ -0.0001829400000000, -0.0003949400000000, 0.0004140400000000 ] - [ -0.0000036000000000, -0.0004157300000000, 0.0002621700000000 ] - [ 0.0000007000000000, -0.0004198600000000, 0.0002093000000000 ] - [ -0.0000458100000000, -0.0004208500000000, 0.0002344700000000 ] - [ -0.0207735100000000, -0.0045270000000000, 0.0094945400000000 ] - [ -0.0000970800000000, -0.0005173100000000, -0.0000459500000000 ] - [ -0.0002089300000000, -0.0004830900000000, -0.0001906300000000 ] - [ -0.0003403600000000, -0.0004606800000000, -0.0002524700000000 ] - [ -0.0001973800000000, 0.0005591200000000, -0.0002403800000000 ] - [ -0.0002075200000000, 0.0004868300000000, -0.0001539100000000 ] - [ -0.0001961700000000, 0.0004077000000000, -0.0002397700000000 ] - [ -0.0002304500000000, 0.0004826000000000, -0.0001755100000000 ] - [ 0.0001447500000000, 0.0002263100000000, 0.0000176500000000 ] - [ 0.0003387400000000, 0.0004585400000000, 0.0002672600000000 ] - [ 0.0002930200000000, 0.0004842600000000, 0.0001773200000000 ] - [ 0.0001340200000000, 0.0004910200000000, 0.0001037700000000 ] - [ 0.0003139400000000, -0.0004205800000000, 0.0001711700000000 ] - [ 0.0002828900000000, -0.0004826600000000, 0.0002058700000000 ] - [ 0.0002406700000000, -0.0004916100000000, 0.0001551500000000 ] - [ 0.0002234400000000, -0.0004821100000000, 0.0001598600000000 ] - [ 0.0033307500000000, 0.0001764200000000, 0.0045321600000000 ] - [ 0.0004560800000000, 0.0000463300000000, 0.0000119500000000 ] - [ 0.0003943900000000, 0.0000811800000000, -0.0000732900000000 ] - [ 0.0003412700000000, 0.0000924900000000, -0.0000931600000000 ] - [ 0.0003970600000000, -0.0000898800000000, -0.0000339100000000 ] - [ 0.0002568300000000, -0.0000857900000000, -0.0000554600000000 ] - [ 0.0003599500000000, -0.0000656900000000, -0.0000825300000000 ] - [ 0.0003753900000000, -0.0000735900000000, -0.0000504500000000 ] - [ 0.0000284800000000, -0.0004214900000000, 0.0001737300000000 ] - [ -0.0003048900000000, -0.0001175200000000, 0.0001272500000000 ] - [ -0.0003345200000000, -0.0000141200000000, -0.0000284500000000 ] - [ -0.0003804100000000, -0.0001077500000000, 0.0000421200000000 ] - [ -0.0003381200000000, 0.0000833800000000, 0.0000229400000000 ] - [ -0.0003987200000000, 0.0000637900000000, 0.0000670000000000 ] - [ -0.0003108900000000, -0.0000205500000000, -0.0000772600000000 ] - [ -0.0003512600000000, 0.0000817200000000, 0.0000526000000000 ] - [ 0.0027816200000000, 0.0003801700000000, -0.0039687700000000 ] - [ -0.0002272300000000, 0.0000625300000000, -0.0000709500000000 ] - [ -0.0000762400000000, 0.0000490700000000, 0.0000805800000000 ] - [ 0.0000389700000000, 0.0000159500000000, 0.0000965300000000 ] - [ -0.0001128900000000, -0.0001228100000000, 0.0000333500000000 ] - [ 0.0000623200000000, 0.0000256100000000, -0.0001445200000000 ] - [ -0.0000133400000000, -0.0000170000000000, 0.0001098800000000 ] - [ -0.0000473300000000, -0.0000539900000000, 0.0000240000000000 ] - [ 0.0004681700000000, -0.0000210000000000, 0.0000571900000000 ] - [ -0.0001045700000000, 0.0000011300000000, -0.0000147900000000 ] - [ -0.0000611300000000, -0.0000576500000000, 0.0000196800000000 ] - [ 0.0002222300000000, -0.0000981300000000, 0.0000551000000000 ] - [ -0.0000863700000000, -0.0000144400000000, -0.0000412800000000 ] - [ 0.0000536900000000, 0.0000078100000000, -0.0001038000000000 ] - [ 0.0000184600000000, 0.0000532800000000, 0.0000458100000000 ] - [ 0.0000042900000000, 0.0000604600000000, 0.0000437600000000 ] - [ -0.0007201300000000, 0.0005083900000000, 0.0006229400000000 ] - [ 0.0000859600000000, 0.0003871200000000, 0.0002329200000000 ] - [ -0.0003886900000000, 0.0003568100000000, 0.0005064200000000 ] - [ -0.0001030700000000, 0.0003344300000000, -0.0000644300000000 ] - [ 0.0002660900000000, 0.0003966700000000, -0.0001709700000000 ] - [ -0.0002218900000000, -0.0004107900000000, 0.0000051800000000 ] - [ -0.0001472600000000, -0.0004068200000000, 0.0001076800000000 ] - [ -0.0000469800000000, -0.0004434400000000, 0.0001573300000000 ] - [ -0.0001606300000000, -0.0011907700000000, -0.0003018800000000 ] - [ 0.0000454700000000, -0.0003998700000000, -0.0001254400000000 ] - [ 0.0000495000000000, -0.0003502500000000, 0.0000362600000000 ] - [ 0.0001436200000000, -0.0003950900000000, 0.0000215700000000 ] - [ 0.0001766000000000, 0.0002163700000000, 0.0000355500000000 ] - [ 0.0000404500000000, 0.0003926800000000, -0.0000764400000000 ] - [ 0.0000454900000000, 0.0003867700000000, -0.0000122100000000 ] - [ 0.0001669400000000, 0.0004067400000000, -0.0000192000000000 ] - [ -0.0007942100000000, 0.0005657200000000, 0.0011645600000000 ] - [ 0.0002958600000000, 0.0006899100000000, -0.0004180800000000 ] - [ 0.0001146200000000, 0.0006307200000000, -0.0000182400000000 ] - [ 0.0004093500000000, 0.0006423300000000, -0.0003670200000000 ] - [ 0.0002515900000000, -0.0018168000000000, -0.0000912700000000 ] - [ 0.0001959700000000, -0.0006361300000000, -0.0004746900000000 ] - [ 0.0002929300000000, -0.0006438800000000, -0.0003218500000000 ] - [ 0.0004061600000000, -0.0006367500000000, -0.0002937100000000 ] - [ -0.0003930100000000, -0.0004419100000000, 0.0005997800000000 ] - [ -0.0003489500000000, -0.0006229700000000, 0.0003885100000000 ] - [ -0.0005210200000000, -0.0007209700000000, 0.0005892700000000 ] - [ -0.0004442300000000, -0.0005204000000000, 0.0003108800000000 ] - [ -0.0001602900000000, 0.0008345700000000, 0.0000846900000000 ] - [ -0.0004357800000000, 0.0006444300000000, 0.0003347800000000 ] - [ -0.0003967900000000, 0.0006504700000000, 0.0004403000000000 ] - [ -0.0003046300000000, 0.0006568800000000, 0.0004630400000000 ] - [ 0.0137162500000000, 0.0038303300000000, -0.0092816100000000 ] - [ -0.0002070100000000, 0.0004708100000000, -0.0006055300000000 ] - [ -0.0000510400000000, 0.0004353100000000, -0.0004263500000000 ] - [ 0.0001027200000000, 0.0004263600000000, -0.0003572400000000 ] - [ 0.0001029900000000, -0.0004559700000000, -0.0003531000000000 ] - [ -0.0000346100000000, -0.0004563700000000, -0.0004671500000000 ] - [ -0.0001149200000000, -0.0003519800000000, -0.0005293700000000 ] - [ 0.0001580100000000, -0.0004916900000000, -0.0005542600000000 ] - [ -0.0000911300000000, -0.0001243600000000, 0.0004391600000000 ] - [ -0.0001681100000000, -0.0004285500000000, 0.0003433000000000 ] - [ -0.0000868600000000, -0.0004878400000000, 0.0005467600000000 ] - [ 0.0000651000000000, -0.0004245800000000, 0.0005542200000000 ] - [ -0.0000422400000000, 0.0005104300000000, 0.0005864900000000 ] - [ -0.0000818600000000, 0.0004341500000000, 0.0004593500000000 ] - [ -0.0000579600000000, 0.0004431700000000, 0.0005213200000000 ] - [ 0.0000603500000000, 0.0004752400000000, 0.0004482300000000 ]- atom: 65 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ -0.0009253100000000, -0.0026694400000000, -0.0010557100000000 ] - [ 0.0004234600000000, 0.0003218600000000, -0.0001476000000000 ] - [ 0.0001842200000000, 0.0001204200000000, -0.0002300300000000 ] - [ -0.0002188200000000, -0.0000342500000000, -0.0000668800000000 ] - [ 0.0005062700000000, 0.0017934300000000, -0.0026952100000000 ] - [ 0.0009423600000000, -0.0004993900000000, 0.0001345900000000 ] - [ 0.0001616600000000, -0.0001892500000000, -0.0002588600000000 ] - [ -0.0003208200000000, -0.0000886400000000, 0.0001932400000000 ] - [ 0.0004679400000000, -0.0001936600000000, 0.0001326800000000 ] - [ -0.0006594900000000, 0.0006007000000000, 0.0009677100000000 ] - [ -0.0001134000000000, 0.0000211200000000, -0.0000970500000000 ] - [ 0.0001494900000000, -0.0000826600000000, 0.0001116000000000 ] - [ -0.0008662500000000, -0.0001331900000000, 0.0004986200000000 ] - [ 0.0004181900000000, 0.0002848000000000, 0.0000096900000000 ] - [ 0.0001624200000000, 0.0002275000000000, 0.0002903600000000 ] - [ 0.0002149700000000, -0.0001763300000000, -0.0004771500000000 ] - [ -0.0006411100000000, -0.0005610700000000, -0.0004858000000000 ] - [ -0.0002635600000000, 0.0000084700000000, 0.0002404900000000 ] - [ -0.0003155400000000, 0.0000042700000000, 0.0002457800000000 ] - [ -0.0004536400000000, 0.0001886600000000, 0.0002248800000000 ] - [ -0.0003045800000000, 0.0000082500000000, 0.0002910800000000 ] - [ -0.0003770600000000, -0.0000554800000000, 0.0002858900000000 ] - [ -0.0003552600000000, -0.0000124700000000, 0.0002296400000000 ] - [ -0.0003476200000000, -0.0000004100000000, 0.0002274800000000 ] - [ 0.0004598200000000, -0.0001132600000000, -0.0003419300000000 ] - [ 0.0002776900000000, 0.0007732800000000, 0.0003361900000000 ] - [ 0.0003356600000000, -0.0001707400000000, -0.0003536000000000 ] - [ 0.0003869700000000, -0.0000744900000000, -0.0002032500000000 ] - [ 0.0003338000000000, 0.0001705200000000, -0.0003034700000000 ] - [ 0.0003751300000000, 0.0000347200000000, -0.0002482400000000 ] - [ 0.0003651700000000, 0.0000059000000000, -0.0002292300000000 ] - [ 0.0003414000000000, 0.0000627500000000, -0.0002828100000000 ] - [ 0.0002441100000000, -0.0003954800000000, -0.0005183200000000 ] - [ -0.0006929200000000, -0.0005353300000000, 0.0007101400000000 ] - [ 0.0001186300000000, -0.0003831900000000, -0.0003470500000000 ] - [ 0.0001213700000000, -0.0004197400000000, -0.0002316000000000 ] - [ 0.0001936800000000, 0.0004879300000000, -0.0002276400000000 ] - [ 0.0000984800000000, 0.0004295900000000, -0.0003500900000000 ] - [ 0.0000538900000000, 0.0004111800000000, -0.0002648000000000 ] - [ 0.0000512700000000, 0.0004157200000000, -0.0002980300000000 ] - [ 0.0006086500000000, 0.0003888400000000, -0.0003813900000000 ] - [ 0.0000181000000000, 0.0003942900000000, 0.0002568200000000 ] - [ 0.0000753000000000, 0.0004287800000000, 0.0001545700000000 ] - [ -0.0003039100000000, 0.0004086400000000, 0.0003930600000000 ] - [ -0.0000987800000000, -0.0005121300000000, 0.0003800000000000 ] - [ 0.0000046300000000, -0.0003912400000000, 0.0002539100000000 ] - [ -0.0000142600000000, -0.0004169500000000, 0.0002278200000000 ] - [ -0.0000372200000000, -0.0004202700000000, 0.0002289600000000 ] - [ 0.0114290900000000, 0.0287117500000000, 0.0064809400000000 ] - [ -0.0000463600000000, -0.0005231300000000, -0.0001174900000000 ] - [ -0.0001202300000000, -0.0005103400000000, -0.0001011700000000 ] - [ -0.0003605800000000, -0.0004630000000000, -0.0002552300000000 ] - [ -0.0001224000000000, 0.0005138300000000, -0.0001070900000000 ] - [ -0.0004982200000000, 0.0002505000000000, -0.0002677900000000 ] - [ -0.0002920400000000, 0.0004540500000000, -0.0002155900000000 ] - [ -0.0001711000000000, 0.0004927300000000, -0.0001233000000000 ] - [ 0.0007921900000000, -0.0000312000000000, 0.0001572300000000 ] - [ 0.0004908900000000, 0.0005033100000000, 0.0003270600000000 ] - [ 0.0002834500000000, 0.0004803300000000, 0.0001730500000000 ] - [ 0.0001296000000000, 0.0005089000000000, 0.0000903300000000 ] - [ 0.0002530400000000, -0.0002636600000000, 0.0001111100000000 ] - [ 0.0003122600000000, -0.0004739900000000, 0.0002231300000000 ] - [ 0.0003094500000000, -0.0004801700000000, 0.0002020000000000 ] - [ 0.0001144200000000, -0.0004549400000000, 0.0001021300000000 ] - [ -0.0810796800000000, -0.1275764000000000, -0.0392797200000000 ] - [ 0.0005006600000000, 0.0000952800000000, -0.0000636200000000 ] - [ 0.0004063400000000, 0.0000885200000000, -0.0000624300000000 ] - [ 0.0003393700000000, 0.0000627600000000, -0.0000775800000000 ] - [ 0.0003745800000000, -0.0000547200000000, -0.0000524100000000 ] - [ 0.0003787200000000, -0.0000502100000000, -0.0000331900000000 ] - [ 0.0003746300000000, -0.0000658200000000, -0.0000907300000000 ] - [ 0.0003782200000000, -0.0000948300000000, -0.0000429200000000 ] - [ 0.0000638900000000, -0.0001287500000000, 0.0000374400000000 ] - [ 0.0001613100000000, 0.0002349000000000, -0.0001720100000000 ] - [ -0.0003890700000000, -0.0000416500000000, 0.0000505400000000 ] - [ -0.0003440100000000, -0.0001098400000000, 0.0000158200000000 ] - [ -0.0003302900000000, 0.0000643900000000, 0.0000318100000000 ] - [ -0.0003567500000000, 0.0000890600000000, 0.0000450100000000 ] - [ -0.0004929100000000, 0.0002207500000000, 0.0001500500000000 ] - [ -0.0003401400000000, 0.0000733500000000, 0.0000314000000000 ] - [ -0.0004583100000000, -0.0005769300000000, -0.0005696000000000 ] - [ -0.0003223200000000, 0.0001963200000000, 0.0002262100000000 ] - [ -0.0000979400000000, 0.0000508900000000, -0.0002016600000000 ] - [ -0.0000692300000000, 0.0000306900000000, 0.0002340000000000 ] - [ -0.0002168400000000, -0.0000149800000000, 0.0000422300000000 ] - [ 0.0004544100000000, -0.0002914500000000, 0.0001506000000000 ] - [ 0.0000765600000000, -0.0000742300000000, -0.0000039700000000 ] - [ -0.0001054500000000, -0.0000546700000000, 0.0000074300000000 ] - [ 0.0008038800000000, 0.0013700400000000, 0.0013443300000000 ] - [ -0.0002953700000000, -0.0001655200000000, -0.0000606400000000 ] - [ -0.0000784800000000, -0.0000589600000000, 0.0000481600000000 ] - [ 0.0001967800000000, -0.0000014000000000, 0.0001112800000000 ] - [ 0.0000051700000000, -0.0000704600000000, -0.0000338900000000 ] - [ -0.0000246200000000, 0.0000049900000000, -0.0000588500000000 ] - [ -0.0000848700000000, 0.0000825900000000, 0.0000492200000000 ] - [ 0.0001015100000000, 0.0000567700000000, 0.0000217200000000 ] - [ -0.0005659900000000, 0.0003132800000000, 0.0002249200000000 ] - [ -0.0016871500000000, 0.0009107500000000, -0.0014357400000000 ] - [ -0.0000923300000000, 0.0004613700000000, 0.0001563500000000 ] - [ -0.0001579600000000, 0.0003980800000000, 0.0000172000000000 ] - [ -0.0000487900000000, -0.0007615300000000, -0.0002445100000000 ] - [ -0.0002174100000000, -0.0003829400000000, 0.0000819900000000 ] - [ -0.0001837300000000, -0.0003341000000000, -0.0000082300000000 ] - [ 0.0000101200000000, -0.0004529900000000, 0.0002225500000000 ] - [ 0.0015243700000000, -0.0015183000000000, 0.0016527200000000 ] - [ -0.0000982600000000, -0.0003739100000000, -0.0000761600000000 ] - [ -0.0000189200000000, -0.0003924600000000, -0.0000098900000000 ] - [ 0.0003070200000000, -0.0004326000000000, -0.0000077700000000 ] - [ 0.0000426000000000, 0.0004732400000000, -0.0001052600000000 ] - [ 0.0000929800000000, 0.0003718800000000, -0.0000729000000000 ] - [ 0.0000805100000000, 0.0003532300000000, -0.0000045700000000 ] - [ 0.0001010200000000, 0.0003446000000000, -0.0000422300000000 ] - [ 0.0005658700000000, 0.0011434600000000, -0.0000214200000000 ] - [ 0.0001311200000000, 0.0006632300000000, -0.0004277600000000 ] - [ 0.0000588200000000, 0.0006207500000000, -0.0002874800000000 ] - [ 0.0010892900000000, 0.0006484600000000, -0.0008469700000000 ] - [ 0.0002467900000000, -0.0006359300000000, -0.0005905900000000 ] - [ 0.0003154700000000, -0.0005072700000000, -0.0002233100000000 ] - [ 0.0003445400000000, -0.0006426100000000, -0.0003678200000000 ] - [ 0.0003277900000000, -0.0006789200000000, -0.0003580400000000 ] - [ -0.0005755200000000, -0.0005796100000000, 0.0005096900000000 ] - [ -0.0000658800000000, -0.0011923800000000, -0.0000557000000000 ] - [ -0.0007152700000000, -0.0006468400000000, 0.0008998900000000 ] - [ -0.0003880100000000, -0.0005645200000000, 0.0003814600000000 ] - [ -0.0001437300000000, 0.0005305100000000, 0.0002387000000000 ] - [ -0.0004710700000000, 0.0006199400000000, 0.0003616200000000 ] - [ -0.0004073300000000, 0.0006609200000000, 0.0003815100000000 ] - [ -0.0002664800000000, 0.0006562600000000, 0.0005115100000000 ] - [ 0.0693113300000000, 0.1000525300000000, 0.0334933400000000 ] - [ -0.0003305700000000, 0.0004656300000000, -0.0004601700000000 ] - [ -0.0001319600000000, 0.0004544000000000, -0.0005040000000000 ] - [ 0.0001622000000000, 0.0004562500000000, -0.0004437100000000 ] - [ -0.0002057500000000, -0.0005322000000000, -0.0004167700000000 ] - [ 0.0001501800000000, -0.0002003900000000, -0.0005265700000000 ] - [ 0.0000162600000000, -0.0004179300000000, -0.0004659900000000 ] - [ -0.0000507000000000, -0.0005086500000000, -0.0005579400000000 ] - [ -0.0005538000000000, -0.0000886200000000, 0.0003541200000000 ] - [ -0.0004308000000000, -0.0007592800000000, 0.0004789900000000 ] - [ -0.0000222100000000, -0.0004749200000000, 0.0004896400000000 ] - [ 0.0000028100000000, -0.0004474200000000, 0.0006338000000000 ] - [ 0.0001969800000000, 0.0000824800000000, 0.0005838000000000 ] - [ -0.0001294300000000, 0.0004255000000000, 0.0004759800000000 ] - [ -0.0001313000000000, 0.0004343400000000, 0.0004889000000000 ] - [ 0.0001939100000000, 0.0005172100000000, 0.0005200400000000 ]- atom: 65 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ 0.0008579000000000, 0.0028442900000000, 0.0007358900000000 ] - [ -0.0004573600000000, -0.0001435300000000, -0.0001591600000000 ] - [ -0.0002212000000000, 0.0000609400000000, -0.0000789300000000 ] - [ 0.0001767300000000, 0.0002149700000000, -0.0002390000000000 ] - [ -0.0005252100000000, -0.0019772000000000, 0.0023643400000000 ] - [ -0.0009700700000000, 0.0003113500000000, -0.0004389700000000 ] - [ -0.0002014700000000, 0.0000065700000000, -0.0000511100000000 ] - [ 0.0002854200000000, -0.0000963100000000, -0.0004988000000000 ] - [ -0.0004252200000000, 0.0000135300000000, 0.0001763400000000 ] - [ 0.0006895900000000, -0.0007830900000000, -0.0006618300000000 ] - [ 0.0001522600000000, -0.0002031400000000, 0.0004073800000000 ] - [ -0.0001082800000000, -0.0000990400000000, 0.0001970000000000 ] - [ 0.0009078500000000, 0.0003191000000000, -0.0001904500000000 ] - [ -0.0003801100000000, -0.0001014200000000, 0.0002966300000000 ] - [ -0.0001215600000000, -0.0000434300000000, 0.0000204500000000 ] - [ -0.0001748500000000, 0.0003565000000000, 0.0007803500000000 ] - [ -0.0000654300000000, 0.0006087000000000, 0.0009773700000000 ] - [ -0.0004380300000000, 0.0000431600000000, 0.0002425700000000 ] - [ -0.0003858100000000, 0.0000483200000000, 0.0002381300000000 ] - [ -0.0002490600000000, -0.0001346400000000, 0.0002588400000000 ] - [ -0.0003984000000000, -0.0000567000000000, 0.0001893600000000 ] - [ -0.0003252100000000, 0.0000027300000000, 0.0001979700000000 ] - [ -0.0003467000000000, -0.0000405900000000, 0.0002544000000000 ] - [ -0.0003540700000000, -0.0000523500000000, 0.0002564100000000 ] - [ 0.0002429900000000, 0.0000624200000000, -0.0001404400000000 ] - [ 0.0004222700000000, -0.0008120100000000, -0.0008117500000000 ] - [ 0.0003660200000000, 0.0001190000000000, -0.0001302000000000 ] - [ 0.0003147400000000, 0.0000219200000000, -0.0002811000000000 ] - [ 0.0003677400000000, -0.0001153300000000, -0.0001819000000000 ] - [ 0.0003268700000000, 0.0000173800000000, -0.0002354400000000 ] - [ 0.0003366600000000, 0.0000439600000000, -0.0002531700000000 ] - [ 0.0003602300000000, -0.0000119800000000, -0.0002002000000000 ] - [ -0.0001649800000000, -0.0004403800000000, -0.0000000200000000 ] - [ 0.0007595500000000, -0.0003015600000000, -0.0012188500000000 ] - [ -0.0000434900000000, -0.0004531300000000, -0.0001691500000000 ] - [ -0.0000430800000000, -0.0004161400000000, -0.0002880700000000 ] - [ -0.0001105800000000, 0.0003600500000000, -0.0002868500000000 ] - [ -0.0000190100000000, 0.0004062400000000, -0.0001700700000000 ] - [ 0.0000250300000000, 0.0004244000000000, -0.0002544000000000 ] - [ 0.0000279400000000, 0.0004199100000000, -0.0002218500000000 ] - [ -0.0006914300000000, 0.0004477200000000, 0.0009092500000000 ] - [ -0.0000968500000000, 0.0004415400000000, 0.0002622400000000 ] - [ -0.0001528800000000, 0.0004070200000000, 0.0003638000000000 ] - [ 0.0002242700000000, 0.0004273600000000, 0.0001266600000000 ] - [ 0.0000202900000000, -0.0003235200000000, 0.0001395700000000 ] - [ -0.0000831100000000, -0.0004442900000000, 0.0002651400000000 ] - [ -0.0000633400000000, -0.0004192500000000, 0.0002904300000000 ] - [ -0.0000402600000000, -0.0004159600000000, 0.0002890500000000 ] - [ -0.0119672900000000, -0.0300525400000000, -0.0073558400000000 ] - [ -0.0004387100000000, -0.0004381500000000, -0.0002344300000000 ] - [ -0.0003642100000000, -0.0004512600000000, -0.0002488100000000 ] - [ -0.0001261600000000, -0.0004981300000000, -0.0000965300000000 ] - [ -0.0003615600000000, 0.0004471600000000, -0.0002431800000000 ] - [ 0.0000087800000000, 0.0007076100000000, -0.0000846000000000 ] - [ -0.0001953700000000, 0.0005071200000000, -0.0001360700000000 ] - [ -0.0003142400000000, 0.0004684700000000, -0.0002275400000000 ] - [ -0.0003022900000000, 0.0009964200000000, 0.0002011600000000 ] - [ -0.0000033000000000, 0.0004585300000000, 0.0000243700000000 ] - [ 0.0002025500000000, 0.0004807700000000, 0.0001785300000000 ] - [ 0.0003564600000000, 0.0004522900000000, 0.0002608700000000 ] - [ 0.0002318300000000, -0.0006982000000000, 0.0002397200000000 ] - [ 0.0001745300000000, -0.0004870300000000, 0.0001284900000000 ] - [ 0.0001775200000000, -0.0004809500000000, 0.0001496000000000 ] - [ 0.0003707600000000, -0.0005059400000000, 0.0002486900000000 ] - [ 0.0797763200000000, 0.1289664200000000, 0.0396937700000000 ] - [ 0.0002286000000000, 0.0000581600000000, -0.0000312500000000 ] - [ 0.0003224200000000, 0.0000647300000000, -0.0000319200000000 ] - [ 0.0003890400000000, 0.0000901900000000, -0.0000165800000000 ] - [ 0.0003540500000000, -0.0000990200000000, -0.0000419500000000 ] - [ 0.0003510100000000, -0.0001028900000000, -0.0000606300000000 ] - [ 0.0003542200000000, -0.0000872400000000, -0.0000043900000000 ] - [ 0.0003505700000000, -0.0000585900000000, -0.0000514600000000 ] - [ -0.0007966700000000, -0.0000229400000000, 0.0000574300000000 ] - [ -0.0008855400000000, -0.0003823400000000, 0.0002618400000000 ] - [ -0.0003399800000000, -0.0001115300000000, 0.0000446900000000 ] - [ -0.0003840300000000, -0.0000434800000000, 0.0000780900000000 ] - [ -0.0003979300000000, 0.0000884600000000, 0.0000624600000000 ] - [ -0.0003720300000000, 0.0000644700000000, 0.0000490800000000 ] - [ -0.0002371100000000, -0.0000654600000000, -0.0000535800000000 ] - [ -0.0003881400000000, 0.0000793500000000, 0.0000627800000000 ] - [ 0.0004284300000000, 0.0006843700000000, 0.0005923300000000 ] - [ 0.0002842800000000, -0.0000952900000000, -0.0002198700000000 ] - [ 0.0000606600000000, 0.0000501800000000, 0.0002007500000000 ] - [ 0.0000312600000000, 0.0000709600000000, -0.0002287300000000 ] - [ 0.0001778400000000, -0.0000851400000000, -0.0000390500000000 ] - [ -0.0004854200000000, 0.0001898100000000, -0.0001467400000000 ] - [ -0.0001120900000000, -0.0000269500000000, 0.0000056600000000 ] - [ 0.0000683600000000, -0.0000465400000000, -0.0000046500000000 ] - [ -0.0007846600000000, -0.0014668000000000, -0.0013454700000000 ] - [ 0.0003295600000000, 0.0000620700000000, 0.0000575800000000 ] - [ 0.0001151200000000, -0.0000427100000000, -0.0000504700000000 ] - [ -0.0001603900000000, -0.0000998000000000, -0.0001137300000000 ] - [ 0.0000330900000000, 0.0001738800000000, 0.0000314000000000 ] - [ 0.0000599400000000, 0.0000955000000000, 0.0000558000000000 ] - [ 0.0001201500000000, 0.0000191100000000, -0.0000517000000000 ] - [ -0.0000639700000000, 0.0000448300000000, -0.0000247500000000 ] - [ 0.0003683800000000, 0.0004670800000000, -0.0001195100000000 ] - [ 0.0014604200000000, -0.0001197000000000, 0.0015145700000000 ] - [ -0.0001039300000000, 0.0003173900000000, -0.0000507200000000 ] - [ -0.0000406500000000, 0.0003811400000000, 0.0000917000000000 ] - [ -0.0001471500000000, -0.0000263400000000, 0.0003443700000000 ] - [ 0.0000182700000000, -0.0003958300000000, 0.0000264500000000 ] - [ -0.0000152800000000, -0.0004436500000000, 0.0001146700000000 ] - [ -0.0002073300000000, -0.0003260600000000, -0.0001139700000000 ] - [ -0.0013010800000000, 0.0007255600000000, -0.0017420900000000 ] - [ 0.0002961900000000, -0.0004057000000000, -0.0000313300000000 ] - [ 0.0002160700000000, -0.0003869700000000, -0.0000981400000000 ] - [ -0.0001073000000000, -0.0003469900000000, -0.0001001400000000 ] - [ 0.0001544000000000, 0.0003045300000000, -0.0000015800000000 ] - [ 0.0001061300000000, 0.0004073800000000, -0.0000347200000000 ] - [ 0.0001178100000000, 0.0004260700000000, -0.0001027500000000 ] - [ 0.0000963700000000, 0.0004341400000000, -0.0000652200000000 ] - [ 0.0001415800000000, 0.0001717500000000, -0.0007560800000000 ] - [ 0.0005698100000000, 0.0006504500000000, -0.0003440100000000 ] - [ 0.0006399500000000, 0.0006912200000000, -0.0004865500000000 ] - [ -0.0003807900000000, 0.0006601000000000, 0.0000709000000000 ] - [ 0.0004452500000000, -0.0006897900000000, -0.0001788500000000 ] - [ 0.0003846600000000, -0.0008036100000000, -0.0005477100000000 ] - [ 0.0003545800000000, -0.0006658300000000, -0.0004035000000000 ] - [ 0.0003708800000000, -0.0006304400000000, -0.0004130500000000 ] - [ -0.0001276500000000, -0.0007341200000000, 0.0002623800000000 ] - [ -0.0006327300000000, -0.0001308100000000, 0.0008236000000000 ] - [ 0.0000213300000000, -0.0006627600000000, -0.0001350500000000 ] - [ -0.0003110200000000, -0.0007455300000000, 0.0003907100000000 ] - [ -0.0005554000000000, 0.0007775800000000, 0.0005330800000000 ] - [ -0.0002290500000000, 0.0006908100000000, 0.0004103900000000 ] - [ -0.0002946700000000, 0.0006546300000000, 0.0003904200000000 ] - [ -0.0004348700000000, 0.0006597000000000, 0.0002619800000000 ] - [ -0.0671778800000000, -0.1000285200000000, -0.0344339900000000 ] - [ 0.0003656100000000, 0.0004154300000000, -0.0004941500000000 ] - [ 0.0001677300000000, 0.0004270300000000, -0.0004529100000000 ] - [ -0.0001239700000000, 0.0004248800000000, -0.0005124000000000 ] - [ 0.0002395000000000, -0.0003493800000000, -0.0005381200000000 ] - [ -0.0001113300000000, -0.0006777700000000, -0.0004304000000000 ] - [ 0.0000215800000000, -0.0004625800000000, -0.0004876000000000 ] - [ 0.0000863200000000, -0.0003715100000000, -0.0003982900000000 ] - [ 0.0005156900000000, -0.0007945400000000, 0.0005972000000000 ] - [ 0.0003917900000000, -0.0001264500000000, 0.0004793600000000 ] - [ -0.0000142400000000, -0.0004062200000000, 0.0004652200000000 ] - [ -0.0000408800000000, -0.0004335900000000, 0.0003231000000000 ] - [ -0.0002322700000000, 0.0007964600000000, 0.0003710500000000 ] - [ 0.0000917300000000, 0.0004555200000000, 0.0004797200000000 ] - [ 0.0000932300000000, 0.0004464300000000, 0.0004665900000000 ] - [ -0.0002293500000000, 0.0003633700000000, 0.0004363800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030344400000000, 0.0033509100000000, 0.0016987200000000 ] - [ 0.0005515900000000, 0.0004057000000000, -0.0001221400000000 ] - [ -0.0000090300000000, 0.0001170100000000, -0.0002134100000000 ] - [ -0.0000725200000000, 0.0000942500000000, -0.0003555900000000 ] - [ 0.0017220600000000, 0.0007788300000000, -0.0038137900000000 ] - [ -0.0002942800000000, 0.0000210500000000, -0.0003344000000000 ] - [ 0.0000540000000000, -0.0001538600000000, -0.0000712500000000 ] - [ -0.0001775100000000, -0.0000507100000000, 0.0005503200000000 ] - [ -0.0001711200000000, 0.0000025900000000, 0.0001414100000000 ] - [ 0.0009507200000000, 0.0016433800000000, 0.0010560400000000 ] - [ -0.0000213000000000, 0.0002090800000000, -0.0002529500000000 ] - [ -0.0000034100000000, -0.0000758000000000, 0.0001852300000000 ] - [ -0.0015962900000000, 0.0003478000000000, -0.0005038700000000 ] - [ 0.0007081000000000, 0.0002222400000000, 0.0002035200000000 ] - [ 0.0000925200000000, 0.0000547300000000, 0.0001052800000000 ] - [ -0.0003402200000000, 0.0005583000000000, 0.0009396100000000 ] - [ -0.0005486400000000, -0.0021254700000000, -0.0001760500000000 ] - [ -0.0002722000000000, -0.0000508700000000, 0.0002306500000000 ] - [ -0.0003529100000000, -0.0000442400000000, 0.0002030400000000 ] - [ -0.0002209200000000, -0.0002657300000000, 0.0002329000000000 ] - [ -0.0003350400000000, 0.0002996100000000, -0.0000009200000000 ] - [ -0.0003382500000000, 0.0001336000000000, 0.0001740300000000 ] - [ -0.0003526100000000, 0.0000432200000000, 0.0002158100000000 ] - [ -0.0003453000000000, 0.0000547600000000, 0.0002172000000000 ] - [ 0.0001872100000000, -0.0002822300000000, -0.0003559000000000 ] - [ 0.0005505900000000, -0.0005867000000000, -0.0004696200000000 ] - [ 0.0003392200000000, -0.0005529100000000, -0.0004397700000000 ] - [ 0.0004077900000000, -0.0001114800000000, -0.0001426800000000 ] - [ 0.0003932900000000, 0.0004235600000000, -0.0004675500000000 ] - [ 0.0003626700000000, 0.0000946500000000, -0.0002595300000000 ] - [ 0.0003541000000000, 0.0000715200000000, -0.0002655000000000 ] - [ 0.0003668800000000, 0.0001901300000000, -0.0003200700000000 ] - [ 0.0001099100000000, -0.0004075500000000, -0.0003966100000000 ] - [ 0.0001364800000000, -0.0004775300000000, -0.0006926100000000 ] - [ -0.0001062700000000, -0.0004421200000000, -0.0001776300000000 ] - [ 0.0000934400000000, -0.0004179000000000, -0.0001462700000000 ] - [ 0.0000978700000000, 0.0009106100000000, -0.0000993700000000 ] - [ -0.0000344100000000, 0.0004385100000000, -0.0001755100000000 ] - [ 0.0000600200000000, 0.0004210500000000, -0.0002888500000000 ] - [ 0.0000709000000000, 0.0004060900000000, -0.0003062400000000 ] - [ 0.0015274200000000, 0.0004243800000000, -0.0019255000000000 ] - [ 0.0000070200000000, 0.0003613400000000, 0.0002860100000000 ] - [ -0.0000770200000000, 0.0003997500000000, 0.0003266600000000 ] - [ 0.0000974600000000, 0.0004192800000000, 0.0003080700000000 ] - [ -0.0001296200000000, -0.0003196700000000, 0.0003568000000000 ] - [ -0.0000160600000000, -0.0003952400000000, 0.0002674400000000 ] - [ -0.0000040500000000, -0.0004192100000000, 0.0002188600000000 ] - [ -0.0000666700000000, -0.0004050300000000, 0.0002882700000000 ] - [ -0.0004444200000000, -0.0015822200000000, -0.0004788400000000 ] - [ -0.0001808600000000, -0.0005025900000000, -0.0000746000000000 ] - [ -0.0002646100000000, -0.0004748300000000, -0.0002027200000000 ] - [ -0.0002369200000000, -0.0005021300000000, -0.0001917900000000 ] - [ -0.0001965200000000, 0.0004976900000000, -0.0001500600000000 ] - [ -0.0003691200000000, 0.0005143600000000, -0.0003073800000000 ] - [ -0.0001893100000000, 0.0004861200000000, -0.0001091500000000 ] - [ -0.0001825100000000, 0.0004969300000000, -0.0001146000000000 ] - [ -0.0007298200000000, 0.0007146200000000, -0.0002638500000000 ] - [ 0.0003574300000000, 0.0003920900000000, 0.0003396400000000 ] - [ 0.0003166300000000, 0.0004667700000000, 0.0001585600000000 ] - [ 0.0001339100000000, 0.0005172900000000, 0.0001157100000000 ] - [ 0.0003635600000000, -0.0000702400000000, 0.0001540200000000 ] - [ 0.0002560400000000, -0.0004833100000000, 0.0001953200000000 ] - [ 0.0002177000000000, -0.0004756200000000, 0.0001611200000000 ] - [ 0.0003203200000000, -0.0004688500000000, 0.0002306600000000 ] - [ -0.1225341100000000, -0.3529617700000000, -0.0558926800000000 ] - [ 0.0003831500000000, 0.0000303600000000, -0.0000409400000000 ] - [ 0.0003763000000000, 0.0000439800000000, -0.0000541600000000 ] - [ 0.0003502900000000, -0.0000094400000000, -0.0000710200000000 ] - [ 0.0003536000000000, 0.0000467400000000, -0.0000624100000000 ] - [ 0.0003829600000000, 0.0000063100000000, -0.0000178900000000 ] - [ 0.0003421200000000, 0.0000467300000000, -0.0000505400000000 ] - [ 0.0003375400000000, 0.0000064500000000, -0.0000639600000000 ] - [ -0.0004164900000000, -0.0004960500000000, -0.0001181700000000 ] - [ -0.0000526500000000, -0.0004677800000000, 0.0003424700000000 ] - [ -0.0003291600000000, -0.0001268300000000, 0.0000021600000000 ] - [ -0.0003977900000000, -0.0001547000000000, 0.0000492900000000 ] - [ -0.0003519600000000, 0.0001143800000000, 0.0000306200000000 ] - [ -0.0003767800000000, 0.0002460300000000, -0.0000443000000000 ] - [ -0.0005092300000000, 0.0003104700000000, 0.0001620000000000 ] - [ -0.0003610700000000, 0.0001176200000000, 0.0000605700000000 ] - [ -0.0017397900000000, 0.0012221000000000, -0.0016665500000000 ] - [ -0.0000147400000000, 0.0003997700000000, -0.0001592200000000 ] - [ -0.0000109700000000, 0.0001080000000000, 0.0001153300000000 ] - [ 0.0000018700000000, 0.0003979000000000, 0.0000797100000000 ] - [ -0.0000461600000000, -0.0001645700000000, 0.0000234800000000 ] - [ 0.0000772600000000, -0.0006984300000000, 0.0001480900000000 ] - [ 0.0000097900000000, -0.0001786300000000, -0.0000349200000000 ] - [ -0.0000513800000000, -0.0000973300000000, -0.0000301100000000 ] - [ 0.0014531400000000, 0.0002425300000000, -0.0019390000000000 ] - [ -0.0000007400000000, 0.0000956800000000, -0.0000436300000000 ] - [ -0.0000707600000000, 0.0000058700000000, 0.0000160500000000 ] - [ 0.0002416200000000, 0.0001225200000000, 0.0001855800000000 ] - [ -0.0001119000000000, -0.0006325700000000, -0.0000288100000000 ] - [ 0.0000792200000000, -0.0001517100000000, -0.0000405600000000 ] - [ 0.0001077400000000, -0.0000777700000000, -0.0000151600000000 ] - [ -0.0000359000000000, -0.0000404300000000, 0.0000285000000000 ] - [ -0.0003132400000000, 0.0006855100000000, 0.0002448400000000 ] - [ 0.0008827300000000, 0.0011422500000000, 0.0007500300000000 ] - [ -0.0000679100000000, 0.0006481700000000, 0.0001090900000000 ] - [ -0.0001283200000000, 0.0004376700000000, -0.0000831800000000 ] - [ -0.0001220100000000, -0.0009007700000000, -0.0001014100000000 ] - [ -0.0001241700000000, -0.0004635400000000, -0.0000148500000000 ] - [ -0.0000990500000000, -0.0004441500000000, 0.0001128900000000 ] - [ -0.0000410500000000, -0.0006187300000000, 0.0002823500000000 ] - [ -0.0008585300000000, -0.0007130600000000, 0.0038941000000000 ] - [ 0.0000216100000000, -0.0002684900000000, -0.0000485500000000 ] - [ 0.0001272300000000, -0.0003383800000000, -0.0000615100000000 ] - [ -0.0000122800000000, -0.0002730500000000, -0.0001153100000000 ] - [ 0.0002191800000000, 0.0000122600000000, 0.0000207400000000 ] - [ -0.0000335300000000, 0.0002260400000000, -0.0000854900000000 ] - [ 0.0000357800000000, 0.0002679900000000, -0.0000087100000000 ] - [ 0.0001529800000000, 0.0002597100000000, -0.0000221200000000 ] - [ 0.0006550200000000, 0.0018929300000000, -0.0006495900000000 ] - [ 0.0001706600000000, 0.0006902400000000, -0.0004976400000000 ] - [ 0.0003169100000000, 0.0006996300000000, -0.0002353400000000 ] - [ 0.0002705100000000, 0.0009674100000000, 0.0000184900000000 ] - [ -0.0000140300000000, -0.0013797300000000, -0.0002336100000000 ] - [ 0.0005847700000000, -0.0008523400000000, -0.0002678500000000 ] - [ 0.0003329300000000, -0.0006999200000000, -0.0003482500000000 ] - [ 0.0003059900000000, -0.0007231700000000, -0.0003766700000000 ] - [ -0.0001014000000000, -0.0005297200000000, 0.0004001300000000 ] - [ -0.0006931600000000, -0.0003031800000000, 0.0003986100000000 ] - [ -0.0015579100000000, -0.0005530000000000, 0.0020477000000000 ] - [ -0.0003396600000000, -0.0004461900000000, 0.0003323600000000 ] - [ -0.0002132700000000, 0.0000577300000000, 0.0004523500000000 ] - [ -0.0004046100000000, 0.0005787900000000, 0.0003655600000000 ] - [ -0.0003827700000000, 0.0006247900000000, 0.0004288300000000 ] - [ -0.0003765300000000, 0.0004687400000000, 0.0003593800000000 ] - [ 0.1248662900000000, 0.3490432000000000, 0.0566758500000000 ] - [ -0.0000472400000000, 0.0004919100000000, -0.0005446700000000 ] - [ 0.0000178300000000, 0.0004619500000000, -0.0004521100000000 ] - [ 0.0000526000000000, 0.0005465000000000, -0.0004796300000000 ] - [ -0.0001880400000000, -0.0006399500000000, -0.0003767600000000 ] - [ 0.0001210400000000, -0.0005335200000000, -0.0003302900000000 ] - [ 0.0001048400000000, -0.0005579100000000, -0.0007585200000000 ] - [ -0.0000532700000000, -0.0005531700000000, -0.0005863000000000 ] - [ 0.0007879200000000, -0.0003308000000000, 0.0008630900000000 ] - [ -0.0004681100000000, -0.0002321600000000, 0.0001679800000000 ] - [ -0.0001211500000000, -0.0004051500000000, 0.0005763300000000 ] - [ 0.0001379400000000, -0.0003765100000000, 0.0004439100000000 ] - [ 0.0001631100000000, -0.0001628800000000, 0.0006269400000000 ] - [ -0.0000711200000000, 0.0003948200000000, 0.0004691800000000 ] - [ -0.0000059000000000, 0.0004073600000000, 0.0004962900000000 ] - [ -0.0000673300000000, 0.0001486400000000, 0.0003772200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029506600000000, -0.0031547100000000, -0.0019891000000000 ] - [ -0.0005782600000000, -0.0002190200000000, -0.0001839500000000 ] - [ -0.0000298300000000, 0.0000654100000000, -0.0000971800000000 ] - [ 0.0000312700000000, 0.0000872700000000, 0.0000417200000000 ] - [ -0.0017382900000000, -0.0009511900000000, 0.0034293100000000 ] - [ 0.0002501500000000, -0.0002016900000000, 0.0000225700000000 ] - [ -0.0000908400000000, -0.0000297800000000, -0.0002361900000000 ] - [ 0.0001329700000000, -0.0001335400000000, -0.0008457800000000 ] - [ 0.0002097400000000, -0.0001830200000000, 0.0001670400000000 ] - [ -0.0008960200000000, -0.0017947100000000, -0.0007244700000000 ] - [ 0.0000591300000000, -0.0003834300000000, 0.0005507700000000 ] - [ 0.0000433300000000, -0.0001055800000000, 0.0001236900000000 ] - [ 0.0015998300000000, -0.0001606300000000, 0.0008039500000000 ] - [ -0.0006511000000000, -0.0000365900000000, 0.0001069900000000 ] - [ -0.0000511200000000, 0.0001269100000000, 0.0002016400000000 ] - [ 0.0003730200000000, -0.0003675100000000, -0.0006191800000000 ] - [ -0.0001585500000000, 0.0021361200000000, 0.0006504400000000 ] - [ -0.0004279700000000, 0.0001010900000000, 0.0002525000000000 ] - [ -0.0003486600000000, 0.0000946600000000, 0.0002793700000000 ] - [ -0.0004789600000000, 0.0003131000000000, 0.0002498600000000 ] - [ -0.0003672900000000, -0.0003424900000000, 0.0004775700000000 ] - [ -0.0003632900000000, -0.0001822500000000, 0.0003084000000000 ] - [ -0.0003493000000000, -0.0000941300000000, 0.0002671700000000 ] - [ -0.0003564200000000, -0.0001055800000000, 0.0002660500000000 ] - [ 0.0005119400000000, 0.0002255300000000, -0.0001301200000000 ] - [ 0.0001524600000000, 0.0005280900000000, -0.0000172600000000 ] - [ 0.0003622100000000, 0.0004869600000000, -0.0000488800000000 ] - [ 0.0002949400000000, 0.0000573000000000, -0.0003395800000000 ] - [ 0.0003091900000000, -0.0003614300000000, -0.0000209800000000 ] - [ 0.0003395800000000, -0.0000411300000000, -0.0002241300000000 ] - [ 0.0003477200000000, -0.0000199900000000, -0.0002179100000000 ] - [ 0.0003350500000000, -0.0001360100000000, -0.0001646000000000 ] - [ -0.0000295100000000, -0.0004278500000000, -0.0001258900000000 ] - [ -0.0000560400000000, -0.0003582800000000, 0.0001657700000000 ] - [ 0.0001837300000000, -0.0003944300000000, -0.0003409800000000 ] - [ -0.0000142700000000, -0.0004180300000000, -0.0003703700000000 ] - [ -0.0000128000000000, -0.0000589200000000, -0.0004119800000000 ] - [ 0.0001116000000000, 0.0003978400000000, -0.0003415400000000 ] - [ 0.0000196500000000, 0.0004148000000000, -0.0002317000000000 ] - [ 0.0000086800000000, 0.0004294700000000, -0.0002144200000000 ] - [ -0.0015697700000000, 0.0004110800000000, 0.0023931300000000 ] - [ -0.0000853200000000, 0.0004734800000000, 0.0002343800000000 ] - [ -0.0000015300000000, 0.0004358200000000, 0.0001928200000000 ] - [ -0.0001722800000000, 0.0004171500000000, 0.0002096600000000 ] - [ 0.0000488100000000, -0.0005142900000000, 0.0001651100000000 ] - [ -0.0000620300000000, -0.0004399000000000, 0.0002522800000000 ] - [ -0.0000723100000000, -0.0004169600000000, 0.0002977600000000 ] - [ -0.0000116700000000, -0.0004306900000000, 0.0002304300000000 ] - [ 0.0002224300000000, 0.0007988800000000, 0.0003394300000000 ] - [ -0.0003029200000000, -0.0004590900000000, -0.0002737900000000 ] - [ -0.0002216400000000, -0.0004861200000000, -0.0001491400000000 ] - [ -0.0002495700000000, -0.0004592300000000, -0.0001603700000000 ] - [ -0.0002880400000000, 0.0004640700000000, -0.0002008400000000 ] - [ -0.0001206700000000, 0.0004465700000000, -0.0000472900000000 ] - [ -0.0002965600000000, 0.0004747800000000, -0.0002414300000000 ] - [ -0.0003019900000000, 0.0004646800000000, -0.0002351500000000 ] - [ 0.0012005300000000, 0.0002474400000000, 0.0006062200000000 ] - [ 0.0001313800000000, 0.0005677200000000, 0.0000149600000000 ] - [ 0.0001713700000000, 0.0004941300000000, 0.0001922100000000 ] - [ 0.0003492100000000, 0.0004449400000000, 0.0002336800000000 ] - [ 0.0001242700000000, -0.0008809400000000, 0.0001962600000000 ] - [ 0.0002309200000000, -0.0004776900000000, 0.0001568100000000 ] - [ 0.0002680700000000, -0.0004853700000000, 0.0001897100000000 ] - [ 0.0001669700000000, -0.0004918600000000, 0.0001212500000000 ] - [ 0.1346329400000000, 0.3776106300000000, 0.0606168000000000 ] - [ 0.0003461200000000, 0.0001220200000000, -0.0000531500000000 ] - [ 0.0003526300000000, 0.0001086800000000, -0.0000406300000000 ] - [ 0.0003779500000000, 0.0001611400000000, -0.0000243000000000 ] - [ 0.0003750700000000, -0.0001976600000000, -0.0000323300000000 ] - [ 0.0003465000000000, -0.0001577500000000, -0.0000754400000000 ] - [ 0.0003862300000000, -0.0001974800000000, -0.0000444100000000 ] - [ 0.0003902400000000, -0.0001575100000000, -0.0000309100000000 ] - [ -0.0003097000000000, 0.0003356600000000, 0.0002101200000000 ] - [ -0.0006710700000000, 0.0003068700000000, -0.0002412900000000 ] - [ -0.0003986300000000, -0.0000271400000000, 0.0000907900000000 ] - [ -0.0003313700000000, -0.0000001900000000, 0.0000448200000000 ] - [ -0.0003762000000000, 0.0000396300000000, 0.0000632300000000 ] - [ -0.0003519100000000, -0.0000888800000000, 0.0001362600000000 ] - [ -0.0002237700000000, -0.0001503900000000, -0.0000639100000000 ] - [ -0.0003671600000000, 0.0000363400000000, 0.0000340600000000 ] - [ 0.0016864200000000, -0.0011115100000000, 0.0016491100000000 ] - [ -0.0000236100000000, -0.0002914300000000, 0.0001582900000000 ] - [ -0.0000259500000000, -0.0000054200000000, -0.0001103900000000 ] - [ -0.0000383500000000, -0.0002895400000000, -0.0000745300000000 ] - [ 0.0000082300000000, 0.0000611500000000, -0.0000203700000000 ] - [ -0.0001067000000000, 0.0005823700000000, -0.0001400500000000 ] - [ -0.0000453100000000, 0.0000748600000000, 0.0000367300000000 ] - [ 0.0000136000000000, -0.0000048300000000, 0.0000321100000000 ] - [ -0.0013750300000000, -0.0003639400000000, 0.0018559000000000 ] - [ 0.0000362700000000, -0.0001943700000000, 0.0000401400000000 ] - [ 0.0001052400000000, -0.0001060800000000, -0.0000176600000000 ] - [ -0.0001991000000000, -0.0002205500000000, -0.0001831500000000 ] - [ 0.0001457000000000, 0.0007209800000000, 0.0000249600000000 ] - [ -0.0000418100000000, 0.0002490300000000, 0.0000364500000000 ] - [ -0.0000695700000000, 0.0001768900000000, 0.0000126500000000 ] - [ 0.0000716900000000, 0.0001401800000000, -0.0000295600000000 ] - [ 0.0001094800000000, 0.0000983700000000, -0.0001331400000000 ] - [ -0.0010724100000000, -0.0003624500000000, -0.0006376900000000 ] - [ -0.0001301300000000, 0.0001368800000000, 0.0000017200000000 ] - [ -0.0000702200000000, 0.0003423700000000, 0.0001885400000000 ] - [ -0.0000753700000000, 0.0001063800000000, 0.0001974600000000 ] - [ -0.0000752400000000, -0.0003165900000000, 0.0001206900000000 ] - [ -0.0000994200000000, -0.0003352500000000, -0.0000038500000000 ] - [ -0.0001558000000000, -0.0001638600000000, -0.0001700300000000 ] - [ 0.0009935200000000, -0.0001539200000000, -0.0038367600000000 ] - [ 0.0001744300000000, -0.0005080000000000, -0.0000599500000000 ] - [ 0.0000710100000000, -0.0004391800000000, -0.0000456400000000 ] - [ 0.0002083000000000, -0.0005034400000000, 0.0000084000000000 ] - [ -0.0000188500000000, 0.0007588400000000, -0.0001263100000000 ] - [ 0.0002293300000000, 0.0005495200000000, -0.0000230200000000 ] - [ 0.0001603200000000, 0.0005082800000000, -0.0000968000000000 ] - [ 0.0000460200000000, 0.0005163400000000, -0.0000845800000000 ] - [ 0.0000502900000000, -0.0005534500000000, -0.0001212500000000 ] - [ 0.0005266800000000, 0.0006242000000000, -0.0002772000000000 ] - [ 0.0003825700000000, 0.0006141500000000, -0.0005331200000000 ] - [ 0.0004277500000000, 0.0003460700000000, -0.0007812500000000 ] - [ 0.0007026700000000, 0.0000479900000000, -0.0005346400000000 ] - [ 0.0001196100000000, -0.0004650300000000, -0.0005035600000000 ] - [ 0.0003652700000000, -0.0006096700000000, -0.0004212400000000 ] - [ 0.0003924500000000, -0.0005876400000000, -0.0003939800000000 ] - [ -0.0005956100000000, -0.0007807400000000, 0.0003734900000000 ] - [ -0.0000133800000000, -0.0010058500000000, 0.0003747100000000 ] - [ 0.0008308900000000, -0.0007535200000000, -0.0012371200000000 ] - [ -0.0003585600000000, -0.0008593900000000, 0.0004380500000000 ] - [ -0.0004823900000000, 0.0012392400000000, 0.0003193500000000 ] - [ -0.0002969200000000, 0.0007307100000000, 0.0004048100000000 ] - [ -0.0003198500000000, 0.0006895400000000, 0.0003451000000000 ] - [ -0.0003252000000000, 0.0008430400000000, 0.0004134400000000 ] - [ -0.1364101100000000, -0.3727583600000000, -0.0626777600000000 ] - [ 0.0000820200000000, 0.0003900900000000, -0.0004131700000000 ] - [ 0.0000188700000000, 0.0004198100000000, -0.0005029500000000 ] - [ -0.0000141200000000, 0.0003367100000000, -0.0004755300000000 ] - [ 0.0002208500000000, -0.0002446600000000, -0.0005763100000000 ] - [ -0.0000811300000000, -0.0003496700000000, -0.0006216900000000 ] - [ -0.0000666900000000, -0.0003248400000000, -0.0002011800000000 ] - [ 0.0000884400000000, -0.0003296400000000, -0.0003723100000000 ] - [ -0.0008138000000000, -0.0005455700000000, 0.0000987500000000 ] - [ 0.0004219500000000, -0.0006451100000000, 0.0007804800000000 ] - [ 0.0000816500000000, -0.0004754300000000, 0.0003825500000000 ] - [ -0.0001717100000000, -0.0005031100000000, 0.0005123200000000 ] - [ -0.0001939300000000, 0.0010285900000000, 0.0003319200000000 ] - [ 0.0000322000000000, 0.0004851400000000, 0.0004860600000000 ] - [ -0.0000312800000000, 0.0004728000000000, 0.0004600000000000 ] - [ 0.0000299400000000, 0.0007263100000000, 0.0005771200000000 ]- atom: 65 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ -0.0004513900000000, 0.0033512400000000, 0.0001519900000000 ] - [ -0.0001760500000000, -0.0000176500000000, -0.0003887000000000 ] - [ -0.0002273200000000, 0.0000436300000000, 0.0000915000000000 ] - [ 0.0002173000000000, 0.0000897800000000, 0.0001576700000000 ] - [ -0.0017883000000000, -0.0041185900000000, 0.0021984900000000 ] - [ -0.0004371500000000, 0.0000192000000000, -0.0003158000000000 ] - [ -0.0002803300000000, 0.0000338300000000, 0.0000487600000000 ] - [ 0.0004355800000000, 0.0001389100000000, -0.0000173900000000 ] - [ -0.0004881200000000, 0.0000899500000000, -0.0000455900000000 ] - [ 0.0010101300000000, -0.0001774200000000, -0.0018545400000000 ] - [ 0.0001702400000000, -0.0002689200000000, 0.0008886800000000 ] - [ -0.0000940000000000, -0.0001106000000000, 0.0003808300000000 ] - [ 0.0017067900000000, -0.0002612400000000, 0.0000485400000000 ] - [ -0.0007459300000000, -0.0001609300000000, 0.0002137800000000 ] - [ -0.0000014500000000, 0.0000752500000000, 0.0001801800000000 ] - [ -0.0004786400000000, 0.0007777000000000, 0.0016524900000000 ] - [ -0.0003932500000000, 0.0008575200000000, 0.0021257900000000 ] - [ -0.0004020800000000, 0.0000040100000000, 0.0002198800000000 ] - [ -0.0003923600000000, 0.0000619200000000, 0.0002625100000000 ] - [ -0.0002003200000000, 0.0000037300000000, 0.0005177200000000 ] - [ -0.0004111100000000, 0.0001177000000000, 0.0000019200000000 ] - [ -0.0003555000000000, 0.0000128000000000, 0.0001616100000000 ] - [ -0.0003516700000000, -0.0000790700000000, 0.0003057200000000 ] - [ -0.0003498200000000, -0.0000847000000000, 0.0003081800000000 ] - [ 0.0001052300000000, -0.0000540600000000, -0.0002006300000000 ] - [ 0.0005604300000000, -0.0004241000000000, -0.0005083800000000 ] - [ 0.0003442000000000, 0.0003085100000000, -0.0000251200000000 ] - [ 0.0003382500000000, 0.0000307300000000, -0.0002149900000000 ] - [ 0.0003803300000000, -0.0000624100000000, -0.0002110300000000 ] - [ 0.0003212800000000, 0.0000351500000000, -0.0002709500000000 ] - [ 0.0003340900000000, 0.0000107400000000, -0.0002156200000000 ] - [ 0.0003681800000000, -0.0000139800000000, -0.0001605700000000 ] - [ -0.0001314900000000, -0.0004379000000000, -0.0000498600000000 ] - [ 0.0007769500000000, -0.0004718200000000, -0.0006234500000000 ] - [ -0.0003584300000000, -0.0005342200000000, 0.0001601300000000 ] - [ -0.0000154000000000, -0.0004188900000000, -0.0002146000000000 ] - [ 0.0000489900000000, 0.0005630300000000, -0.0001500600000000 ] - [ -0.0000018100000000, 0.0004145800000000, -0.0002650900000000 ] - [ -0.0000031200000000, 0.0004241500000000, -0.0001883800000000 ] - [ -0.0000088600000000, 0.0004227800000000, -0.0001384700000000 ] - [ -0.0012635000000000, 0.0005212400000000, 0.0019549100000000 ] - [ -0.0000380200000000, 0.0004303500000000, 0.0002221100000000 ] - [ -0.0001974200000000, 0.0003953800000000, 0.0004666800000000 ] - [ 0.0002277400000000, 0.0004302700000000, 0.0003634500000000 ] - [ 0.0000985700000000, -0.0002239900000000, -0.0000789800000000 ] - [ -0.0000618200000000, -0.0004434200000000, 0.0001899000000000 ] - [ -0.0001050500000000, -0.0004128300000000, 0.0003720100000000 ] - [ -0.0000900900000000, -0.0004112900000000, 0.0004040900000000 ] - [ -0.0000637700000000, -0.0022682100000000, -0.0017499600000000 ] - [ -0.0004940000000000, -0.0004187000000000, -0.0003848600000000 ] - [ -0.0002797300000000, -0.0004779100000000, -0.0001557100000000 ] - [ -0.0000726500000000, -0.0005197400000000, 0.0000094400000000 ] - [ -0.0003763900000000, 0.0004503300000000, -0.0002842800000000 ] - [ -0.0001404200000000, 0.0005335000000000, -0.0001721800000000 ] - [ -0.0001799100000000, 0.0005423700000000, -0.0000847100000000 ] - [ -0.0002589000000000, 0.0004747800000000, -0.0001768500000000 ] - [ -0.0010567500000000, 0.0010989400000000, -0.0008108400000000 ] - [ 0.0000136200000000, 0.0005282800000000, -0.0000633900000000 ] - [ 0.0002034900000000, 0.0004740200000000, 0.0002413800000000 ] - [ 0.0005016000000000, 0.0004175500000000, 0.0004106200000000 ] - [ 0.0001646000000000, -0.0009174800000000, 0.0002767800000000 ] - [ 0.0001881900000000, -0.0004871400000000, 0.0001305900000000 ] - [ 0.0001725400000000, -0.0004769200000000, 0.0001581000000000 ] - [ 0.0004435200000000, -0.0004896300000000, 0.0003115500000000 ] - [ 0.0259686300000000, 0.0444855700000000, 0.0026401100000000 ] - [ 0.0002588100000000, 0.0000682600000000, -0.0000956000000000 ] - [ 0.0003245900000000, 0.0000633300000000, 0.0000164800000000 ] - [ 0.0003594100000000, 0.0000688800000000, 0.0001147700000000 ] - [ 0.0003261400000000, -0.0000895300000000, -0.0000135600000000 ] - [ 0.0003581700000000, -0.0000823100000000, -0.0000625300000000 ] - [ 0.0003535200000000, -0.0000730000000000, 0.0000126000000000 ] - [ 0.0003645200000000, -0.0000845600000000, -0.0000564700000000 ] - [ -0.0006670800000000, -0.0001604400000000, -0.0001293900000000 ] - [ -0.0008812300000000, -0.0000780000000000, -0.0001652400000000 ] - [ -0.0003448400000000, -0.0001328300000000, 0.0001532000000000 ] - [ -0.0004007400000000, -0.0000525000000000, 0.0001405900000000 ] - [ -0.0003986000000000, 0.0000967900000000, 0.0000511200000000 ] - [ -0.0003710400000000, 0.0001344700000000, -0.0000151600000000 ] - [ -0.0002038800000000, -0.0001017800000000, -0.0000465600000000 ] - [ -0.0003919900000000, 0.0000689800000000, 0.0000705900000000 ] - [ -0.0000317800000000, -0.0000535400000000, 0.0004862700000000 ] - [ 0.0004347100000000, -0.0001307900000000, -0.0000607000000000 ] - [ -0.0000082300000000, 0.0000632400000000, 0.0000121300000000 ] - [ 0.0000930500000000, 0.0002540000000000, -0.0003580400000000 ] - [ 0.0001248200000000, -0.0000575000000000, 0.0000693000000000 ] - [ -0.0002909600000000, 0.0000358100000000, 0.0002213400000000 ] - [ -0.0000820300000000, -0.0000441800000000, -0.0001352600000000 ] - [ 0.0000557700000000, -0.0000561700000000, -0.0000773600000000 ] - [ 0.0007482300000000, -0.0029516700000000, -0.0021311900000000 ] - [ 0.0002469300000000, -0.0000389300000000, 0.0001173900000000 ] - [ 0.0001415900000000, -0.0000385800000000, -0.0001191600000000 ] - [ -0.0002279200000000, -0.0000462600000000, -0.0003869300000000 ] - [ 0.0001455100000000, 0.0003019400000000, 0.0001606300000000 ] - [ -0.0000125400000000, 0.0001001200000000, 0.0001375300000000 ] - [ 0.0001906700000000, -0.0000476500000000, -0.0001327400000000 ] - [ -0.0000803400000000, 0.0000285000000000, -0.0001350700000000 ] - [ 0.0004154300000000, 0.0005758000000000, 0.0000830700000000 ] - [ 0.0000978800000000, 0.0002687300000000, 0.0012642700000000 ] - [ 0.0000189400000000, 0.0002526400000000, -0.0003703700000000 ] - [ -0.0000938700000000, 0.0003775200000000, -0.0000567900000000 ] - [ -0.0001815300000000, 0.0000842200000000, 0.0004070400000000 ] - [ 0.0000057400000000, -0.0004075200000000, 0.0000784600000000 ] - [ -0.0000225600000000, -0.0004013100000000, 0.0000302300000000 ] - [ -0.0001905900000000, -0.0003152600000000, -0.0001903000000000 ] - [ -0.0001195700000000, 0.0022286500000000, -0.0022459800000000 ] - [ 0.0002843100000000, -0.0003855900000000, 0.0000710500000000 ] - [ 0.0002286600000000, -0.0003925900000000, -0.0002010000000000 ] - [ -0.0001560900000000, -0.0004224000000000, -0.0004438600000000 ] - [ 0.0002138600000000, 0.0000556200000000, 0.0001927400000000 ] - [ 0.0000975400000000, 0.0003784900000000, 0.0000298500000000 ] - [ 0.0001576600000000, 0.0004532800000000, -0.0001948300000000 ] - [ 0.0000675600000000, 0.0004721800000000, -0.0002031600000000 ] - [ 0.0004696500000000, -0.0001525000000000, -0.0015033900000000 ] - [ 0.0004807400000000, 0.0006606100000000, -0.0003860800000000 ] - [ 0.0005733100000000, 0.0006692400000000, -0.0005125900000000 ] - [ -0.0003506500000000, 0.0008427400000000, -0.0005521900000000 ] - [ 0.0001682900000000, -0.0010191300000000, 0.0000835700000000 ] - [ 0.0004445400000000, -0.0006973000000000, -0.0003113900000000 ] - [ 0.0003593500000000, -0.0006502000000000, -0.0005261400000000 ] - [ 0.0003550300000000, -0.0006345200000000, -0.0005707800000000 ] - [ 0.0000925600000000, -0.0007085200000000, 0.0002305600000000 ] - [ -0.0007912100000000, -0.0004825200000000, 0.0005213000000000 ] - [ 0.0005217800000000, -0.0007078400000000, -0.0009258100000000 ] - [ -0.0004300700000000, -0.0007396500000000, 0.0003111000000000 ] - [ -0.0006628500000000, 0.0007879100000000, 0.0008687700000000 ] - [ -0.0002084000000000, 0.0006835000000000, 0.0005325700000000 ] - [ -0.0002809600000000, 0.0006594200000000, 0.0002733700000000 ] - [ -0.0004884900000000, 0.0005975100000000, 0.0000376200000000 ] - [ -0.0245385700000000, -0.0420761900000000, -0.0022874000000000 ] - [ 0.0003170200000000, 0.0004175000000000, -0.0002902300000000 ] - [ 0.0001179800000000, 0.0004409700000000, -0.0005790400000000 ] - [ -0.0001148900000000, 0.0004525800000000, -0.0007467900000000 ] - [ 0.0003150800000000, -0.0003345500000000, -0.0005527200000000 ] - [ -0.0000411600000000, -0.0004976600000000, -0.0004446100000000 ] - [ 0.0000650500000000, -0.0004997800000000, -0.0005737000000000 ] - [ 0.0000091700000000, -0.0004379600000000, -0.0004361600000000 ] - [ 0.0008574800000000, -0.0007483100000000, 0.0014050500000000 ] - [ 0.0004448800000000, -0.0003376800000000, 0.0008778200000000 ] - [ 0.0000008900000000, -0.0004000700000000, 0.0002966900000000 ] - [ -0.0000745000000000, -0.0003810800000000, 0.0000694400000000 ] - [ -0.0002650600000000, 0.0010291000000000, 0.0002149600000000 ] - [ 0.0001052400000000, 0.0004714100000000, 0.0004524600000000 ] - [ 0.0000900600000000, 0.0004239000000000, 0.0004780900000000 ] - [ -0.0003760900000000, 0.0001567800000000, 0.0004451400000000 ]- atom: 65 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ 0.0003954400000000, -0.0031838300000000, -0.0004360700000000 ] - [ 0.0001449300000000, 0.0002020100000000, 0.0000774300000000 ] - [ 0.0001864800000000, 0.0001380900000000, -0.0003984300000000 ] - [ -0.0002558800000000, 0.0000917500000000, -0.0004673900000000 ] - [ 0.0017491600000000, 0.0038915800000000, -0.0025008200000000 ] - [ 0.0003923000000000, -0.0001994500000000, 0.0000049100000000 ] - [ 0.0002426200000000, -0.0002163100000000, -0.0003571500000000 ] - [ -0.0004807500000000, -0.0003216500000000, -0.0002826900000000 ] - [ 0.0005262200000000, -0.0002709700000000, 0.0003527400000000 ] - [ -0.0009639700000000, -0.0000006100000000, 0.0021650800000000 ] - [ -0.0001301600000000, 0.0000881400000000, -0.0005804600000000 ] - [ 0.0001338800000000, -0.0000715500000000, -0.0000705400000000 ] - [ -0.0016782400000000, 0.0004390100000000, 0.0002590800000000 ] - [ 0.0007890600000000, 0.0003434200000000, 0.0000950200000000 ] - [ 0.0000415400000000, 0.0001063400000000, 0.0001274100000000 ] - [ 0.0005132200000000, -0.0005914700000000, -0.0013348200000000 ] - [ -0.0003117100000000, -0.0008108100000000, -0.0016605200000000 ] - [ -0.0002983400000000, 0.0000469100000000, 0.0002632600000000 ] - [ -0.0003095000000000, -0.0000098800000000, 0.0002208200000000 ] - [ -0.0005004100000000, 0.0000475900000000, -0.0000330600000000 ] - [ -0.0002920500000000, -0.0001644700000000, 0.0004769000000000 ] - [ -0.0003462900000000, -0.0000639100000000, 0.0003215500000000 ] - [ -0.0003501700000000, 0.0000264200000000, 0.0001780800000000 ] - [ -0.0003520300000000, 0.0000319000000000, 0.0001761000000000 ] - [ 0.0005950800000000, 0.0000017700000000, -0.0002827800000000 ] - [ 0.0001418800000000, 0.0003682800000000, 0.0000214000000000 ] - [ 0.0003579500000000, -0.0003622300000000, -0.0004596400000000 ] - [ 0.0003643900000000, -0.0000839500000000, -0.0002670700000000 ] - [ 0.0003217800000000, 0.0001200300000000, -0.0002752500000000 ] - [ 0.0003807300000000, 0.0000175000000000, -0.0002127500000000 ] - [ 0.0003676300000000, 0.0000401600000000, -0.0002673800000000 ] - [ 0.0003335200000000, 0.0000645100000000, -0.0003219400000000 ] - [ 0.0002093900000000, -0.0003978700000000, -0.0004683900000000 ] - [ -0.0006942900000000, -0.0003636500000000, 0.0000959700000000 ] - [ 0.0004398200000000, -0.0003008400000000, -0.0006807700000000 ] - [ 0.0000945200000000, -0.0004169800000000, -0.0003025200000000 ] - [ 0.0000365000000000, 0.0002870800000000, -0.0003651200000000 ] - [ 0.0000802800000000, 0.0004211400000000, -0.0002532700000000 ] - [ 0.0000825100000000, 0.0004114900000000, -0.0003315800000000 ] - [ 0.0000873800000000, 0.0004128800000000, -0.0003802600000000 ] - [ 0.0011885900000000, 0.0003134500000000, -0.0014389700000000 ] - [ -0.0000399500000000, 0.0004045400000000, 0.0002975300000000 ] - [ 0.0001182100000000, 0.0004402200000000, 0.0000531300000000 ] - [ -0.0003027600000000, 0.0004060600000000, 0.0001540400000000 ] - [ -0.0001774800000000, -0.0006108700000000, 0.0005979300000000 ] - [ -0.0000167700000000, -0.0003922300000000, 0.0003295000000000 ] - [ 0.0000277400000000, -0.0004233700000000, 0.0001459100000000 ] - [ 0.0000116100000000, -0.0004246600000000, 0.0001152700000000 ] - [ -0.0003668800000000, 0.0013588200000000, 0.0013845900000000 ] - [ 0.0000092200000000, -0.0005427800000000, 0.0000352900000000 ] - [ -0.0002064400000000, -0.0004832400000000, -0.0001957100000000 ] - [ -0.0004124600000000, -0.0004416800000000, -0.0003598300000000 ] - [ -0.0001102400000000, 0.0005107300000000, -0.0000682700000000 ] - [ -0.0003472200000000, 0.0004275800000000, -0.0001810500000000 ] - [ -0.0003064900000000, 0.0004182600000000, -0.0002668000000000 ] - [ -0.0002259400000000, 0.0004865300000000, -0.0001733100000000 ] - [ 0.0015338200000000, -0.0001342000000000, 0.0011532500000000 ] - [ 0.0004725300000000, 0.0004320300000000, 0.0004152800000000 ] - [ 0.0002831500000000, 0.0004869700000000, 0.0001102000000000 ] - [ -0.0000157200000000, 0.0005436300000000, -0.0000590300000000 ] - [ 0.0003217200000000, -0.0000406400000000, 0.0000732700000000 ] - [ 0.0002982300000000, -0.0004741200000000, 0.0002209200000000 ] - [ 0.0003130300000000, -0.0004842700000000, 0.0001927800000000 ] - [ 0.0000441100000000, -0.0004716800000000, 0.0000404800000000 ] - [ -0.0271142900000000, -0.0472537100000000, -0.0025453900000000 ] - [ 0.0004693400000000, 0.0000848600000000, 0.0000008000000000 ] - [ 0.0004040900000000, 0.0000895100000000, -0.0001107200000000 ] - [ 0.0003689500000000, 0.0000839700000000, -0.0002090100000000 ] - [ 0.0004027400000000, -0.0000635900000000, -0.0000810400000000 ] - [ 0.0003710200000000, -0.0000701000000000, -0.0000313200000000 ] - [ 0.0003749700000000, -0.0000801200000000, -0.0001069900000000 ] - [ 0.0003636300000000, -0.0000677300000000, -0.0000382400000000 ] - [ -0.0000609100000000, 0.0000050000000000, 0.0002194300000000 ] - [ 0.0001539100000000, -0.0000776500000000, 0.0002636400000000 ] - [ -0.0003832500000000, -0.0000205700000000, -0.0000592500000000 ] - [ -0.0003284000000000, -0.0001013000000000, -0.0000453900000000 ] - [ -0.0003299100000000, 0.0000566200000000, 0.0000430300000000 ] - [ -0.0003573300000000, 0.0000203700000000, 0.0001075400000000 ] - [ -0.0005271300000000, 0.0002584900000000, 0.0001436900000000 ] - [ -0.0003363300000000, 0.0000841000000000, 0.0000239200000000 ] - [ -0.0000269700000000, 0.0001641600000000, -0.0005018600000000 ] - [ -0.0004739500000000, 0.0002332300000000, 0.0000627100000000 ] - [ -0.0000284800000000, 0.0000382800000000, -0.0000079800000000 ] - [ -0.0001283100000000, -0.0001520000000000, 0.0003583000000000 ] - [ -0.0001609600000000, -0.0000444700000000, -0.0000652900000000 ] - [ 0.0002575000000000, -0.0001442900000000, -0.0002135700000000 ] - [ 0.0000464000000000, -0.0000577600000000, 0.0001370000000000 ] - [ -0.0000927000000000, -0.0000454900000000, 0.0000793700000000 ] - [ -0.0007152900000000, 0.0028192100000000, 0.0021114800000000 ] - [ -0.0002094100000000, -0.0000612700000000, -0.0001201000000000 ] - [ -0.0001056900000000, -0.0000625900000000, 0.0001163800000000 ] - [ 0.0002663200000000, -0.0000540800000000, 0.0003841600000000 ] - [ -0.0001100000000000, -0.0002028000000000, -0.0001632200000000 ] - [ 0.0000488500000000, -0.0000003800000000, -0.0001404900000000 ] - [ -0.0001530900000000, 0.0001483100000000, 0.0001291900000000 ] - [ 0.0001158200000000, 0.0000724000000000, 0.0001324300000000 ] - [ -0.0006089600000000, 0.0002048400000000, 0.0000268500000000 ] - [ -0.0002811300000000, 0.0005101800000000, -0.0011540000000000 ] - [ -0.0002181500000000, 0.0005268800000000, 0.0004798800000000 ] - [ -0.0001045800000000, 0.0004015600000000, 0.0001620700000000 ] - [ -0.0000143500000000, -0.0008740200000000, -0.0003089800000000 ] - [ -0.0002049300000000, -0.0003720700000000, 0.0000286400000000 ] - [ -0.0001754200000000, -0.0003779300000000, 0.0000782800000000 ] - [ -0.0000085800000000, -0.0004620800000000, 0.0002958600000000 ] - [ 0.0003396300000000, -0.0030462400000000, 0.0021544500000000 ] - [ -0.0000871100000000, -0.0003925900000000, -0.0001786200000000 ] - [ -0.0000299000000000, -0.0003862900000000, 0.0000925900000000 ] - [ 0.0003523300000000, -0.0003562800000000, 0.0003356400000000 ] - [ -0.0000140800000000, 0.0007187900000000, -0.0002982100000000 ] - [ 0.0001001600000000, 0.0003995000000000, -0.0001379000000000 ] - [ 0.0000397500000000, 0.0003255600000000, 0.0000876500000000 ] - [ 0.0001307000000000, 0.0003061600000000, 0.0000946400000000 ] - [ 0.0002313900000000, 0.0014741900000000, 0.0007419700000000 ] - [ 0.0002174000000000, 0.0006528400000000, -0.0003878600000000 ] - [ 0.0001285300000000, 0.0006433300000000, -0.0002594600000000 ] - [ 0.0010436300000000, 0.0004671200000000, -0.0002164900000000 ] - [ 0.0005241500000000, -0.0003072600000000, -0.0008479200000000 ] - [ 0.0002561900000000, -0.0006177200000000, -0.0004625600000000 ] - [ 0.0003390200000000, -0.0006586700000000, -0.0002446300000000 ] - [ 0.0003441300000000, -0.0006750200000000, -0.0002017800000000 ] - [ -0.0007907900000000, -0.0006046400000000, 0.0005415200000000 ] - [ 0.0000860800000000, -0.0008292900000000, 0.0002537500000000 ] - [ -0.0012220000000000, -0.0006004500000000, 0.0016981600000000 ] - [ -0.0002698000000000, -0.0005679100000000, 0.0004588000000000 ] - [ -0.0000349400000000, 0.0005162300000000, -0.0000963900000000 ] - [ -0.0004916000000000, 0.0006269300000000, 0.0002388800000000 ] - [ -0.0004210800000000, 0.0006556500000000, 0.0004993900000000 ] - [ -0.0002133600000000, 0.0007176100000000, 0.0007332800000000 ] - [ 0.0264000300000000, 0.0459526300000000, 0.0011566500000000 ] - [ -0.0002802100000000, 0.0004637800000000, -0.0006663300000000 ] - [ -0.0000807600000000, 0.0004402500000000, -0.0003770600000000 ] - [ 0.0001520900000000, 0.0004291500000000, -0.0002105300000000 ] - [ -0.0002753400000000, -0.0005456600000000, -0.0004026800000000 ] - [ 0.0000794300000000, -0.0003847300000000, -0.0005090000000000 ] - [ -0.0000280100000000, -0.0003811100000000, -0.0003821800000000 ] - [ 0.0000265300000000, -0.0004440500000000, -0.0005213900000000 ] - [ -0.0008899100000000, -0.0001310800000000, -0.0004417200000000 ] - [ -0.0004835200000000, -0.0005409700000000, 0.0000754500000000 ] - [ -0.0000389600000000, -0.0004807700000000, 0.0006594400000000 ] - [ 0.0000384200000000, -0.0004993000000000, 0.0008846100000000 ] - [ 0.0002312300000000, -0.0001545500000000, 0.0007415400000000 ] - [ -0.0001428600000000, 0.0004095200000000, 0.0005029200000000 ] - [ -0.0001266900000000, 0.0004566000000000, 0.0004780100000000 ] - [ 0.0003370000000000, 0.0007201600000000, 0.0005100700000000 ]- atom: 81 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ -0.0022770500000000, 0.0013710600000000, 0.0000460100000000 ] - [ 0.0032761700000000, 0.0015051000000000, -0.0003376900000000 ] - [ 0.0002645700000000, -0.0001602600000000, -0.0002883900000000 ] - [ -0.0003493200000000, 0.0001749000000000, -0.0000030800000000 ] - [ 0.0017099500000000, 0.0002870100000000, -0.0015465200000000 ] - [ -0.0009396300000000, -0.0000226300000000, 0.0001038200000000 ] - [ -0.0012943400000000, -0.0002364700000000, -0.0006724700000000 ] - [ 0.0045541800000000, -0.0020672800000000, -0.0035729300000000 ] - [ 0.0000846100000000, 0.0002259000000000, 0.0007661900000000 ] - [ -0.0003420800000000, -0.0004412900000000, -0.0003892500000000 ] - [ -0.0003485400000000, -0.0002638000000000, 0.0004492300000000 ] - [ 0.0001052200000000, 0.0001619800000000, -0.0003071800000000 ] - [ 0.0031010700000000, 0.0005328500000000, -0.0000459600000000 ] - [ -0.0013536900000000, 0.0001988400000000, 0.0000007500000000 ] - [ -0.0004105400000000, 0.0000982400000000, 0.0002068800000000 ] - [ 0.0005415900000000, 0.0000371100000000, 0.0001247800000000 ] - [ -0.0017331200000000, -0.0004586800000000, 0.0004665000000000 ] - [ -0.0014731900000000, 0.0006260700000000, 0.0001637900000000 ] - [ -0.0003639600000000, 0.0001362500000000, 0.0003041300000000 ] - [ -0.0003481900000000, -0.0000107000000000, 0.0002131000000000 ] - [ -0.0003117400000000, -0.0000451000000000, 0.0002741400000000 ] - [ -0.0004390400000000, -0.0000438100000000, 0.0002345800000000 ] - [ -0.0004255500000000, -0.0000389100000000, 0.0002463300000000 ] - [ -0.0002487600000000, 0.0000750400000000, 0.0001382500000000 ] - [ 0.0004198500000000, 0.0004476300000000, 0.0000751000000000 ] - [ 0.0002985100000000, -0.0001969700000000, -0.0003802300000000 ] - [ 0.0002211700000000, 0.0000232400000000, -0.0001876800000000 ] - [ 0.0002563900000000, 0.0000803100000000, -0.0012381900000000 ] - [ 0.0004116700000000, 0.0003576300000000, -0.0005268300000000 ] - [ 0.0002821500000000, -0.0001520500000000, -0.0001667900000000 ] - [ 0.0003228000000000, -0.0000061200000000, -0.0002446700000000 ] - [ 0.0003690700000000, 0.0000683700000000, -0.0002291200000000 ] - [ -0.0004275000000000, -0.0004968200000000, 0.0003704300000000 ] - [ 0.0000161500000000, -0.0004147200000000, -0.0004413400000000 ] - [ -0.0003979400000000, -0.0005948100000000, 0.0006934200000000 ] - [ -0.0002196800000000, -0.0003846800000000, -0.0020464800000000 ] - [ 0.0007597500000000, 0.0006261300000000, -0.0007294500000000 ] - [ -0.0003275200000000, 0.0004223900000000, 0.0000536600000000 ] - [ -0.0000706500000000, 0.0004228700000000, -0.0001800500000000 ] - [ 0.0000794400000000, 0.0004510300000000, -0.0001947500000000 ] - [ -0.0005465000000000, 0.0003435500000000, 0.0009422700000000 ] - [ -0.0004914900000000, 0.0009891000000000, -0.0001328900000000 ] - [ -0.0000693100000000, 0.0004136100000000, 0.0003323700000000 ] - [ -0.0000931700000000, 0.0004179600000000, 0.0002746300000000 ] - [ 0.0002565800000000, -0.0004096900000000, 0.0000397000000000 ] - [ -0.0002709500000000, -0.0004338100000000, 0.0004500500000000 ] - [ -0.0001478700000000, -0.0004125200000000, 0.0003277700000000 ] - [ 0.0000899000000000, -0.0004334600000000, 0.0001780800000000 ] - [ -0.0027893600000000, 0.0013706700000000, -0.0064499000000000 ] - [ -0.0008658400000000, -0.0004104200000000, -0.0004783800000000 ] - [ -0.0004342500000000, -0.0004457600000000, -0.0002761600000000 ] - [ 0.0000599400000000, -0.0005371900000000, 0.0000326500000000 ] - [ 0.0000305600000000, 0.0004408600000000, 0.0000770000000000 ] - [ -0.0004545100000000, 0.0004778400000000, -0.0003357000000000 ] - [ -0.0004110300000000, 0.0005283700000000, -0.0002037300000000 ] - [ -0.0004100300000000, 0.0003942000000000, -0.0004434400000000 ] - [ 0.0011185300000000, 0.0000300200000000, 0.0003808900000000 ] - [ -0.0000757100000000, 0.0005072500000000, 0.0000445300000000 ] - [ -0.0000595000000000, 0.0005227300000000, -0.0000011500000000 ] - [ 0.0008625300000000, 0.0004052400000000, 0.0004811800000000 ] - [ 0.0000646600000000, -0.0006028500000000, 0.0001510900000000 ] - [ 0.0002451200000000, -0.0003666000000000, 0.0001290100000000 ] - [ 0.0003308100000000, -0.0004539200000000, 0.0002586200000000 ] - [ 0.0001690200000000, -0.0004955800000000, 0.0001248100000000 ] - [ -0.0000774800000000, -0.0016362900000000, -0.0004689300000000 ] - [ 0.0000615900000000, 0.0000809900000000, 0.0002907600000000 ] - [ 0.0002849200000000, 0.0000839400000000, -0.0001078300000000 ] - [ 0.0003142800000000, 0.0000964900000000, 0.0000578800000000 ] - [ 0.0001672000000000, -0.0000493700000000, -0.0000370000000000 ] - [ 0.0008337100000000, -0.0001689400000000, 0.0000189900000000 ] - [ 0.0004583900000000, -0.0001039300000000, -0.0000459600000000 ] - [ 0.0002774200000000, -0.0000441600000000, -0.0000270900000000 ] - [ 0.0004220600000000, 0.0013388600000000, 0.0018137800000000 ] - [ -0.0006766600000000, -0.0000951900000000, 0.0000657100000000 ] - [ -0.0004610700000000, -0.0001648900000000, 0.0001262600000000 ] - [ -0.0001866300000000, 0.0001429700000000, -0.0001238200000000 ] - [ -0.0004665600000000, -0.0000116800000000, 0.0001868700000000 ] - [ -0.0002816500000000, 0.0001306700000000, -0.0000095900000000 ] - [ -0.0003776600000000, 0.0002052300000000, 0.0002091100000000 ] - [ -0.0004069200000000, 0.0000161300000000, -0.0000350200000000 ] - [ -0.0244327300000000, 0.0012819700000000, -0.0008484400000000 ] - [ 0.0007804600000000, 0.0000716200000000, -0.0000151100000000 ] - [ 0.0002367900000000, 0.0000427000000000, -0.0000316600000000 ] - [ -0.0004155500000000, 0.0001159500000000, 0.0000655800000000 ] - [ 0.0002678500000000, 0.0003113500000000, -0.0009906900000000 ] - [ 0.0000700700000000, -0.0003627400000000, 0.0002927600000000 ] - [ 0.0002677800000000, -0.0002673400000000, -0.0001549700000000 ] - [ 0.0000713500000000, 0.0000722100000000, 0.0002267800000000 ] - [ -0.0005575100000000, 0.0004543500000000, 0.0003791700000000 ] - [ 0.0003829900000000, -0.0001110800000000, -0.0001659200000000 ] - [ 0.0003722700000000, -0.0001738400000000, 0.0001877000000000 ] - [ -0.0000315100000000, 0.0007293700000000, -0.0010693900000000 ] - [ 0.0004077300000000, 0.0000209200000000, -0.0000540700000000 ] - [ -0.0004848600000000, 0.0005431100000000, 0.0001724500000000 ] - [ -0.0001614300000000, 0.0000594000000000, 0.0000108500000000 ] - [ 0.0001751700000000, 0.0000370000000000, -0.0000566400000000 ] - [ -0.0001273600000000, 0.0003667200000000, -0.0022523000000000 ] - [ 0.0005971100000000, 0.0004825800000000, 0.0004276700000000 ] - [ 0.0004363000000000, 0.0003787200000000, -0.0003759200000000 ] - [ -0.0004895500000000, 0.0006562000000000, 0.0015617400000000 ] - [ -0.0002090100000000, -0.0016085700000000, 0.0002083900000000 ] - [ 0.0007947000000000, -0.0000906300000000, 0.0002605300000000 ] - [ 0.0000426400000000, -0.0003803800000000, -0.0000368600000000 ] - [ -0.0001661900000000, -0.0004533900000000, 0.0000848100000000 ] - [ 0.0016748000000000, 0.0012192000000000, 0.0000294100000000 ] - [ 0.0017029600000000, -0.0016260700000000, -0.0003081700000000 ] - [ 0.0001577800000000, -0.0004593800000000, -0.0000667300000000 ] - [ 0.0001198300000000, -0.0003292500000000, -0.0001465500000000 ] - [ -0.0002429500000000, 0.0003918000000000, -0.0000573000000000 ] - [ 0.0004100200000000, 0.0003984300000000, -0.0001061300000000 ] - [ 0.0003760800000000, 0.0003738600000000, -0.0000319300000000 ] - [ -0.0002888600000000, 0.0004741300000000, -0.0000395100000000 ] - [ 0.0025504800000000, 0.0003522500000000, -0.0018945900000000 ] - [ 0.0037862900000000, 0.0010419000000000, 0.0017129000000000 ] - [ 0.0007363200000000, 0.0006875600000000, -0.0008947400000000 ] - [ 0.0003625500000000, 0.0006528800000000, -0.0002175900000000 ] - [ -0.0008556400000000, -0.0006298300000000, -0.0004931900000000 ] - [ 0.0009515900000000, -0.0006988600000000, -0.0004387600000000 ] - [ 0.0006184000000000, -0.0006252000000000, -0.0003499300000000 ] - [ -0.0003355400000000, -0.0010265800000000, -0.0008308800000000 ] - [ -0.0004853400000000, -0.0009642100000000, 0.0000489300000000 ] - [ -0.0001667700000000, -0.0005485100000000, 0.0005212100000000 ] - [ 0.0002694500000000, -0.0005739500000000, -0.0000346100000000 ] - [ 0.0001435200000000, -0.0023154400000000, 0.0019961900000000 ] - [ -0.0006860000000000, 0.0004969700000000, 0.0007625800000000 ] - [ -0.0000003400000000, 0.0006919200000000, 0.0002172100000000 ] - [ -0.0001810900000000, 0.0006754400000000, 0.0003859300000000 ] - [ -0.0004999700000000, 0.0006534700000000, 0.0003834500000000 ] - [ 0.0134857300000000, -0.0035373600000000, 0.0137845200000000 ] - [ 0.0010602800000000, 0.0003189100000000, -0.0007944800000000 ] - [ 0.0002280800000000, 0.0004464900000000, -0.0003318200000000 ] - [ 0.0000397100000000, 0.0005727900000000, -0.0009783100000000 ] - [ -0.0004535500000000, -0.0004223300000000, -0.0006244700000000 ] - [ 0.0003241200000000, -0.0004576800000000, -0.0004123500000000 ] - [ 0.0005330400000000, -0.0005118100000000, -0.0006288200000000 ] - [ -0.0007932200000000, 0.0006176900000000, 0.0005319700000000 ] - [ -0.0017812700000000, -0.0018298100000000, -0.0008682500000000 ] - [ 0.0005968200000000, -0.0003942100000000, 0.0005452900000000 ] - [ 0.0003318900000000, -0.0004097200000000, 0.0005091500000000 ] - [ -0.0006143400000000, -0.0005438100000000, 0.0004202500000000 ] - [ 0.0000417800000000, 0.0004062900000000, 0.0003471000000000 ] - [ 0.0001147400000000, 0.0003720100000000, 0.0006232600000000 ] - [ 0.0000601300000000, 0.0005088500000000, 0.0002616300000000 ] - [ -0.0000843900000000, 0.0004196300000000, 0.0006221400000000 ]- atom: 81 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ 0.0022366700000000, -0.0011831000000000, -0.0003497500000000 ] - [ -0.0034416700000000, -0.0014650600000000, 0.0000880000000000 ] - [ -0.0003060600000000, 0.0003416900000000, -0.0000220000000000 ] - [ 0.0003118900000000, 0.0000073800000000, -0.0003075200000000 ] - [ -0.0017431900000000, -0.0004681200000000, 0.0012358800000000 ] - [ 0.0009003700000000, -0.0001596300000000, -0.0004154200000000 ] - [ 0.0012582500000000, 0.0000562700000000, 0.0003692300000000 ] - [ -0.0045939700000000, 0.0018480700000000, 0.0031993600000000 ] - [ -0.0000511100000000, -0.0004064000000000, -0.0004589900000000 ] - [ 0.0003845500000000, 0.0002589100000000, 0.0006974500000000 ] - [ 0.0003924100000000, 0.0000820000000000, -0.0001421400000000 ] - [ -0.0000687900000000, -0.0003436900000000, 0.0006156800000000 ] - [ -0.0030594900000000, -0.0003328300000000, 0.0003552800000000 ] - [ 0.0013964800000000, -0.0000187300000000, 0.0003104700000000 ] - [ 0.0004507600000000, 0.0000835100000000, 0.0001003900000000 ] - [ -0.0005030300000000, 0.0001447500000000, 0.0001828700000000 ] - [ 0.0010286800000000, 0.0005063600000000, 0.0000159900000000 ] - [ 0.0007785400000000, -0.0005807400000000, 0.0003196400000000 ] - [ -0.0003379300000000, -0.0000842700000000, 0.0001790500000000 ] - [ -0.0003535400000000, 0.0000626200000000, 0.0002701500000000 ] - [ -0.0003912200000000, -0.0000067500000000, 0.0002095500000000 ] - [ -0.0002624100000000, -0.0000072600000000, 0.0002483600000000 ] - [ -0.0002760500000000, -0.0000137400000000, 0.0002376100000000 ] - [ -0.0004534900000000, -0.0001272300000000, 0.0003446800000000 ] - [ 0.0002815500000000, -0.0005004400000000, -0.0005580900000000 ] - [ 0.0004033500000000, 0.0001453900000000, -0.0001033900000000 ] - [ 0.0004810900000000, -0.0000762600000000, -0.0002957200000000 ] - [ 0.0004389800000000, -0.0001324900000000, 0.0007535900000000 ] - [ 0.0002902100000000, -0.0003064100000000, 0.0000450000000000 ] - [ 0.0004196400000000, 0.0002057000000000, -0.0003170500000000 ] - [ 0.0003787300000000, 0.0000571600000000, -0.0002384300000000 ] - [ 0.0003325100000000, -0.0000169100000000, -0.0002544600000000 ] - [ 0.0005062600000000, -0.0003390900000000, -0.0008888800000000 ] - [ 0.0000634300000000, -0.0004209600000000, -0.0000801500000000 ] - [ 0.0004805000000000, -0.0002435000000000, -0.0012087600000000 ] - [ 0.0002916200000000, -0.0004515600000000, 0.0015424200000000 ] - [ -0.0006816300000000, 0.0002061000000000, 0.0002154800000000 ] - [ 0.0004067100000000, 0.0004135100000000, -0.0005731900000000 ] - [ 0.0001497300000000, 0.0004127000000000, -0.0003398600000000 ] - [ -0.0000001200000000, 0.0003843000000000, -0.0003261100000000 ] - [ 0.0004678700000000, 0.0004919000000000, -0.0004214300000000 ] - [ 0.0004080700000000, -0.0001562600000000, 0.0006570000000000 ] - [ -0.0000096400000000, 0.0004221200000000, 0.0001866900000000 ] - [ 0.0000165600000000, 0.0004183400000000, 0.0002422600000000 ] - [ -0.0003365500000000, -0.0004253200000000, 0.0004814100000000 ] - [ 0.0001927200000000, -0.0004017200000000, 0.0000687000000000 ] - [ 0.0000701300000000, -0.0004236700000000, 0.0001904800000000 ] - [ -0.0001673900000000, -0.0004025800000000, 0.0003392000000000 ] - [ 0.0024202400000000, -0.0023730300000000, 0.0061604200000000 ] - [ 0.0003814300000000, -0.0005508400000000, 0.0001276300000000 ] - [ -0.0000519600000000, -0.0005153500000000, -0.0000751700000000 ] - [ -0.0005477600000000, -0.0004239400000000, -0.0003852400000000 ] - [ -0.0005187600000000, 0.0005197000000000, -0.0004294000000000 ] - [ -0.0000315000000000, 0.0004834700000000, -0.0000157300000000 ] - [ -0.0000729600000000, 0.0004333800000000, -0.0001460200000000 ] - [ -0.0000793500000000, 0.0005685100000000, 0.0000912300000000 ] - [ -0.0006279600000000, 0.0009324800000000, -0.0000237100000000 ] - [ 0.0005618600000000, 0.0004537700000000, 0.0003063100000000 ] - [ 0.0005464900000000, 0.0004381500000000, 0.0003533600000000 ] - [ -0.0003782200000000, 0.0005564500000000, -0.0001319600000000 ] - [ 0.0004239500000000, -0.0003587200000000, 0.0002024600000000 ] - [ 0.0002395200000000, -0.0005950200000000, 0.0002222600000000 ] - [ 0.0001543800000000, -0.0005073200000000, 0.0000920600000000 ] - [ 0.0003173000000000, -0.0004654300000000, 0.0002264700000000 ] - [ 0.0008086100000000, 0.0017825100000000, 0.0003774800000000 ] - [ 0.0006677500000000, 0.0000716300000000, -0.0003871400000000 ] - [ 0.0004429000000000, 0.0000695200000000, 0.0000136600000000 ] - [ 0.0004153400000000, 0.0000566600000000, -0.0001533400000000 ] - [ 0.0005620700000000, -0.0001038700000000, -0.0000569300000000 ] - [ -0.0001058400000000, 0.0000142800000000, -0.0001126000000000 ] - [ 0.0002695900000000, -0.0000486400000000, -0.0000483400000000 ] - [ 0.0004512100000000, -0.0001090000000000, -0.0000676900000000 ] - [ -0.0011683600000000, -0.0014976300000000, -0.0017147200000000 ] - [ -0.0000519100000000, -0.0000584000000000, 0.0000285800000000 ] - [ -0.0002674100000000, 0.0000110900000000, -0.0000319300000000 ] - [ -0.0005424400000000, -0.0002969800000000, 0.0002176000000000 ] - [ -0.0002618100000000, 0.0001658300000000, -0.0000934800000000 ] - [ -0.0004468200000000, 0.0000231200000000, 0.0001035100000000 ] - [ -0.0003505300000000, -0.0000521900000000, -0.0001158200000000 ] - [ -0.0003220800000000, 0.0001375900000000, 0.0001303100000000 ] - [ 0.0242653500000000, -0.0008927900000000, 0.0005815400000000 ] - [ -0.0008186100000000, 0.0000299500000000, 0.0000176700000000 ] - [ -0.0002738700000000, 0.0000586500000000, 0.0000354700000000 ] - [ 0.0003796400000000, -0.0000140800000000, -0.0000611100000000 ] - [ -0.0003056800000000, -0.0004151500000000, 0.0010012900000000 ] - [ -0.0001071200000000, 0.0002588000000000, -0.0002894100000000 ] - [ -0.0003093600000000, 0.0001686600000000, 0.0001596100000000 ] - [ -0.0001056200000000, -0.0001740300000000, -0.0002237000000000 ] - [ 0.0005906500000000, -0.0005539000000000, -0.0003836100000000 ] - [ -0.0003463300000000, 0.0000102600000000, 0.0001641500000000 ] - [ -0.0003358300000000, 0.0000734800000000, -0.0001921300000000 ] - [ 0.0000631400000000, -0.0008317200000000, 0.0010676900000000 ] - [ -0.0003737700000000, 0.0000807700000000, 0.0000500800000000 ] - [ 0.0005264300000000, -0.0004463200000000, -0.0001777900000000 ] - [ 0.0001984700000000, 0.0000419900000000, -0.0000134500000000 ] - [ -0.0001397200000000, 0.0000645000000000, 0.0000547200000000 ] - [ -0.0000655300000000, 0.0004135400000000, 0.0023667500000000 ] - [ -0.0007941500000000, 0.0002964800000000, -0.0003185100000000 ] - [ -0.0006357700000000, 0.0004009300000000, 0.0004819800000000 ] - [ 0.0002973200000000, 0.0001233100000000, -0.0014595400000000 ] - [ 0.0000062400000000, 0.0008308800000000, -0.0001035800000000 ] - [ -0.0009959700000000, -0.0006898900000000, -0.0001545600000000 ] - [ -0.0002411300000000, -0.0003987300000000, 0.0001457700000000 ] - [ -0.0000323300000000, -0.0003259800000000, 0.0000243800000000 ] - [ -0.0014598100000000, -0.0019808700000000, -0.0001335400000000 ] - [ -0.0015247000000000, 0.0008657600000000, 0.0002028200000000 ] - [ 0.0000410800000000, -0.0003196100000000, -0.0000408100000000 ] - [ 0.0000771700000000, -0.0004498900000000, 0.0000412100000000 ] - [ 0.0004423500000000, 0.0003869900000000, -0.0000520000000000 ] - [ -0.0002124400000000, 0.0003802900000000, -0.0000008500000000 ] - [ -0.0001793600000000, 0.0004054600000000, -0.0000761800000000 ] - [ 0.0004885600000000, 0.0003039300000000, -0.0000652300000000 ] - [ -0.0018264900000000, 0.0009580500000000, 0.0011039500000000 ] - [ -0.0031437000000000, 0.0002590000000000, -0.0025170000000000 ] - [ -0.0000354200000000, 0.0006249300000000, 0.0001231800000000 ] - [ 0.0003354200000000, 0.0006563400000000, -0.0005512000000000 ] - [ 0.0015624300000000, -0.0006814400000000, -0.0002832700000000 ] - [ -0.0002515100000000, -0.0006155200000000, -0.0003325700000000 ] - [ 0.0000795300000000, -0.0006846500000000, -0.0004216600000000 ] - [ 0.0010347100000000, -0.0002838700000000, 0.0000611800000000 ] - [ -0.0002147400000000, -0.0003486900000000, 0.0007232400000000 ] - [ -0.0005364800000000, -0.0007664900000000, 0.0002530400000000 ] - [ -0.0009703500000000, -0.0007351300000000, 0.0008041600000000 ] - [ -0.0008358700000000, 0.0010152100000000, -0.0012336500000000 ] - [ -0.0000151300000000, 0.0008129100000000, 0.0000040400000000 ] - [ -0.0007000600000000, 0.0006186900000000, 0.0005554800000000 ] - [ -0.0005208200000000, 0.0006400200000000, 0.0003871900000000 ] - [ -0.0002024600000000, 0.0006619500000000, 0.0003908800000000 ] - [ -0.0132713000000000, 0.0043404300000000, -0.0145058000000000 ] - [ -0.0010261500000000, 0.0005626700000000, -0.0001588800000000 ] - [ -0.0001900200000000, 0.0004342500000000, -0.0006245800000000 ] - [ -0.0000036100000000, 0.0003074000000000, 0.0000276100000000 ] - [ 0.0004915800000000, -0.0004592100000000, -0.0003301700000000 ] - [ -0.0002879700000000, -0.0004238600000000, -0.0005426000000000 ] - [ -0.0004985800000000, -0.0003698800000000, -0.0003286400000000 ] - [ 0.0008410600000000, -0.0014975800000000, -0.0014884200000000 ] - [ 0.0017606200000000, 0.0009358000000000, 0.0018051200000000 ] - [ -0.0006345600000000, -0.0004858500000000, 0.0004113100000000 ] - [ -0.0003705700000000, -0.0004703700000000, 0.0004466000000000 ] - [ 0.0005785500000000, -0.0003367100000000, 0.0005375200000000 ] - [ -0.0000846600000000, 0.0004740200000000, 0.0006092900000000 ] - [ -0.0001504500000000, 0.0005090700000000, 0.0003315200000000 ] - [ -0.0000969200000000, 0.0003706400000000, 0.0006951100000000 ] - [ 0.0000466700000000, 0.0004603900000000, 0.0003341800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009573900000000, 0.0001546600000000, -0.0001031800000000 ] - [ 0.0015607700000000, 0.0040451400000000, -0.0007061000000000 ] - [ -0.0000890100000000, 0.0002141400000000, -0.0002304000000000 ] - [ 0.0001291100000000, 0.0001471000000000, -0.0002751200000000 ] - [ -0.0000009100000000, 0.0003115900000000, 0.0008248000000000 ] - [ -0.0001046600000000, 0.0001166600000000, 0.0000316900000000 ] - [ -0.0001560300000000, 0.0001896200000000, -0.0003338500000000 ] - [ -0.0019519400000000, 0.0049432300000000, 0.0037906100000000 ] - [ 0.0008151500000000, -0.0010390200000000, -0.0004518800000000 ] - [ -0.0002726100000000, -0.0005714300000000, -0.0002223500000000 ] - [ -0.0003344200000000, -0.0005922100000000, 0.0004611500000000 ] - [ 0.0004296300000000, -0.0006126200000000, 0.0006954700000000 ] - [ -0.0004551600000000, 0.0010190900000000, 0.0004401200000000 ] - [ 0.0001953200000000, -0.0001959700000000, 0.0002634100000000 ] - [ 0.0000307000000000, 0.0000309400000000, 0.0001578200000000 ] - [ 0.0000406500000000, -0.0000408900000000, 0.0001063000000000 ] - [ -0.0007335500000000, 0.0008447200000000, 0.0005042400000000 ] - [ -0.0001815700000000, 0.0007037900000000, 0.0005541200000000 ] - [ -0.0003670600000000, 0.0000941200000000, 0.0002771200000000 ] - [ -0.0003745200000000, 0.0001619700000000, 0.0002464700000000 ] - [ -0.0004982700000000, -0.0007053000000000, 0.0006473700000000 ] - [ -0.0003706800000000, -0.0001451900000000, 0.0002917400000000 ] - [ -0.0003412700000000, -0.0001044400000000, 0.0002590900000000 ] - [ -0.0003743000000000, -0.0005528100000000, 0.0003937300000000 ] - [ 0.0004222400000000, 0.0002957700000000, -0.0002896000000000 ] - [ 0.0003227800000000, 0.0001008900000000, -0.0001986700000000 ] - [ 0.0002996800000000, 0.0001855600000000, -0.0001571100000000 ] - [ 0.0008825800000000, 0.0007871900000000, 0.0011110700000000 ] - [ 0.0001776500000000, -0.0010971600000000, 0.0004022600000000 ] - [ 0.0003225300000000, -0.0002485900000000, -0.0001109800000000 ] - [ 0.0003357200000000, -0.0000491800000000, -0.0002251400000000 ] - [ 0.0003226500000000, -0.0001153600000000, -0.0001934800000000 ] - [ 0.0000736200000000, -0.0004519600000000, -0.0002908200000000 ] - [ 0.0000295000000000, -0.0003908700000000, -0.0002232300000000 ] - [ 0.0000964600000000, -0.0004108000000000, -0.0003728800000000 ] - [ 0.0000429500000000, -0.0000275800000000, -0.0004979100000000 ] - [ 0.0002742600000000, -0.0003895700000000, 0.0002668300000000 ] - [ -0.0000817900000000, 0.0004211800000000, -0.0001366500000000 ] - [ 0.0000174100000000, 0.0004192700000000, -0.0002652800000000 ] - [ 0.0000977800000000, 0.0003817400000000, -0.0004231300000000 ] - [ -0.0003349300000000, 0.0003980600000000, 0.0006577200000000 ] - [ 0.0010674300000000, 0.0001644500000000, 0.0001247200000000 ] - [ 0.0000104700000000, 0.0004170400000000, 0.0002153000000000 ] - [ -0.0001020400000000, 0.0004053400000000, 0.0002812300000000 ] - [ 0.0000334200000000, -0.0006090600000000, 0.0000538900000000 ] - [ -0.0000309800000000, -0.0004422900000000, 0.0002253500000000 ] - [ -0.0000388900000000, -0.0004384800000000, 0.0002486200000000 ] - [ -0.0001186100000000, -0.0004538300000000, 0.0003695800000000 ] - [ 0.0029394500000000, 0.0036245400000000, 0.0023650500000000 ] - [ -0.0003610800000000, -0.0003966400000000, -0.0003043200000000 ] - [ -0.0002445000000000, -0.0004673300000000, -0.0001750000000000 ] - [ -0.0003930400000000, -0.0004486800000000, -0.0002710800000000 ] - [ -0.0001276300000000, 0.0005377400000000, -0.0000207700000000 ] - [ -0.0001679600000000, 0.0005078700000000, -0.0001092300000000 ] - [ -0.0001388100000000, 0.0004973800000000, -0.0001766600000000 ] - [ -0.0009742900000000, 0.0007431300000000, -0.0007591700000000 ] - [ -0.0008741300000000, 0.0008315600000000, -0.0009203600000000 ] - [ 0.0002385300000000, 0.0004958900000000, 0.0000998700000000 ] - [ 0.0002888900000000, 0.0004560200000000, 0.0002285000000000 ] - [ 0.0005521200000000, 0.0003993700000000, 0.0005323500000000 ] - [ 0.0001017900000000, -0.0006628900000000, -0.0000483600000000 ] - [ 0.0002793300000000, -0.0006422300000000, 0.0001500800000000 ] - [ 0.0002592300000000, -0.0004919600000000, 0.0001941600000000 ] - [ 0.0002167500000000, -0.0005008900000000, 0.0001641400000000 ] - [ -0.0002634600000000, 0.0012517000000000, -0.0007918600000000 ] - [ 0.0005090300000000, 0.0004228100000000, -0.0001603100000000 ] - [ 0.0003642400000000, 0.0001337500000000, -0.0000297300000000 ] - [ 0.0003446100000000, 0.0004208200000000, 0.0002137900000000 ] - [ 0.0003293800000000, -0.0001899200000000, -0.0000711700000000 ] - [ 0.0006049000000000, -0.0007188800000000, 0.0000564900000000 ] - [ 0.0003880400000000, -0.0002038700000000, -0.0000344000000000 ] - [ 0.0003685000000000, -0.0001230500000000, -0.0000360100000000 ] - [ 0.0010459600000000, 0.0002404600000000, -0.0025808700000000 ] - [ -0.0004782700000000, 0.0000689300000000, -0.0000454400000000 ] - [ -0.0003724000000000, -0.0000204400000000, 0.0000560000000000 ] - [ -0.0003146600000000, 0.0000958800000000, 0.0000988900000000 ] - [ -0.0003956200000000, -0.0000505900000000, 0.0001518800000000 ] - [ -0.0003705500000000, -0.0000137800000000, 0.0000718400000000 ] - [ -0.0002436900000000, -0.0006014900000000, -0.0001833600000000 ] - [ -0.0003189700000000, -0.0001240100000000, 0.0000210700000000 ] - [ 0.0010918600000000, -0.0243973200000000, -0.0041972400000000 ] - [ 0.0000020900000000, -0.0002342000000000, 0.0000499900000000 ] - [ -0.0000264500000000, -0.0000263500000000, -0.0000204700000000 ] - [ 0.0000465000000000, -0.0001332900000000, -0.0000129400000000 ] - [ 0.0001976600000000, 0.0004195800000000, -0.0008170400000000 ] - [ -0.0001420200000000, 0.0001611300000000, -0.0001437300000000 ] - [ -0.0003824300000000, 0.0004215600000000, 0.0001817900000000 ] - [ 0.0002924700000000, 0.0001601500000000, 0.0003420000000000 ] - [ 0.0005249300000000, -0.0004269900000000, 0.0005044200000000 ] - [ -0.0000423000000000, -0.0001716900000000, 0.0001099800000000 ] - [ -0.0001057200000000, -0.0001620700000000, -0.0000810100000000 ] - [ 0.0007970600000000, -0.0001075200000000, -0.0016010800000000 ] - [ 0.0000492200000000, 0.0004393000000000, 0.0000561000000000 ] - [ -0.0004791700000000, 0.0014441800000000, 0.0001821600000000 ] - [ 0.0000094100000000, 0.0001922200000000, -0.0000666600000000 ] - [ 0.0000318900000000, 0.0001573800000000, -0.0000280500000000 ] - [ -0.0002134700000000, -0.0006488900000000, 0.0000331300000000 ] - [ -0.0002128700000000, 0.0001953700000000, -0.0000313800000000 ] - [ -0.0001204300000000, 0.0001919700000000, 0.0000676600000000 ] - [ 0.0000322100000000, -0.0004466000000000, -0.0000821900000000 ] - [ -0.0014860700000000, 0.0020489800000000, -0.0000530600000000 ] - [ 0.0005885100000000, -0.0000125600000000, 0.0003719800000000 ] - [ -0.0000797100000000, -0.0003539900000000, 0.0000046400000000 ] - [ -0.0001393300000000, -0.0002761300000000, 0.0000746700000000 ] - [ 0.0017496200000000, -0.0003548600000000, 0.0003118700000000 ] - [ -0.0012285000000000, -0.0002906100000000, 0.0001373600000000 ] - [ 0.0000481900000000, -0.0004504800000000, -0.0000717400000000 ] - [ 0.0001575900000000, -0.0004851500000000, -0.0001579400000000 ] - [ 0.0000914800000000, 0.0009805400000000, -0.0000656500000000 ] - [ 0.0001409400000000, 0.0005166700000000, -0.0000475300000000 ] - [ 0.0001336000000000, 0.0005526400000000, -0.0000590100000000 ] - [ -0.0001077700000000, 0.0013296100000000, -0.0006154000000000 ] - [ -0.0000077800000000, -0.0000896200000000, -0.0004342000000000 ] - [ 0.0009193500000000, -0.0002714100000000, -0.0000417100000000 ] - [ 0.0003362200000000, 0.0005851400000000, -0.0003887800000000 ] - [ 0.0003352100000000, 0.0004998100000000, -0.0004204700000000 ] - [ 0.0003352400000000, 0.0005252900000000, -0.0016889300000000 ] - [ 0.0004094300000000, -0.0005851900000000, -0.0005444700000000 ] - [ 0.0003656200000000, -0.0006200900000000, -0.0003794000000000 ] - [ 0.0006894900000000, -0.0000759800000000, -0.0000132700000000 ] - [ -0.0004384600000000, -0.0008295900000000, 0.0005445700000000 ] - [ -0.0002462200000000, -0.0007221800000000, 0.0003746600000000 ] - [ -0.0000499800000000, -0.0007257400000000, 0.0000556200000000 ] - [ -0.0026587100000000, 0.0007343100000000, -0.0020098400000000 ] - [ 0.0001109000000000, 0.0019024400000000, 0.0007295900000000 ] - [ -0.0004162500000000, 0.0009712600000000, 0.0003289900000000 ] - [ -0.0004046300000000, 0.0007605700000000, 0.0003487800000000 ] - [ -0.0002666400000000, 0.0008276500000000, 0.0002566700000000 ] - [ -0.0051967900000000, -0.0018952100000000, -0.0047897400000000 ] - [ 0.0003781100000000, -0.0001231300000000, -0.0005785800000000 ] - [ 0.0000154000000000, 0.0003600300000000, -0.0004736000000000 ] - [ -0.0002253500000000, -0.0001437700000000, 0.0000900600000000 ] - [ -0.0000268100000000, -0.0003897900000000, -0.0006453200000000 ] - [ -0.0000351400000000, -0.0004239100000000, -0.0005354100000000 ] - [ -0.0000638700000000, -0.0004093800000000, -0.0004083200000000 ] - [ 0.0012286100000000, 0.0015982700000000, 0.0011511700000000 ] - [ -0.0012039400000000, 0.0040628000000000, 0.0063628600000000 ] - [ 0.0001023400000000, -0.0004832400000000, 0.0006236800000000 ] - [ -0.0000204300000000, -0.0004642900000000, 0.0004073500000000 ] - [ -0.0002508700000000, -0.0004898300000000, 0.0001304800000000 ] - [ 0.0008043100000000, 0.0014227200000000, 0.0003335500000000 ] - [ -0.0001478100000000, 0.0007621200000000, 0.0004690300000000 ] - [ -0.0000540000000000, 0.0005915200000000, 0.0004849900000000 ] - [ -0.0000019000000000, 0.0005660200000000, 0.0005043300000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009872600000000, 0.0000156200000000, -0.0002092100000000 ] - [ -0.0017662700000000, -0.0040085100000000, 0.0004705400000000 ] - [ 0.0000486900000000, -0.0000357900000000, -0.0000784200000000 ] - [ -0.0001685900000000, 0.0000341600000000, -0.0000328700000000 ] - [ -0.0000415300000000, -0.0004995600000000, -0.0011199100000000 ] - [ 0.0000661300000000, -0.0003003400000000, -0.0003409000000000 ] - [ 0.0001151600000000, -0.0003739300000000, 0.0000249000000000 ] - [ 0.0019668300000000, -0.0051670900000000, -0.0042329300000000 ] - [ -0.0007701700000000, 0.0008586700000000, 0.0007555800000000 ] - [ 0.0003099600000000, 0.0003915900000000, 0.0005273300000000 ] - [ 0.0003717700000000, 0.0004113400000000, -0.0001484900000000 ] - [ -0.0003862200000000, 0.0004318800000000, -0.0003818300000000 ] - [ 0.0005425600000000, -0.0005434800000000, -0.0001704100000000 ] - [ -0.0001547000000000, 0.0003800000000000, 0.0000454500000000 ] - [ 0.0000095500000000, 0.0001522600000000, 0.0001507400000000 ] - [ -0.0000018100000000, 0.0002252700000000, 0.0002026100000000 ] - [ 0.0000407400000000, -0.0007847200000000, -0.0000203400000000 ] - [ -0.0005246800000000, -0.0006455300000000, -0.0000695100000000 ] - [ -0.0003347700000000, -0.0000403300000000, 0.0002068800000000 ] - [ -0.0003274900000000, -0.0001078900000000, 0.0002381400000000 ] - [ -0.0002036100000000, 0.0006525400000000, -0.0001633100000000 ] - [ -0.0003308600000000, 0.0000933000000000, 0.0001915000000000 ] - [ -0.0003605000000000, 0.0000512200000000, 0.0002251500000000 ] - [ -0.0003284300000000, 0.0004949600000000, 0.0000933200000000 ] - [ 0.0002797600000000, -0.0003429700000000, -0.0001926800000000 ] - [ 0.0003788300000000, -0.0001497100000000, -0.0002833100000000 ] - [ 0.0004023500000000, -0.0002371500000000, -0.0003263800000000 ] - [ -0.0001828200000000, -0.0008292700000000, -0.0015912300000000 ] - [ 0.0005231400000000, 0.0011468000000000, -0.0008883400000000 ] - [ 0.0003799800000000, 0.0003012900000000, -0.0003728100000000 ] - [ 0.0003660500000000, 0.0000997600000000, -0.0002574700000000 ] - [ 0.0003788200000000, 0.0001651900000000, -0.0002887100000000 ] - [ 0.0000011000000000, -0.0003847000000000, -0.0002231400000000 ] - [ 0.0000497400000000, -0.0004445400000000, -0.0002955200000000 ] - [ -0.0000168200000000, -0.0004237400000000, -0.0001510600000000 ] - [ 0.0000298500000000, -0.0008070600000000, -0.0000275000000000 ] - [ -0.0001980400000000, 0.0012246600000000, -0.0007896000000000 ] - [ 0.0001614500000000, 0.0004145800000000, -0.0003834600000000 ] - [ 0.0000619300000000, 0.0004164600000000, -0.0002544500000000 ] - [ -0.0000186400000000, 0.0004542900000000, -0.0000962000000000 ] - [ 0.0002558200000000, 0.0004385300000000, -0.0001380600000000 ] - [ -0.0011408400000000, 0.0006731500000000, 0.0003927000000000 ] - [ -0.0000889500000000, 0.0004190200000000, 0.0003037700000000 ] - [ 0.0000243800000000, 0.0004310600000000, 0.0002371400000000 ] - [ -0.0001106900000000, -0.0002273900000000, 0.0004619500000000 ] - [ -0.0000471400000000, -0.0003932300000000, 0.0002930700000000 ] - [ -0.0000387700000000, -0.0003973700000000, 0.0002698000000000 ] - [ 0.0000382000000000, -0.0003814600000000, 0.0001523200000000 ] - [ -0.0033512700000000, -0.0046190100000000, -0.0026507300000000 ] - [ -0.0001242700000000, -0.0005644300000000, -0.0000464500000000 ] - [ -0.0002416000000000, -0.0004935900000000, -0.0001763400000000 ] - [ -0.0000920600000000, -0.0005124100000000, -0.0000797500000000 ] - [ -0.0003597700000000, 0.0004224400000000, -0.0003316000000000 ] - [ -0.0003175600000000, 0.0004533500000000, -0.0002415800000000 ] - [ -0.0003475400000000, 0.0004633300000000, -0.0001747800000000 ] - [ 0.0004899700000000, 0.0002118900000000, 0.0004077300000000 ] - [ 0.0013535600000000, 0.0001368800000000, 0.0012705700000000 ] - [ 0.0002476900000000, 0.0004657200000000, 0.0002510500000000 ] - [ 0.0001974000000000, 0.0005053100000000, 0.0001230800000000 ] - [ -0.0000659800000000, 0.0005627300000000, -0.0001800900000000 ] - [ 0.0003801600000000, -0.0002977600000000, 0.0003961000000000 ] - [ 0.0002095000000000, -0.0003181900000000, 0.0002028100000000 ] - [ 0.0002269000000000, -0.0004688500000000, 0.0001570400000000 ] - [ 0.0002695600000000, -0.0004600200000000, 0.0001874700000000 ] - [ 0.0010011300000000, -0.0010817800000000, 0.0007021100000000 ] - [ 0.0002179200000000, -0.0002683700000000, 0.0000654900000000 ] - [ 0.0003634700000000, 0.0000203700000000, -0.0000648300000000 ] - [ 0.0003837800000000, -0.0002664500000000, -0.0003077600000000 ] - [ 0.0003996200000000, 0.0000359700000000, -0.0000226800000000 ] - [ 0.0001231100000000, 0.0005620100000000, -0.0001508300000000 ] - [ 0.0003407100000000, 0.0000497700000000, -0.0000603900000000 ] - [ 0.0003602800000000, -0.0000303300000000, -0.0000584100000000 ] - [ -0.0017790100000000, -0.0003663100000000, 0.0026883200000000 ] - [ -0.0002501400000000, -0.0002210000000000, 0.0001392100000000 ] - [ -0.0003561100000000, -0.0001322900000000, 0.0000382700000000 ] - [ -0.0004131500000000, -0.0002470500000000, -0.0000050400000000 ] - [ -0.0003325300000000, 0.0002041700000000, -0.0000581700000000 ] - [ -0.0003586600000000, 0.0001670300000000, 0.0000225800000000 ] - [ -0.0004867900000000, 0.0007519800000000, 0.0002810800000000 ] - [ -0.0004093000000000, 0.0002767800000000, 0.0000738800000000 ] - [ -0.0010604800000000, 0.0242693800000000, 0.0042389400000000 ] - [ -0.0000396300000000, 0.0003348700000000, -0.0000470900000000 ] - [ -0.0000102200000000, 0.0001276600000000, 0.0000235100000000 ] - [ -0.0000833600000000, 0.0002340600000000, 0.0000146600000000 ] - [ -0.0002344900000000, -0.0005206700000000, 0.0008247700000000 ] - [ 0.0001050300000000, -0.0002587000000000, 0.0001462300000000 ] - [ 0.0003435100000000, -0.0005186500000000, -0.0001785600000000 ] - [ -0.0003304300000000, -0.0002596800000000, -0.0003405000000000 ] - [ -0.0004857200000000, 0.0003196800000000, -0.0005076100000000 ] - [ 0.0000784400000000, 0.0000692600000000, -0.0001123400000000 ] - [ 0.0001418200000000, 0.0000593000000000, 0.0000779400000000 ] - [ -0.0007570400000000, -0.0000013600000000, 0.0015915500000000 ] - [ -0.0000109700000000, -0.0003362700000000, -0.0000573200000000 ] - [ 0.0005093200000000, -0.0013377700000000, -0.0001824200000000 ] - [ 0.0000269900000000, -0.0000899700000000, 0.0000627800000000 ] - [ 0.0000044100000000, -0.0000551800000000, 0.0000248400000000 ] - [ 0.0000230000000000, 0.0014269500000000, 0.0000593800000000 ] - [ 0.0000112000000000, 0.0005821300000000, 0.0001373000000000 ] - [ -0.0000789100000000, 0.0005867300000000, 0.0000422100000000 ] - [ -0.0002261600000000, 0.0012237100000000, 0.0001989100000000 ] - [ 0.0013078600000000, -0.0028474200000000, 0.0001596600000000 ] - [ -0.0007906700000000, -0.0007665000000000, -0.0002666800000000 ] - [ -0.0001187900000000, -0.0004240200000000, 0.0001033800000000 ] - [ -0.0000590000000000, -0.0005011900000000, 0.0000318500000000 ] - [ -0.0015405200000000, -0.0004313700000000, -0.0004160900000000 ] - [ 0.0014190800000000, -0.0004912500000000, -0.0002443700000000 ] - [ 0.0001501200000000, -0.0003299000000000, -0.0000365900000000 ] - [ 0.0000405100000000, -0.0002947300000000, 0.0000498600000000 ] - [ 0.0001068800000000, -0.0002001300000000, -0.0000392600000000 ] - [ 0.0000568400000000, 0.0002629500000000, -0.0000597100000000 ] - [ 0.0000641700000000, 0.0002272600000000, -0.0000489200000000 ] - [ 0.0003036300000000, -0.0005447800000000, 0.0004979400000000 ] - [ 0.0006965800000000, 0.0014043700000000, -0.0003311400000000 ] - [ -0.0002017600000000, 0.0015865300000000, -0.0007259700000000 ] - [ 0.0003673900000000, 0.0007274300000000, -0.0003873100000000 ] - [ 0.0003628700000000, 0.0008081800000000, -0.0003522200000000 ] - [ 0.0003681500000000, -0.0018401700000000, 0.0009230400000000 ] - [ 0.0002897100000000, -0.0007273400000000, -0.0002273200000000 ] - [ 0.0003327900000000, -0.0006878900000000, -0.0003915900000000 ] - [ 0.0000118300000000, -0.0012276800000000, -0.0007567700000000 ] - [ -0.0002622900000000, -0.0004866000000000, 0.0002280400000000 ] - [ -0.0004556800000000, -0.0005945100000000, 0.0003977000000000 ] - [ -0.0006487300000000, -0.0005846400000000, 0.0007151100000000 ] - [ 0.0019353600000000, -0.0020308100000000, 0.0027536500000000 ] - [ -0.0008055400000000, -0.0005891100000000, 0.0000530000000000 ] - [ -0.0002848800000000, 0.0003393600000000, 0.0004430100000000 ] - [ -0.0002980100000000, 0.0005552900000000, 0.0004231400000000 ] - [ -0.0004334400000000, 0.0004885100000000, 0.0005129500000000 ] - [ 0.0051627700000000, 0.0028193700000000, 0.0037718900000000 ] - [ -0.0003410000000000, 0.0010057400000000, -0.0003766900000000 ] - [ 0.0000226700000000, 0.0005210500000000, -0.0004822100000000 ] - [ 0.0002629400000000, 0.0010255200000000, -0.0010489900000000 ] - [ 0.0000652300000000, -0.0004886000000000, -0.0003099300000000 ] - [ 0.0000713900000000, -0.0004566400000000, -0.0004208400000000 ] - [ 0.0001000200000000, -0.0004699500000000, -0.0005468400000000 ] - [ -0.0012079000000000, -0.0024971900000000, -0.0021299600000000 ] - [ 0.0011502600000000, -0.0048834500000000, -0.0053240800000000 ] - [ -0.0001396900000000, -0.0003983200000000, 0.0003329800000000 ] - [ -0.0000168700000000, -0.0004167800000000, 0.0005483200000000 ] - [ 0.0002131100000000, -0.0003928200000000, 0.0008242700000000 ] - [ -0.0008252800000000, -0.0005393300000000, 0.0006161300000000 ] - [ 0.0001082100000000, 0.0001188700000000, 0.0004852500000000 ] - [ 0.0000161300000000, 0.0002886400000000, 0.0004718000000000 ] - [ -0.0000349300000000, 0.0003148300000000, 0.0004511400000000 ]- atom: 81 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ 0.0008756600000000, -0.0002718200000000, 0.0007175000000000 ] - [ -0.0029124300000000, -0.0017023700000000, 0.0023746900000000 ] - [ -0.0005254900000000, 0.0001174800000000, -0.0010736600000000 ] - [ 0.0004659000000000, 0.0000301400000000, -0.0008527400000000 ] - [ -0.0014260300000000, 0.0002668700000000, -0.0011090200000000 ] - [ 0.0008321000000000, -0.0000312700000000, -0.0006059500000000 ] - [ 0.0006596200000000, -0.0001042200000000, 0.0004309700000000 ] - [ -0.0055119900000000, 0.0039647700000000, 0.0083356300000000 ] - [ 0.0005097400000000, -0.0006796700000000, -0.0002636500000000 ] - [ 0.0000507400000000, -0.0000128900000000, 0.0006291200000000 ] - [ 0.0007206200000000, 0.0001438100000000, -0.0002537300000000 ] - [ -0.0003951200000000, -0.0000313800000000, 0.0001326600000000 ] - [ -0.0020831600000000, -0.0000112800000000, 0.0025694000000000 ] - [ 0.0009822100000000, 0.0000222600000000, 0.0006318400000000 ] - [ 0.0003671500000000, 0.0000452600000000, -0.0002200800000000 ] - [ -0.0003866500000000, 0.0000277900000000, -0.0007226500000000 ] - [ 0.0008897800000000, 0.0006786500000000, 0.0007120500000000 ] - [ 0.0002606600000000, -0.0000829200000000, 0.0006515600000000 ] - [ -0.0003381000000000, -0.0002867000000000, 0.0000030000000000 ] - [ -0.0003501900000000, -0.0000731500000000, 0.0000405600000000 ] - [ -0.0003012100000000, 0.0001675200000000, 0.0000472200000000 ] - [ -0.0002821400000000, 0.0000261400000000, 0.0002314200000000 ] - [ -0.0002692100000000, -0.0000282500000000, 0.0002340800000000 ] - [ -0.0005016600000000, -0.0002992000000000, 0.0003342100000000 ] - [ 0.0003153500000000, -0.0008845200000000, -0.0008906200000000 ] - [ 0.0003684300000000, -0.0000356700000000, -0.0002606000000000 ] - [ 0.0005091600000000, 0.0000158700000000, -0.0002069200000000 ] - [ -0.0001589800000000, 0.0003025200000000, -0.0000541700000000 ] - [ 0.0002991900000000, -0.0003457600000000, 0.0001587200000000 ] - [ 0.0004045600000000, 0.0001456600000000, -0.0002388000000000 ] - [ 0.0003671700000000, 0.0001019800000000, -0.0003231500000000 ] - [ 0.0003506800000000, 0.0000798800000000, -0.0004026600000000 ] - [ 0.0010547300000000, -0.0002164000000000, -0.0017411100000000 ] - [ 0.0000646600000000, -0.0004007600000000, -0.0003310100000000 ] - [ 0.0005025300000000, -0.0002464900000000, -0.0010263900000000 ] - [ -0.0005607100000000, -0.0005057800000000, 0.0010757900000000 ] - [ -0.0008197400000000, 0.0007660800000000, 0.0005624000000000 ] - [ 0.0002731400000000, 0.0004297200000000, -0.0003978500000000 ] - [ 0.0001682300000000, 0.0004004700000000, -0.0004474100000000 ] - [ 0.0002389700000000, 0.0003265600000000, -0.0007845000000000 ] - [ 0.0002144400000000, 0.0004805500000000, 0.0001709500000000 ] - [ -0.0003554500000000, 0.0001252000000000, 0.0011887000000000 ] - [ 0.0001643500000000, 0.0004313600000000, -0.0001082600000000 ] - [ 0.0000882300000000, 0.0004350200000000, -0.0000127000000000 ] - [ -0.0003704300000000, -0.0004807700000000, 0.0005275600000000 ] - [ 0.0001510800000000, -0.0004063700000000, 0.0001345400000000 ] - [ 0.0000384900000000, -0.0004245100000000, 0.0001743400000000 ] - [ -0.0000851500000000, -0.0003937200000000, 0.0001729600000000 ] - [ -0.0031633500000000, -0.0006514800000000, 0.0036827100000000 ] - [ 0.0003099300000000, -0.0005653400000000, 0.0002217600000000 ] - [ -0.0001815700000000, -0.0004788000000000, -0.0002511300000000 ] - [ -0.0007862700000000, -0.0003848100000000, -0.0007309000000000 ] - [ -0.0004291900000000, 0.0006180400000000, -0.0004553000000000 ] - [ -0.0002069500000000, 0.0004751500000000, -0.0001916300000000 ] - [ 0.0001336900000000, 0.0004872600000000, 0.0000588300000000 ] - [ -0.0004243600000000, 0.0004992500000000, -0.0001239700000000 ] - [ -0.0008295700000000, 0.0007401600000000, -0.0004637700000000 ] - [ 0.0005014100000000, 0.0004376100000000, 0.0003162100000000 ] - [ 0.0004214000000000, 0.0004721200000000, 0.0002482100000000 ] - [ -0.0004813900000000, 0.0006541300000000, -0.0003740400000000 ] - [ 0.0005176800000000, -0.0004104800000000, 0.0003756200000000 ] - [ 0.0003013200000000, -0.0005165400000000, 0.0003674300000000 ] - [ 0.0000851900000000, -0.0005290100000000, -0.0000206900000000 ] - [ 0.0002076700000000, -0.0004750000000000, 0.0000844100000000 ] - [ 0.0002496800000000, 0.0000557400000000, 0.0003394800000000 ] - [ 0.0007352600000000, -0.0000424600000000, -0.0001884000000000 ] - [ 0.0002722400000000, 0.0001535800000000, -0.0001338200000000 ] - [ 0.0005658900000000, 0.0001183500000000, -0.0003189500000000 ] - [ 0.0005299800000000, -0.0001111300000000, 0.0000409100000000 ] - [ 0.0001506700000000, -0.0001180700000000, 0.0002275300000000 ] - [ 0.0002954700000000, -0.0000314400000000, -0.0001871900000000 ] - [ 0.0004282800000000, -0.0000763800000000, -0.0001352100000000 ] - [ 0.0000539500000000, -0.0024374000000000, -0.0023611600000000 ] - [ -0.0001918500000000, -0.0000942200000000, 0.0001125100000000 ] - [ -0.0002624400000000, -0.0000042300000000, -0.0000909500000000 ] - [ -0.0004054200000000, -0.0000937600000000, -0.0001442500000000 ] - [ -0.0002574800000000, 0.0001479500000000, -0.0001456300000000 ] - [ -0.0004048800000000, 0.0000188400000000, -0.0000311900000000 ] - [ -0.0003779400000000, 0.0000079100000000, 0.0000735100000000 ] - [ -0.0003768100000000, 0.0001465200000000, 0.0002037900000000 ] - [ 0.0161534900000000, -0.0035931800000000, -0.0200907300000000 ] - [ -0.0005805400000000, 0.0000717400000000, -0.0002349400000000 ] - [ -0.0002181900000000, 0.0000403800000000, 0.0002426500000000 ] - [ 0.0003024300000000, -0.0000038000000000, 0.0006099400000000 ] - [ -0.0003293700000000, -0.0004315200000000, 0.0008495600000000 ] - [ 0.0000837600000000, -0.0000838000000000, -0.0001154300000000 ] - [ -0.0009350400000000, 0.0006910500000000, 0.0002720500000000 ] - [ 0.0001328200000000, -0.0000301400000000, -0.0000682200000000 ] - [ 0.0006917700000000, -0.0000319500000000, 0.0003227600000000 ] - [ -0.0003526400000000, 0.0000719100000000, 0.0001800000000000 ] - [ -0.0000869400000000, -0.0000234000000000, -0.0001810900000000 ] - [ -0.0007171000000000, -0.0017348900000000, 0.0017328800000000 ] - [ -0.0002895200000000, 0.0000304400000000, -0.0001507800000000 ] - [ 0.0004937500000000, -0.0004232000000000, -0.0005207500000000 ] - [ 0.0001510900000000, 0.0000914500000000, 0.0002562800000000 ] - [ -0.0001299500000000, 0.0000793500000000, 0.0002497200000000 ] - [ -0.0014082700000000, 0.0002087300000000, 0.0044786200000000 ] - [ -0.0002862300000000, 0.0003906400000000, -0.0000118600000000 ] - [ -0.0006581600000000, 0.0003602400000000, 0.0004056700000000 ] - [ 0.0011826700000000, 0.0002919000000000, 0.0004566600000000 ] - [ -0.0000582900000000, 0.0005411800000000, -0.0010185100000000 ] - [ -0.0009907900000000, -0.0006711800000000, -0.0004353900000000 ] - [ -0.0001769200000000, -0.0004235100000000, 0.0003373700000000 ] - [ -0.0000813500000000, -0.0004167900000000, 0.0005276700000000 ] - [ -0.0008111100000000, -0.0012436800000000, -0.0008715300000000 ] - [ -0.0012007200000000, 0.0005429300000000, -0.0005216000000000 ] - [ 0.0000710900000000, -0.0002909200000000, 0.0003311700000000 ] - [ 0.0000366100000000, -0.0004452300000000, 0.0004436100000000 ] - [ 0.0003869900000000, 0.0003577000000000, 0.0001318500000000 ] - [ -0.0001093400000000, 0.0003673100000000, 0.0000546100000000 ] - [ -0.0001831200000000, 0.0004110100000000, -0.0001492800000000 ] - [ 0.0003911300000000, 0.0004115900000000, -0.0000746900000000 ] - [ -0.0021265300000000, 0.0007459600000000, -0.0000218300000000 ] - [ -0.0009786400000000, 0.0005163500000000, -0.0023540400000000 ] - [ -0.0004276700000000, 0.0005901700000000, 0.0009678900000000 ] - [ 0.0004465600000000, 0.0007026300000000, -0.0000412100000000 ] - [ 0.0012527400000000, -0.0014844700000000, -0.0001964400000000 ] - [ -0.0000391300000000, -0.0006865100000000, -0.0003840500000000 ] - [ 0.0000990700000000, -0.0006531800000000, -0.0002938700000000 ] - [ 0.0012682500000000, 0.0001453000000000, 0.0008311800000000 ] - [ -0.0003884700000000, -0.0000668800000000, 0.0011969500000000 ] - [ -0.0004828400000000, -0.0006510100000000, 0.0005843600000000 ] - [ -0.0008244000000000, -0.0007543200000000, 0.0002992000000000 ] - [ 0.0005751800000000, -0.0008506900000000, -0.0003638600000000 ] - [ -0.0000969300000000, 0.0008814800000000, -0.0003175100000000 ] - [ -0.0006788400000000, 0.0006310200000000, 0.0003747400000000 ] - [ -0.0004090200000000, 0.0006242000000000, 0.0005438400000000 ] - [ -0.0002489900000000, 0.0006141900000000, 0.0007101900000000 ] - [ 0.0011908800000000, 0.0007828900000000, -0.0039685500000000 ] - [ -0.0010181700000000, 0.0006204600000000, -0.0004314200000000 ] - [ 0.0000813100000000, 0.0004139200000000, -0.0003479000000000 ] - [ -0.0002380200000000, 0.0000907200000000, 0.0008765300000000 ] - [ 0.0002672900000000, -0.0006114900000000, 0.0000115300000000 ] - [ -0.0001659000000000, -0.0004571800000000, -0.0002943000000000 ] - [ -0.0004993000000000, -0.0003871400000000, -0.0007318100000000 ] - [ 0.0013407300000000, -0.0001051400000000, -0.0015996500000000 ] - [ 0.0005942600000000, 0.0043742400000000, 0.0037018600000000 ] - [ -0.0004207000000000, -0.0004310600000000, 0.0003122500000000 ] - [ -0.0003172100000000, -0.0004723400000000, 0.0005990400000000 ] - [ 0.0005217400000000, -0.0005620400000000, 0.0010436600000000 ] - [ -0.0002308800000000, 0.0004150900000000, 0.0003198000000000 ] - [ -0.0000744100000000, 0.0004357400000000, 0.0001618500000000 ] - [ -0.0000676100000000, 0.0003992000000000, 0.0008524800000000 ] - [ 0.0000876600000000, 0.0004897900000000, 0.0006018000000000 ]- atom: 81 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ -0.0009008400000000, 0.0004464200000000, -0.0010342000000000 ] - [ 0.0027332900000000, 0.0017287800000000, -0.0026292000000000 ] - [ 0.0004873800000000, 0.0000642800000000, 0.0007633400000000 ] - [ -0.0005079700000000, 0.0001517500000000, 0.0005483900000000 ] - [ 0.0013734700000000, -0.0004516000000000, 0.0008177100000000 ] - [ -0.0008653700000000, -0.0001508000000000, 0.0002982000000000 ] - [ -0.0007001600000000, -0.0000787700000000, -0.0007400300000000 ] - [ 0.0056344200000000, -0.0044058400000000, -0.0090517600000000 ] - [ -0.0004702700000000, 0.0004968800000000, 0.0005730800000000 ] - [ -0.0000083700000000, -0.0001671600000000, -0.0003175100000000 ] - [ -0.0006825500000000, -0.0003256000000000, 0.0005606500000000 ] - [ 0.0004333200000000, -0.0001492200000000, 0.0001728000000000 ] - [ 0.0021248500000000, 0.0002221400000000, -0.0022688500000000 ] - [ -0.0009397400000000, 0.0001601100000000, -0.0003238400000000 ] - [ -0.0003262700000000, 0.0001366100000000, 0.0005292100000000 ] - [ 0.0004234900000000, 0.0001538800000000, 0.0010340100000000 ] - [ -0.0015922500000000, -0.0006333500000000, -0.0002382800000000 ] - [ -0.0009637000000000, 0.0001347600000000, -0.0001662700000000 ] - [ -0.0003635700000000, 0.0003364600000000, 0.0004793100000000 ] - [ -0.0003519300000000, 0.0001265300000000, 0.0004447900000000 ] - [ -0.0004013100000000, -0.0002205200000000, 0.0004370100000000 ] - [ -0.0004191300000000, -0.0000778000000000, 0.0002520800000000 ] - [ -0.0004331200000000, -0.0000240300000000, 0.0002495600000000 ] - [ -0.0001988800000000, 0.0002514300000000, 0.0001470100000000 ] - [ 0.0003851900000000, 0.0008266100000000, 0.0004055600000000 ] - [ 0.0003333700000000, -0.0000128700000000, -0.0002206500000000 ] - [ 0.0001922700000000, -0.0000701100000000, -0.0002777700000000 ] - [ 0.0008578000000000, -0.0003566600000000, -0.0004377400000000 ] - [ 0.0004024300000000, 0.0003972600000000, -0.0006409500000000 ] - [ 0.0002975000000000, -0.0000922800000000, -0.0002449800000000 ] - [ 0.0003343700000000, -0.0000510200000000, -0.0001599500000000 ] - [ 0.0003507200000000, -0.0000288200000000, -0.0000795900000000 ] - [ -0.0009662800000000, -0.0006172100000000, 0.0012106200000000 ] - [ 0.0000138000000000, -0.0004350400000000, -0.0001861300000000 ] - [ -0.0004221500000000, -0.0005919500000000, 0.0005091100000000 ] - [ 0.0006344100000000, -0.0003299000000000, -0.0015985400000000 ] - [ 0.0008962900000000, 0.0000642700000000, -0.0010779600000000 ] - [ -0.0001932400000000, 0.0004061000000000, -0.0001222000000000 ] - [ -0.0000892700000000, 0.0004352100000000, -0.0000722100000000 ] - [ -0.0001617300000000, 0.0005103000000000, 0.0002695100000000 ] - [ -0.0002905800000000, 0.0003548700000000, 0.0003429600000000 ] - [ 0.0002685600000000, 0.0007121600000000, -0.0006658400000000 ] - [ -0.0002422000000000, 0.0004040600000000, 0.0006263400000000 ] - [ -0.0001663600000000, 0.0004010800000000, 0.0005322600000000 ] - [ 0.0002892000000000, -0.0003550800000000, -0.0000059700000000 ] - [ -0.0002290300000000, -0.0004292300000000, 0.0003844200000000 ] - [ -0.0001161800000000, -0.0004116300000000, 0.0003436800000000 ] - [ 0.0000083800000000, -0.0004423800000000, 0.0003442100000000 ] - [ 0.0027515500000000, -0.0003340800000000, -0.0039685900000000 ] - [ -0.0007941500000000, -0.0003962200000000, -0.0005715900000000 ] - [ -0.0003041200000000, -0.0004824400000000, -0.0001001800000000 ] - [ 0.0003013800000000, -0.0005766300000000, 0.0003819800000000 ] - [ -0.0000581000000000, 0.0003442700000000, 0.0001032900000000 ] - [ -0.0002774100000000, 0.0004861000000000, -0.0001578500000000 ] - [ -0.0006223000000000, 0.0004733900000000, -0.0004125800000000 ] - [ -0.0000637800000000, 0.0004635000000000, -0.0002286300000000 ] - [ 0.0013111900000000, 0.0002265500000000, 0.0008175200000000 ] - [ -0.0000136200000000, 0.0005233600000000, 0.0000362800000000 ] - [ 0.0000644500000000, 0.0004889600000000, 0.0001029100000000 ] - [ 0.0009704000000000, 0.0003066100000000, 0.0007262200000000 ] - [ -0.0000304800000000, -0.0005502300000000, -0.0000240200000000 ] - [ 0.0001839400000000, -0.0004444000000000, -0.0000160600000000 ] - [ 0.0004008300000000, -0.0004322500000000, 0.0003720300000000 ] - [ 0.0002792800000000, -0.0004859800000000, 0.0002680100000000 ] - [ 0.0004836300000000, 0.0001135100000000, -0.0004322000000000 ] - [ -0.0000049700000000, 0.0001944500000000, 0.0000942100000000 ] - [ 0.0004561600000000, -0.0000002700000000, 0.0000390200000000 ] - [ 0.0001615900000000, 0.0000337900000000, 0.0002247400000000 ] - [ 0.0001993900000000, -0.0000420400000000, -0.0001358100000000 ] - [ 0.0005787200000000, -0.0000351000000000, -0.0003212400000000 ] - [ 0.0004325800000000, -0.0001213800000000, 0.0000934100000000 ] - [ 0.0003004400000000, -0.0000771000000000, 0.0000412000000000 ] - [ -0.0007997300000000, 0.0022626500000000, 0.0024572200000000 ] - [ -0.0005352800000000, -0.0000587800000000, -0.0000183300000000 ] - [ -0.0004664900000000, -0.0001496700000000, 0.0001855200000000 ] - [ -0.0003228700000000, -0.0000593200000000, 0.0002379600000000 ] - [ -0.0004708000000000, 0.0000060100000000, 0.0002395700000000 ] - [ -0.0003245800000000, 0.0001349300000000, 0.0001267500000000 ] - [ -0.0003497200000000, 0.0001457100000000, 0.0000175600000000 ] - [ -0.0003521500000000, 0.0000073200000000, -0.0001090600000000 ] - [ -0.0161633300000000, 0.0040242200000000, 0.0203871700000000 ] - [ 0.0005418000000000, 0.0000297200000000, 0.0002385300000000 ] - [ 0.0001809200000000, 0.0000611500000000, -0.0002401300000000 ] - [ -0.0003383100000000, 0.0001053800000000, -0.0006083600000000 ] - [ 0.0002920200000000, 0.0003288900000000, -0.0008432600000000 ] - [ -0.0001216200000000, -0.0000153500000000, 0.0001157000000000 ] - [ 0.0009057800000000, -0.0007993000000000, -0.0002690000000000 ] - [ -0.0001683100000000, -0.0000713100000000, 0.0000725200000000 ] - [ -0.0006525500000000, -0.0000736700000000, -0.0003304300000000 ] - [ 0.0003872400000000, -0.0001725500000000, -0.0001833900000000 ] - [ 0.0001239300000000, -0.0000777500000000, 0.0001789200000000 ] - [ 0.0007639900000000, 0.0016536300000000, -0.0017562300000000 ] - [ 0.0003234500000000, 0.0000713800000000, 0.0001483300000000 ] - [ -0.0004530500000000, 0.0005204500000000, 0.0005153600000000 ] - [ -0.0001148700000000, 0.0000092600000000, -0.0002592000000000 ] - [ 0.0001660900000000, 0.0000218600000000, -0.0002535000000000 ] - [ 0.0011852600000000, 0.0005635800000000, -0.0042945100000000 ] - [ 0.0000826000000000, 0.0003870000000000, 0.0001159400000000 ] - [ 0.0004611100000000, 0.0004201000000000, -0.0002975400000000 ] - [ -0.0013841300000000, 0.0004903800000000, -0.0003440100000000 ] - [ -0.0001436100000000, -0.0013147500000000, 0.0011318800000000 ] - [ 0.0007868500000000, -0.0001094300000000, 0.0005408000000000 ] - [ -0.0000222400000000, -0.0003559700000000, -0.0002290100000000 ] - [ -0.0001162400000000, -0.0003622500000000, -0.0004232200000000 ] - [ 0.0010068300000000, 0.0004652000000000, 0.0007720600000000 ] - [ 0.0013881400000000, -0.0013128200000000, 0.0004094700000000 ] - [ 0.0001268400000000, -0.0004872500000000, -0.0004377100000000 ] - [ 0.0001618100000000, -0.0003337700000000, -0.0005531200000000 ] - [ -0.0001867800000000, 0.0004223700000000, -0.0002414600000000 ] - [ 0.0003061300000000, 0.0004119100000000, -0.0001630000000000 ] - [ 0.0003813100000000, 0.0003679200000000, 0.0000425300000000 ] - [ -0.0001929300000000, 0.0003646400000000, -0.0000275300000000 ] - [ 0.0028527700000000, 0.0005685200000000, -0.0007516900000000 ] - [ 0.0016804300000000, 0.0007973900000000, 0.0015765700000000 ] - [ 0.0011194500000000, 0.0007211900000000, -0.0017297500000000 ] - [ 0.0002523100000000, 0.0006063600000000, -0.0007335100000000 ] - [ -0.0005445200000000, 0.0001719500000000, -0.0005778600000000 ] - [ 0.0007372700000000, -0.0006273500000000, -0.0003886000000000 ] - [ 0.0006003100000000, -0.0006565800000000, -0.0004769700000000 ] - [ -0.0005801000000000, -0.0014647300000000, -0.0016131000000000 ] - [ -0.0003121100000000, -0.0012422300000000, -0.0004228200000000 ] - [ -0.0002198300000000, -0.0006659300000000, 0.0001860800000000 ] - [ 0.0001230400000000, -0.0005546600000000, 0.0004769700000000 ] - [ -0.0012628100000000, -0.0004678800000000, 0.0011465800000000 ] - [ -0.0006017900000000, 0.0004283200000000, 0.0010848900000000 ] - [ -0.0000224400000000, 0.0006795700000000, 0.0003971700000000 ] - [ -0.0002929900000000, 0.0006914500000000, 0.0002295400000000 ] - [ -0.0004539800000000, 0.0007017300000000, 0.0000625700000000 ] - [ -0.0012630700000000, 0.0001207400000000, 0.0029267900000000 ] - [ 0.0010514800000000, 0.0002616300000000, -0.0005248700000000 ] - [ -0.0000446800000000, 0.0004671100000000, -0.0006073100000000 ] - [ 0.0002787900000000, 0.0007942000000000, -0.0018387400000000 ] - [ -0.0002276500000000, -0.0002705900000000, -0.0009672100000000 ] - [ 0.0002009100000000, -0.0004240400000000, -0.0006634400000000 ] - [ 0.0005362900000000, -0.0004938100000000, -0.0002203400000000 ] - [ -0.0013008100000000, -0.0007678200000000, 0.0006509600000000 ] - [ -0.0006093700000000, -0.0051893100000000, -0.0027231100000000 ] - [ 0.0003805300000000, -0.0004500100000000, 0.0006430900000000 ] - [ 0.0002802500000000, -0.0004080300000000, 0.0003571100000000 ] - [ -0.0005612000000000, -0.0003182600000000, -0.0000879600000000 ] - [ 0.0001888500000000, 0.0004644700000000, 0.0006406100000000 ] - [ 0.0000381700000000, 0.0004444300000000, 0.0007938800000000 ] - [ 0.0000299800000000, 0.0004806500000000, 0.0001034500000000 ] - [ -0.0001246500000000, 0.0003904100000000, 0.0003517700000000 ]- atom: 97 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ -0.0010382300000000, 0.0001047000000000, 0.0002128700000000 ] - [ 0.0027146200000000, 0.0006054900000000, 0.0001939600000000 ] - [ 0.0014892100000000, -0.0005750800000000, 0.0006927200000000 ] - [ -0.0008465200000000, 0.0001034100000000, -0.0004172200000000 ] - [ 0.0085771800000000, -0.0033703100000000, 0.0023411800000000 ] - [ -0.0032696200000000, -0.0013107800000000, 0.0002275400000000 ] - [ -0.0002533900000000, -0.0001838000000000, -0.0002643000000000 ] - [ 0.0001013200000000, 0.0001046100000000, 0.0000948200000000 ] - [ 0.0012815700000000, 0.0005936300000000, -0.0000240200000000 ] - [ -0.0010032200000000, -0.0002294700000000, 0.0003976000000000 ] - [ -0.0003254500000000, -0.0001050900000000, 0.0000868400000000 ] - [ 0.0003994900000000, 0.0000122000000000, 0.0002719900000000 ] - [ 0.0002403600000000, -0.0002603500000000, 0.0007291000000000 ] - [ -0.0004832000000000, 0.0003129900000000, -0.0000636600000000 ] - [ -0.0006384100000000, 0.0004684700000000, 0.0006071700000000 ] - [ 0.0005473100000000, -0.0004118100000000, -0.0005358500000000 ] - [ -0.0004541500000000, 0.0000676300000000, 0.0003556200000000 ] - [ -0.0002878500000000, -0.0000809000000000, -0.0000263400000000 ] - [ -0.0000008100000000, 0.0020789300000000, 0.0006841700000000 ] - [ -0.0003436000000000, -0.0002069500000000, -0.0000465700000000 ] - [ 0.0000158400000000, 0.0001876500000000, -0.0000376400000000 ] - [ -0.0004877800000000, -0.0000851900000000, 0.0002615500000000 ] - [ -0.0003924400000000, -0.0000551200000000, 0.0002564500000000 ] - [ -0.0003012700000000, 0.0000065200000000, 0.0002111900000000 ] - [ 0.0041296100000000, -0.0010004100000000, -0.0006551200000000 ] - [ 0.0000918500000000, -0.0000260400000000, -0.0002448300000000 ] - [ 0.0002909900000000, 0.0000048000000000, -0.0002612900000000 ] - [ 0.0004380200000000, -0.0000913600000000, -0.0002064100000000 ] - [ 0.0003432700000000, 0.0000463000000000, -0.0001481700000000 ] - [ 0.0003251800000000, -0.0000162400000000, -0.0002965700000000 ] - [ 0.0003627000000000, -0.0001393900000000, -0.0001195300000000 ] - [ 0.0003595300000000, 0.0003575200000000, -0.0004636200000000 ] - [ 0.0006550700000000, -0.0010311700000000, 0.0052691800000000 ] - [ -0.0005049500000000, -0.0004609100000000, 0.0000738700000000 ] - [ -0.0001206400000000, -0.0004324800000000, -0.0001471400000000 ] - [ 0.0002906900000000, -0.0003871500000000, -0.0004391800000000 ] - [ -0.0001128400000000, 0.0003828800000000, 0.0001890500000000 ] - [ -0.0000793200000000, 0.0003176700000000, -0.0002882000000000 ] - [ -0.0001317100000000, 0.0004239400000000, -0.0000548400000000 ] - [ 0.0002968800000000, 0.0003897000000000, -0.0005961100000000 ] - [ -0.0002533700000000, 0.0004125900000000, 0.0004791200000000 ] - [ 0.0003655700000000, 0.0004216700000000, -0.0001364600000000 ] - [ 0.0003126100000000, 0.0009909400000000, 0.0002579300000000 ] - [ -0.0002660400000000, 0.0003979000000000, 0.0002811800000000 ] - [ 0.0000127300000000, -0.0004806900000000, 0.0002464100000000 ] - [ -0.0001827400000000, -0.0003875300000000, 0.0003076600000000 ] - [ -0.0001344800000000, -0.0004106900000000, 0.0003532300000000 ] - [ 0.0000713000000000, -0.0004397400000000, 0.0001381300000000 ] - [ -0.0003209600000000, -0.0004676600000000, 0.0006148600000000 ] - [ -0.0008423100000000, -0.0000546900000000, -0.0009826200000000 ] - [ -0.0005155400000000, -0.0004393000000000, -0.0000358600000000 ] - [ -0.0005006800000000, -0.0004333900000000, -0.0004146200000000 ] - [ 0.0007574800000000, 0.0002356500000000, 0.0002715300000000 ] - [ -0.0007360700000000, 0.0004377700000000, -0.0004724300000000 ] - [ -0.0003774300000000, 0.0004637500000000, -0.0002361400000000 ] - [ -0.0001581500000000, 0.0004786700000000, -0.0001679900000000 ] - [ 0.0001086500000000, -0.0002946600000000, 0.0004062000000000 ] - [ -0.0004520000000000, 0.0006145600000000, -0.0004075000000000 ] - [ 0.0001441600000000, 0.0004967400000000, 0.0001512000000000 ] - [ 0.0003143200000000, 0.0004653400000000, 0.0001812400000000 ] - [ 0.0001322300000000, -0.0005032500000000, 0.0001444400000000 ] - [ 0.0003861100000000, -0.0004067200000000, 0.0002174600000000 ] - [ 0.0004946000000000, -0.0004309800000000, 0.0003074900000000 ] - [ -0.0000122300000000, -0.0004889700000000, 0.0000154500000000 ] - [ -0.0001036900000000, -0.0001361000000000, 0.0002170500000000 ] - [ -0.0012093100000000, 0.0010494300000000, -0.0012727300000000 ] - [ 0.0003699500000000, 0.0001069900000000, 0.0001230800000000 ] - [ 0.0003057100000000, 0.0000480200000000, -0.0000952000000000 ] - [ 0.0002799800000000, -0.0000768600000000, -0.0000212900000000 ] - [ 0.0004729400000000, -0.0001337700000000, -0.0000695700000000 ] - [ 0.0004153600000000, -0.0000532000000000, -0.0001171300000000 ] - [ 0.0002460600000000, -0.0000520100000000, -0.0000138300000000 ] - [ 0.0010574100000000, -0.0010037100000000, 0.0010623400000000 ] - [ -0.0005613600000000, -0.0001533700000000, 0.0001163800000000 ] - [ -0.0004818900000000, -0.0000487900000000, 0.0001144400000000 ] - [ -0.0001572400000000, -0.0001871800000000, -0.0001061300000000 ] - [ -0.0004201300000000, -0.0000420100000000, 0.0001507200000000 ] - [ -0.0003706100000000, 0.0002091600000000, 0.0000388500000000 ] - [ -0.0003827800000000, 0.0001392600000000, 0.0001110300000000 ] - [ -0.0003621000000000, 0.0000231600000000, 0.0000062200000000 ] - [ -0.0000515200000000, -0.0000665700000000, -0.0018267100000000 ] - [ 0.0006764300000000, -0.0000603900000000, 0.0004031700000000 ] - [ 0.0005190800000000, 0.0000300300000000, -0.0002623500000000 ] - [ -0.0004152000000000, 0.0001819900000000, 0.0013954300000000 ] - [ -0.0001250700000000, 0.0013433200000000, -0.0000392700000000 ] - [ 0.0008788100000000, -0.0007433400000000, -0.0003777800000000 ] - [ 0.0001238100000000, -0.0000704700000000, 0.0000289700000000 ] - [ -0.0000849400000000, -0.0000105800000000, -0.0000391700000000 ] - [ 0.0015946700000000, 0.0016049400000000, 0.0002325800000000 ] - [ 0.0016236500000000, -0.0013670400000000, -0.0002532500000000 ] - [ 0.0000772600000000, -0.0001015000000000, 0.0000139700000000 ] - [ 0.0000391600000000, 0.0000082700000000, -0.0000686000000000 ] - [ 0.0002959100000000, 0.0000157800000000, -0.0001281700000000 ] - [ -0.0003707800000000, 0.0002556200000000, 0.0000337200000000 ] - [ -0.0003245900000000, 0.0000576500000000, 0.0000682600000000 ] - [ 0.0003299900000000, 0.0000083700000000, 0.0000068400000000 ] - [ -0.0258122100000000, 0.0012249700000000, 0.0036894300000000 ] - [ 0.0006821900000000, 0.0003943800000000, -0.0000306000000000 ] - [ 0.0001245400000000, 0.0004090800000000, 0.0000309200000000 ] - [ -0.0004149400000000, 0.0003516100000000, 0.0000988700000000 ] - [ 0.0000180600000000, -0.0004728700000000, -0.0002637500000000 ] - [ 0.0000067900000000, -0.0002846000000000, 0.0001863100000000 ] - [ 0.0000192500000000, -0.0000687800000000, -0.0002699400000000 ] - [ 0.0000063700000000, -0.0009889000000000, 0.0009629200000000 ] - [ 0.0003790900000000, -0.0002833500000000, -0.0003445800000000 ] - [ 0.0001243900000000, -0.0009938900000000, 0.0008783100000000 ] - [ -0.0001322900000000, -0.0012272500000000, -0.0005965700000000 ] - [ 0.0003121100000000, -0.0002188900000000, 0.0001398200000000 ] - [ -0.0002869200000000, 0.0002769900000000, 0.0000557700000000 ] - [ 0.0004884000000000, 0.0003315700000000, -0.0000394100000000 ] - [ 0.0002575500000000, 0.0003816000000000, -0.0000707400000000 ] - [ -0.0000830900000000, 0.0004153200000000, -0.0000275000000000 ] - [ 0.0006050300000000, 0.0006287000000000, -0.0005783500000000 ] - [ 0.0001281000000000, 0.0006932800000000, 0.0000217000000000 ] - [ 0.0068429000000000, 0.0020619600000000, -0.0145375700000000 ] - [ 0.0015047300000000, 0.0011781100000000, 0.0002901400000000 ] - [ 0.0000569500000000, -0.0024988700000000, -0.0014775800000000 ] - [ 0.0008135700000000, -0.0004527800000000, -0.0002104200000000 ] - [ 0.0006109000000000, -0.0006360500000000, -0.0004805200000000 ] - [ -0.0000789900000000, -0.0006648600000000, -0.0002322100000000 ] - [ -0.0033435800000000, -0.0008599000000000, 0.0003381500000000 ] - [ 0.0002506500000000, -0.0006649000000000, 0.0004443100000000 ] - [ -0.0000571200000000, -0.0006818600000000, 0.0003063000000000 ] - [ -0.0007972400000000, -0.0006024400000000, 0.0005601500000000 ] - [ -0.0003534400000000, 0.0007124400000000, 0.0002562200000000 ] - [ -0.0002131100000000, 0.0006590700000000, 0.0004363700000000 ] - [ -0.0002976500000000, 0.0007104100000000, 0.0001868600000000 ] - [ -0.0003943200000000, 0.0004604500000000, 0.0006708600000000 ] - [ 0.0010265500000000, 0.0004245800000000, -0.0015951200000000 ] - [ 0.0039412600000000, 0.0007511600000000, 0.0025007700000000 ] - [ 0.0001844700000000, 0.0004579100000000, -0.0009049800000000 ] - [ 0.0002839300000000, 0.0004236300000000, -0.0002472100000000 ] - [ -0.0012920500000000, -0.0008839100000000, -0.0001272300000000 ] - [ 0.0007233500000000, -0.0003257700000000, -0.0004233200000000 ] - [ 0.0002639800000000, -0.0004130600000000, -0.0005085900000000 ] - [ -0.0004124700000000, -0.0004233600000000, -0.0001439200000000 ] - [ -0.0004634600000000, 0.0032421700000000, -0.0014071200000000 ] - [ 0.0007399400000000, -0.0005309700000000, 0.0007881400000000 ] - [ 0.0002274600000000, -0.0004745000000000, 0.0003908100000000 ] - [ -0.0003111200000000, -0.0003324800000000, 0.0006390900000000 ] - [ 0.0000989000000000, 0.0004247800000000, 0.0004281100000000 ] - [ -0.0000987500000000, 0.0004019600000000, 0.0005106900000000 ] - [ -0.0001838500000000, 0.0004794400000000, 0.0002972200000000 ] - [ 0.0001971700000000, 0.0004272500000000, 0.0006369700000000 ]- atom: 97 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ 0.0009967300000000, 0.0000781500000000, -0.0005167800000000 ] - [ -0.0027465300000000, -0.0004280300000000, -0.0005051500000000 ] - [ -0.0015287600000000, 0.0007562600000000, -0.0009980300000000 ] - [ 0.0008035800000000, 0.0000787700000000, 0.0001042300000000 ] - [ -0.0082354000000000, 0.0029859900000000, -0.0024859900000000 ] - [ 0.0032313700000000, 0.0011331600000000, -0.0005417900000000 ] - [ 0.0002112500000000, 0.0000022700000000, -0.0000440300000000 ] - [ -0.0001387100000000, -0.0002875200000000, -0.0004054400000000 ] - [ -0.0012519900000000, -0.0007656000000000, 0.0003266000000000 ] - [ 0.0010418600000000, 0.0000478000000000, -0.0000868600000000 ] - [ 0.0003651700000000, -0.0000766400000000, 0.0002207800000000 ] - [ -0.0003598100000000, -0.0001933600000000, 0.0000381000000000 ] - [ -0.0001964500000000, 0.0004436000000000, -0.0004244700000000 ] - [ 0.0005196300000000, -0.0001318400000000, 0.0003726800000000 ] - [ 0.0006736400000000, -0.0002869600000000, -0.0003013500000000 ] - [ -0.0004939500000000, 0.0005959900000000, 0.0008478900000000 ] - [ -0.0002470100000000, -0.0000167000000000, 0.0001279400000000 ] - [ -0.0004148600000000, 0.0001320200000000, 0.0005090800000000 ] - [ -0.0007029800000000, -0.0020264800000000, -0.0001915900000000 ] - [ -0.0003567500000000, 0.0002570100000000, 0.0005278100000000 ] - [ -0.0007157400000000, -0.0002387100000000, 0.0005199800000000 ] - [ -0.0002146500000000, 0.0000337100000000, 0.0002217500000000 ] - [ -0.0003095700000000, 0.0000025400000000, 0.0002271600000000 ] - [ -0.0004002400000000, -0.0000584100000000, 0.0002720600000000 ] - [ -0.0034180000000000, 0.0009903900000000, 0.0002034500000000 ] - [ 0.0006095500000000, -0.0000247000000000, -0.0002383400000000 ] - [ 0.0004109500000000, -0.0000576800000000, -0.0002223700000000 ] - [ 0.0002639200000000, 0.0000385000000000, -0.0002776600000000 ] - [ 0.0003589900000000, 0.0000067000000000, -0.0003352300000000 ] - [ 0.0003762300000000, 0.0000684700000000, -0.0001871200000000 ] - [ 0.0003387200000000, 0.0001902000000000, -0.0003633800000000 ] - [ 0.0003424800000000, -0.0003025300000000, -0.0000217600000000 ] - [ -0.0006476500000000, 0.0001749400000000, -0.0056905100000000 ] - [ 0.0005810200000000, -0.0003754000000000, -0.0005924000000000 ] - [ 0.0001985500000000, -0.0004034900000000, -0.0003710200000000 ] - [ -0.0002119400000000, -0.0004485000000000, -0.0000805600000000 ] - [ 0.0001924500000000, 0.0004540400000000, -0.0007077700000000 ] - [ 0.0001564100000000, 0.0005189100000000, -0.0002291300000000 ] - [ 0.0002101400000000, 0.0004117800000000, -0.0004643900000000 ] - [ -0.0002150800000000, 0.0004451300000000, 0.0000732300000000 ] - [ 0.0001742400000000, 0.0004229200000000, 0.0000410100000000 ] - [ -0.0004445400000000, 0.0004141900000000, 0.0006552200000000 ] - [ -0.0004032300000000, -0.0001611500000000, 0.0002729600000000 ] - [ 0.0001885800000000, 0.0004382600000000, 0.0002354700000000 ] - [ -0.0000898300000000, -0.0003544100000000, 0.0002724400000000 ] - [ 0.0001027500000000, -0.0004482700000000, 0.0002129100000000 ] - [ 0.0000564100000000, -0.0004254500000000, 0.0001651100000000 ] - [ -0.0001480200000000, -0.0003964500000000, 0.0003790000000000 ] - [ -0.0001605100000000, -0.0004938000000000, -0.0009591400000000 ] - [ 0.0003511500000000, -0.0009134600000000, 0.0006318800000000 ] - [ 0.0000285100000000, -0.0005218000000000, -0.0003162200000000 ] - [ 0.0000165500000000, -0.0005287600000000, 0.0000637700000000 ] - [ -0.0012455300000000, 0.0007187200000000, -0.0006203700000000 ] - [ 0.0002475900000000, 0.0005234300000000, 0.0001200100000000 ] - [ -0.0001089000000000, 0.0004972700000000, -0.0001154300000000 ] - [ -0.0003284200000000, 0.0004823200000000, -0.0001843000000000 ] - [ 0.0003896200000000, 0.0012535100000000, -0.0000500900000000 ] - [ 0.0009382900000000, 0.0003466500000000, 0.0007603900000000 ] - [ 0.0003412400000000, 0.0004644100000000, 0.0001999200000000 ] - [ 0.0001725900000000, 0.0004957200000000, 0.0001704500000000 ] - [ 0.0003543600000000, -0.0004579200000000, 0.0002072500000000 ] - [ 0.0000990700000000, -0.0005545600000000, 0.0001329200000000 ] - [ -0.0000089000000000, -0.0005284200000000, 0.0000449600000000 ] - [ 0.0004979000000000, -0.0004718900000000, 0.0003355400000000 ] - [ 0.0008303500000000, 0.0002873700000000, -0.0003097200000000 ] - [ 0.0019364700000000, -0.0009025600000000, 0.0011849900000000 ] - [ 0.0003581100000000, 0.0000449700000000, -0.0002168200000000 ] - [ 0.0004231600000000, 0.0001053500000000, 0.0000003100000000 ] - [ 0.0004481800000000, -0.0000765900000000, -0.0000729700000000 ] - [ 0.0002563900000000, -0.0000199300000000, -0.0000252400000000 ] - [ 0.0003159200000000, -0.0000990100000000, 0.0000213800000000 ] - [ 0.0004818500000000, -0.0001005300000000, -0.0000808900000000 ] - [ -0.0017652100000000, 0.0008646300000000, -0.0009854000000000 ] - [ -0.0001673600000000, -0.0000005100000000, -0.0000215900000000 ] - [ -0.0002469600000000, -0.0001049500000000, -0.0000202500000000 ] - [ -0.0005708900000000, 0.0000331900000000, 0.0002005000000000 ] - [ -0.0003091400000000, 0.0001957600000000, -0.0000562600000000 ] - [ -0.0003575200000000, -0.0000536200000000, 0.0000554000000000 ] - [ -0.0003455900000000, 0.0000143300000000, -0.0000168400000000 ] - [ -0.0003666700000000, 0.0001300400000000, 0.0000880500000000 ] - [ 0.0000079700000000, 0.0001700400000000, 0.0018236900000000 ] - [ -0.0007151500000000, 0.0001634400000000, -0.0004041700000000 ] - [ -0.0005538900000000, 0.0000717000000000, 0.0002659500000000 ] - [ 0.0003719500000000, -0.0000768400000000, -0.0013894900000000 ] - [ 0.0000909600000000, -0.0014499200000000, 0.0000407900000000 ] - [ -0.0009096000000000, 0.0006344600000000, 0.0003754100000000 ] - [ -0.0001606900000000, -0.0000311200000000, -0.0000252200000000 ] - [ 0.0000490800000000, -0.0000910000000000, 0.0000423700000000 ] - [ -0.0015406500000000, -0.0016840700000000, -0.0002328100000000 ] - [ -0.0016039200000000, 0.0012813900000000, 0.0002565900000000 ] - [ -0.0000395300000000, 0.0000002600000000, -0.0000171800000000 ] - [ -0.0000036300000000, -0.0001094100000000, 0.0000664300000000 ] - [ -0.0002589000000000, 0.0000853700000000, 0.0001237900000000 ] - [ 0.0004065800000000, -0.0001531800000000, -0.0000353100000000 ] - [ 0.0003604600000000, 0.0000424500000000, -0.0000727800000000 ] - [ -0.0002927800000000, 0.0000926400000000, -0.0000090400000000 ] - [ 0.0253761300000000, -0.0001854200000000, -0.0038875800000000 ] - [ -0.0008785500000000, 0.0003845400000000, 0.0001371000000000 ] - [ -0.0003221400000000, 0.0003703500000000, 0.0000768700000000 ] - [ 0.0002162000000000, 0.0004278000000000, 0.0000094700000000 ] - [ -0.0002176300000000, -0.0003067000000000, 0.0003710300000000 ] - [ -0.0002012600000000, -0.0004944400000000, -0.0000785300000000 ] - [ -0.0002163200000000, -0.0007104300000000, 0.0003775600000000 ] - [ -0.0002051500000000, 0.0002030900000000, -0.0008450300000000 ] - [ -0.0001816700000000, -0.0004946700000000, 0.0002351600000000 ] - [ 0.0000771800000000, 0.0002167000000000, -0.0009878900000000 ] - [ 0.0003355700000000, 0.0004495000000000, 0.0004822200000000 ] - [ -0.0001153600000000, -0.0005584800000000, -0.0002451900000000 ] - [ 0.0004820100000000, 0.0004996300000000, -0.0001631900000000 ] - [ -0.0002883800000000, 0.0004475300000000, -0.0000687000000000 ] - [ -0.0000589800000000, 0.0003975300000000, -0.0000367100000000 ] - [ 0.0002803300000000, 0.0003636300000000, -0.0000788300000000 ] - [ 0.0000960400000000, 0.0006868100000000, -0.0001956200000000 ] - [ 0.0005747500000000, 0.0006197800000000, -0.0007919000000000 ] - [ -0.0061536100000000, -0.0007699000000000, 0.0138905600000000 ] - [ -0.0007988800000000, 0.0001373200000000, -0.0010539200000000 ] - [ 0.0006362500000000, 0.0011727100000000, 0.0007006500000000 ] - [ -0.0001105700000000, -0.0008617900000000, -0.0005629200000000 ] - [ 0.0000891100000000, -0.0006732600000000, -0.0002903100000000 ] - [ 0.0007758200000000, -0.0006444600000000, -0.0005362900000000 ] - [ 0.0026505200000000, -0.0005335300000000, 0.0003756600000000 ] - [ -0.0009517200000000, -0.0006500100000000, 0.0003300600000000 ] - [ -0.0006416200000000, -0.0006271200000000, 0.0004644500000000 ] - [ 0.0000979600000000, -0.0007073500000000, 0.0002119200000000 ] - [ -0.0003485900000000, 0.0005965500000000, 0.0005146600000000 ] - [ -0.0004840400000000, 0.0006518300000000, 0.0003350800000000 ] - [ -0.0004031100000000, 0.0006049000000000, 0.0005858500000000 ] - [ -0.0003091900000000, 0.0008519800000000, 0.0001036500000000 ] - [ -0.0009843300000000, 0.0004563900000000, 0.0006279500000000 ] - [ -0.0039712400000000, 0.0001208000000000, -0.0035111100000000 ] - [ -0.0001462800000000, 0.0004239200000000, -0.0000504500000000 ] - [ -0.0002484900000000, 0.0004580700000000, -0.0007082300000000 ] - [ 0.0013184100000000, 0.0000115300000000, -0.0008335900000000 ] - [ -0.0006844900000000, -0.0005562700000000, -0.0005312800000000 ] - [ -0.0002261900000000, -0.0004679800000000, -0.0004477900000000 ] - [ 0.0004478300000000, -0.0004566500000000, -0.0008091100000000 ] - [ 0.0003943900000000, -0.0041262400000000, 0.0023673300000000 ] - [ -0.0007768000000000, -0.0003491700000000, 0.0001660300000000 ] - [ -0.0002638500000000, -0.0004060800000000, 0.0005655100000000 ] - [ 0.0002727700000000, -0.0005477400000000, 0.0003161500000000 ] - [ -0.0001369900000000, 0.0004555500000000, 0.0005275700000000 ] - [ 0.0000629000000000, 0.0004790700000000, 0.0004455700000000 ] - [ 0.0001494200000000, 0.0003993000000000, 0.0006575300000000 ] - [ -0.0002350800000000, 0.0004518900000000, 0.0003196200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000716000000000, 0.0002311100000000, -0.0002628600000000 ] - [ 0.0005852800000000, 0.0035059700000000, 0.0012799800000000 ] - [ -0.0000499100000000, 0.0001976800000000, 0.0006889400000000 ] - [ 0.0000639100000000, 0.0001497400000000, -0.0000080000000000 ] - [ -0.0024024400000000, 0.0036720200000000, -0.0007989600000000 ] - [ -0.0011392800000000, 0.0006006000000000, 0.0002115300000000 ] - [ -0.0001351400000000, 0.0001156100000000, -0.0003723700000000 ] - [ 0.0000989800000000, 0.0001701700000000, -0.0003197000000000 ] - [ 0.0017219200000000, -0.0038415400000000, 0.0013933900000000 ] - [ -0.0002702500000000, -0.0006247500000000, 0.0003041500000000 ] - [ -0.0000180200000000, -0.0002124800000000, 0.0000946100000000 ] - [ 0.0000280200000000, -0.0004146100000000, -0.0001024400000000 ] - [ -0.0003586000000000, -0.0002730400000000, 0.0012157800000000 ] - [ 0.0002422900000000, -0.0001268400000000, 0.0002711400000000 ] - [ 0.0004273100000000, -0.0002045500000000, -0.0000695500000000 ] - [ -0.0015930200000000, -0.0008001900000000, -0.0011820000000000 ] - [ -0.0003573600000000, 0.0001383500000000, 0.0002827500000000 ] - [ -0.0004001000000000, 0.0005277100000000, 0.0004943700000000 ] - [ 0.0003179500000000, 0.0011596000000000, -0.0002219900000000 ] - [ -0.0005044000000000, 0.0002662800000000, 0.0002984300000000 ] - [ -0.0004693000000000, -0.0009357700000000, 0.0009129800000000 ] - [ -0.0004160700000000, -0.0001972700000000, 0.0003117600000000 ] - [ -0.0003584400000000, -0.0000768100000000, 0.0002494400000000 ] - [ -0.0003498500000000, -0.0001258600000000, 0.0002312900000000 ] - [ 0.0008064300000000, -0.0052179800000000, -0.0057753500000000 ] - [ 0.0003585400000000, 0.0001377000000000, -0.0001995800000000 ] - [ 0.0003472300000000, 0.0000220100000000, -0.0002365600000000 ] - [ 0.0003452900000000, 0.0001090900000000, -0.0002063700000000 ] - [ 0.0004000400000000, -0.0002392400000000, -0.0001377300000000 ] - [ 0.0002521600000000, -0.0002494600000000, -0.0002002700000000 ] - [ 0.0003495600000000, -0.0001287000000000, -0.0001790600000000 ] - [ 0.0003230900000000, -0.0002096500000000, -0.0001252000000000 ] - [ -0.0011091800000000, 0.0037686900000000, 0.0014717700000000 ] - [ 0.0001377700000000, -0.0003364900000000, -0.0003578000000000 ] - [ 0.0000446600000000, -0.0004086500000000, -0.0002839000000000 ] - [ 0.0001389800000000, -0.0003778300000000, -0.0004163600000000 ] - [ 0.0005113800000000, 0.0008385200000000, -0.0011049900000000 ] - [ -0.0001134500000000, 0.0004194500000000, -0.0002257800000000 ] - [ -0.0000219400000000, 0.0004370600000000, -0.0001790100000000 ] - [ -0.0000191600000000, 0.0004458900000000, -0.0001560200000000 ] - [ -0.0000907800000000, 0.0004066500000000, 0.0003296700000000 ] - [ -0.0002157100000000, 0.0003950600000000, 0.0005321000000000 ] - [ 0.0019520100000000, 0.0019005800000000, -0.0018246400000000 ] - [ -0.0000952400000000, 0.0004382200000000, 0.0001755900000000 ] - [ -0.0001134100000000, -0.0007058600000000, 0.0002468200000000 ] - [ -0.0000894600000000, -0.0005164600000000, 0.0002425500000000 ] - [ -0.0000133500000000, -0.0004297200000000, 0.0002105000000000 ] - [ -0.0000062800000000, -0.0004241500000000, 0.0002005400000000 ] - [ -0.0002440500000000, -0.0002692600000000, -0.0003438300000000 ] - [ -0.0004249500000000, -0.0005554700000000, -0.0003445600000000 ] - [ -0.0002555600000000, -0.0004289900000000, -0.0001415900000000 ] - [ -0.0004175000000000, -0.0004316200000000, -0.0002657400000000 ] - [ -0.0007295900000000, -0.0009298300000000, 0.0004440700000000 ] - [ -0.0001406500000000, 0.0005034800000000, -0.0001081500000000 ] - [ -0.0002532600000000, 0.0004779700000000, -0.0002091000000000 ] - [ -0.0004045200000000, 0.0004492800000000, -0.0004035000000000 ] - [ -0.0014877800000000, 0.0001494900000000, -0.0003615800000000 ] - [ 0.0005813700000000, 0.0003687300000000, 0.0005099100000000 ] - [ 0.0002790100000000, 0.0004676600000000, 0.0001552700000000 ] - [ 0.0001697300000000, 0.0004856100000000, 0.0001142700000000 ] - [ 0.0002198700000000, -0.0005117400000000, 0.0001499200000000 ] - [ 0.0001730400000000, -0.0005796700000000, 0.0001329600000000 ] - [ 0.0003198900000000, -0.0008094800000000, 0.0000077100000000 ] - [ 0.0001876900000000, -0.0005107800000000, 0.0001277000000000 ] - [ 0.0002883200000000, 0.0003709500000000, 0.0001356400000000 ] - [ 0.0008769700000000, 0.0008331700000000, 0.0002726700000000 ] - [ 0.0004361600000000, 0.0003334000000000, -0.0001678300000000 ] - [ 0.0003730100000000, 0.0001247400000000, -0.0000555000000000 ] - [ 0.0003097200000000, -0.0001312600000000, -0.0000827200000000 ] - [ 0.0004274600000000, -0.0003040000000000, -0.0000879000000000 ] - [ 0.0007308400000000, -0.0005825300000000, -0.0003560000000000 ] - [ 0.0003580300000000, -0.0001504400000000, -0.0000289200000000 ] - [ -0.0014739000000000, -0.0003363400000000, 0.0026062700000000 ] - [ -0.0003484200000000, 0.0000434300000000, 0.0000669900000000 ] - [ -0.0003673100000000, -0.0000260200000000, 0.0000404400000000 ] - [ -0.0004078000000000, 0.0000394000000000, -0.0000384100000000 ] - [ -0.0004474400000000, -0.0002971900000000, 0.0004233700000000 ] - [ -0.0003469500000000, -0.0000855400000000, 0.0000782800000000 ] - [ -0.0003282700000000, -0.0000436000000000, -0.0000062100000000 ] - [ -0.0003197000000000, -0.0000519400000000, -0.0000245600000000 ] - [ -0.0000445300000000, -0.0009879600000000, -0.0002597300000000 ] - [ 0.0000756500000000, -0.0001430500000000, 0.0000928500000000 ] - [ -0.0000286400000000, -0.0001471500000000, -0.0000508000000000 ] - [ 0.0002451000000000, -0.0007858900000000, 0.0001111900000000 ] - [ 0.0011918200000000, 0.0023839600000000, -0.0001223600000000 ] - [ -0.0003187600000000, 0.0003277700000000, 0.0001058300000000 ] - [ -0.0000274900000000, -0.0000155000000000, 0.0000390100000000 ] - [ 0.0000455200000000, 0.0000622500000000, 0.0000984900000000 ] - [ 0.0016222800000000, -0.0000146100000000, 0.0003362600000000 ] - [ -0.0012304100000000, 0.0000475300000000, 0.0000994500000000 ] - [ -0.0000516900000000, -0.0001113900000000, 0.0000678200000000 ] - [ 0.0000787400000000, -0.0001467000000000, -0.0000213700000000 ] - [ 0.0000338200000000, 0.0002138300000000, -0.0000160300000000 ] - [ -0.0000671300000000, 0.0009887400000000, -0.0001152300000000 ] - [ 0.0000156100000000, 0.0006426900000000, 0.0000424400000000 ] - [ 0.0000092500000000, 0.0001781500000000, 0.0000209500000000 ] - [ 0.0005198100000000, -0.0295391800000000, -0.0036557400000000 ] - [ -0.0000939300000000, 0.0001467800000000, 0.0000741800000000 ] - [ -0.0000796400000000, 0.0003183400000000, 0.0000734400000000 ] - [ -0.0001367900000000, 0.0002147600000000, 0.0001307300000000 ] - [ -0.0004181100000000, -0.0002479300000000, 0.0004766800000000 ] - [ 0.0004956700000000, -0.0001187400000000, 0.0002453000000000 ] - [ -0.0000163300000000, -0.0002464200000000, -0.0001306200000000 ] - [ -0.0002049000000000, -0.0001171400000000, -0.0002812700000000 ] - [ 0.0002048400000000, -0.0004875000000000, -0.0001670200000000 ] - [ -0.0005101700000000, -0.0003080100000000, -0.0010281700000000 ] - [ -0.0007406200000000, -0.0009228000000000, 0.0010155300000000 ] - [ 0.0002693900000000, -0.0005508100000000, 0.0000391500000000 ] - [ 0.0002111300000000, 0.0015999400000000, -0.0003076300000000 ] - [ 0.0001562800000000, 0.0006541700000000, -0.0001171800000000 ] - [ 0.0001068300000000, 0.0004771300000000, -0.0000240800000000 ] - [ 0.0000733100000000, 0.0005802100000000, -0.0000266900000000 ] - [ 0.0003535900000000, 0.0005371900000000, -0.0003681900000000 ] - [ 0.0005604800000000, 0.0000254700000000, -0.0000678500000000 ] - [ 0.0025548800000000, -0.0026494500000000, -0.0038739800000000 ] - [ -0.0000683700000000, 0.0001098600000000, -0.0007804200000000 ] - [ -0.0016988300000000, 0.0020837500000000, 0.0008843200000000 ] - [ 0.0005833500000000, -0.0005875100000000, -0.0004289400000000 ] - [ 0.0004053600000000, -0.0006387000000000, -0.0004370200000000 ] - [ 0.0003526200000000, -0.0006184200000000, -0.0004447700000000 ] - [ -0.0021465300000000, 0.0148550300000000, 0.0129393800000000 ] - [ -0.0002875600000000, -0.0007095900000000, 0.0004276500000000 ] - [ -0.0003170900000000, -0.0006790700000000, 0.0003276700000000 ] - [ -0.0002513000000000, -0.0007054700000000, 0.0001600200000000 ] - [ -0.0002013400000000, 0.0011139400000000, 0.0002540300000000 ] - [ -0.0004411100000000, 0.0011002300000000, 0.0002873700000000 ] - [ -0.0003722600000000, 0.0008443800000000, 0.0004278600000000 ] - [ -0.0002612700000000, 0.0009401000000000, 0.0005227600000000 ] - [ -0.0001514300000000, -0.0000058400000000, -0.0002756700000000 ] - [ 0.0008248600000000, -0.0002184700000000, -0.0002417700000000 ] - [ 0.0000087600000000, 0.0001883100000000, -0.0004823900000000 ] - [ 0.0001300800000000, 0.0003437300000000, -0.0004029900000000 ] - [ -0.0007476900000000, 0.0021733200000000, -0.0022686000000000 ] - [ -0.0000052500000000, -0.0003929100000000, -0.0005781900000000 ] - [ 0.0000701900000000, -0.0004239800000000, -0.0004110600000000 ] - [ -0.0004272900000000, -0.0002452600000000, 0.0003537900000000 ] - [ 0.0044530800000000, 0.0072975200000000, -0.0045159700000000 ] - [ -0.0002775900000000, -0.0004286100000000, 0.0002295100000000 ] - [ -0.0000703900000000, -0.0004598700000000, 0.0005311700000000 ] - [ 0.0000294200000000, -0.0005016700000000, 0.0006945400000000 ] - [ 0.0000397600000000, 0.0005969500000000, 0.0004936000000000 ] - [ -0.0000291300000000, 0.0006503900000000, 0.0005349000000000 ] - [ -0.0002791200000000, 0.0011585200000000, 0.0003794500000000 ] - [ 0.0001334500000000, 0.0007131600000000, 0.0004414100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001109000000000, -0.0000511500000000, -0.0000468800000000 ] - [ -0.0006674100000000, -0.0034222800000000, -0.0017290600000000 ] - [ 0.0000150800000000, -0.0000279400000000, -0.0009867200000000 ] - [ -0.0001035000000000, 0.0000309200000000, -0.0002996400000000 ] - [ 0.0024357000000000, -0.0038684400000000, 0.0005137600000000 ] - [ 0.0010868700000000, -0.0007915100000000, -0.0005256400000000 ] - [ 0.0000960900000000, -0.0002986900000000, 0.0000654900000000 ] - [ -0.0001391800000000, -0.0003549900000000, 0.0000116100000000 ] - [ -0.0016726000000000, 0.0036520300000000, -0.0010745800000000 ] - [ 0.0003085200000000, 0.0004436300000000, 0.0000035900000000 ] - [ 0.0000573000000000, 0.0000306400000000, 0.0002146600000000 ] - [ 0.0000126500000000, 0.0002330300000000, 0.0004107700000000 ] - [ 0.0003953400000000, 0.0004577600000000, -0.0009002700000000 ] - [ -0.0002013300000000, 0.0003099300000000, 0.0000379200000000 ] - [ -0.0003852300000000, 0.0003883700000000, 0.0003775100000000 ] - [ 0.0016179300000000, 0.0009842100000000, 0.0014826100000000 ] - [ -0.0003439600000000, -0.0000870400000000, 0.0002002500000000 ] - [ -0.0003019000000000, -0.0004753400000000, -0.0000120300000000 ] - [ -0.0010203100000000, -0.0010846300000000, 0.0007149600000000 ] - [ -0.0001970100000000, -0.0002128200000000, 0.0001858700000000 ] - [ -0.0002320100000000, 0.0008801400000000, -0.0004298300000000 ] - [ -0.0002850400000000, 0.0001450200000000, 0.0001717100000000 ] - [ -0.0003434600000000, 0.0000236000000000, 0.0002347500000000 ] - [ -0.0003524300000000, 0.0000719900000000, 0.0002532200000000 ] - [ -0.0000840100000000, 0.0052353400000000, 0.0053280100000000 ] - [ 0.0003430000000000, -0.0001874300000000, -0.0002829400000000 ] - [ 0.0003545700000000, -0.0000744300000000, -0.0002470400000000 ] - [ 0.0003561000000000, -0.0001607800000000, -0.0002770200000000 ] - [ 0.0003012500000000, 0.0002908400000000, -0.0003450100000000 ] - [ 0.0004501400000000, 0.0003013600000000, -0.0002823900000000 ] - [ 0.0003524800000000, 0.0001776400000000, -0.0003030500000000 ] - [ 0.0003781600000000, 0.0002587000000000, -0.0003569700000000 ] - [ 0.0011400000000000, -0.0046202500000000, -0.0019318000000000 ] - [ -0.0000589000000000, -0.0004992400000000, -0.0001620100000000 ] - [ 0.0000330200000000, -0.0004275100000000, -0.0002343200000000 ] - [ -0.0000615100000000, -0.0004585400000000, -0.0001012300000000 ] - [ -0.0004323500000000, -0.0000112500000000, 0.0005888800000000 ] - [ 0.0001928100000000, 0.0004155800000000, -0.0002939000000000 ] - [ 0.0001006200000000, 0.0003984300000000, -0.0003399400000000 ] - [ 0.0000976700000000, 0.0003892400000000, -0.0003631100000000 ] - [ 0.0000117000000000, 0.0004289100000000, 0.0001900000000000 ] - [ 0.0001364300000000, 0.0004406500000000, -0.0000123100000000 ] - [ -0.0020157700000000, -0.0010375500000000, 0.0023384900000000 ] - [ 0.0000176900000000, 0.0003980400000000, 0.0003423000000000 ] - [ 0.0000325200000000, -0.0001304200000000, 0.0002734200000000 ] - [ 0.0000122600000000, -0.0003190400000000, 0.0002759800000000 ] - [ -0.0000642200000000, -0.0004066000000000, 0.0003077200000000 ] - [ -0.0000718400000000, -0.0004119800000000, 0.0003179700000000 ] - [ -0.0002401700000000, -0.0006924800000000, -0.0000095800000000 ] - [ -0.0000619900000000, -0.0004038400000000, -0.0000101500000000 ] - [ -0.0002320200000000, -0.0005318000000000, -0.0002079300000000 ] - [ -0.0000645000000000, -0.0005312400000000, -0.0000826700000000 ] - [ 0.0002462600000000, 0.0018905700000000, -0.0007992700000000 ] - [ -0.0003454200000000, 0.0004574400000000, -0.0002432200000000 ] - [ -0.0002328800000000, 0.0004829600000000, -0.0001420600000000 ] - [ -0.0000805700000000, 0.0005119200000000, 0.0000543300000000 ] - [ 0.0019673900000000, 0.0008173500000000, 0.0007042800000000 ] - [ -0.0000958200000000, 0.0005924400000000, -0.0001589100000000 ] - [ 0.0002074900000000, 0.0004932700000000, 0.0001964000000000 ] - [ 0.0003159900000000, 0.0004755900000000, 0.0002372100000000 ] - [ 0.0002657300000000, -0.0004494900000000, 0.0002012700000000 ] - [ 0.0003140900000000, -0.0003811100000000, 0.0002193500000000 ] - [ 0.0001672000000000, -0.0001545500000000, 0.0003410800000000 ] - [ 0.0002980600000000, -0.0004506000000000, 0.0002232700000000 ] - [ 0.0004411200000000, -0.0002164000000000, -0.0002302300000000 ] - [ -0.0001549000000000, -0.0006717800000000, -0.0003698300000000 ] - [ 0.0002925700000000, -0.0001779400000000, 0.0000738000000000 ] - [ 0.0003559000000000, 0.0000292200000000, -0.0000385400000000 ] - [ 0.0004192200000000, -0.0000223500000000, -0.0000113200000000 ] - [ 0.0003005300000000, 0.0001508100000000, -0.0000056700000000 ] - [ -0.0000032300000000, 0.0004246100000000, 0.0002689800000000 ] - [ 0.0003706300000000, -0.0000035000000000, -0.0000657000000000 ] - [ 0.0007581400000000, 0.0002212700000000, -0.0025401700000000 ] - [ -0.0003800700000000, -0.0001963300000000, 0.0000273300000000 ] - [ -0.0003614500000000, -0.0001270500000000, 0.0000543800000000 ] - [ -0.0003215200000000, -0.0001912100000000, 0.0001338500000000 ] - [ -0.0002801700000000, 0.0004494300000000, -0.0003310800000000 ] - [ -0.0003823500000000, 0.0002379700000000, 0.0000157600000000 ] - [ -0.0004005900000000, 0.0001965900000000, 0.0001010000000000 ] - [ -0.0004086700000000, 0.0002046500000000, 0.0001196000000000 ] - [ 0.0000036100000000, 0.0010876400000000, 0.0002738000000000 ] - [ -0.0001108100000000, 0.0002434800000000, -0.0000881400000000 ] - [ -0.0000060900000000, 0.0002473100000000, 0.0000528900000000 ] - [ -0.0002882100000000, 0.0008841400000000, -0.0001193000000000 ] - [ -0.0012471600000000, -0.0025124700000000, 0.0001270300000000 ] - [ 0.0002802900000000, -0.0004261900000000, -0.0001010900000000 ] - [ -0.0000091500000000, -0.0000856400000000, -0.0000365600000000 ] - [ -0.0000821300000000, -0.0001628700000000, -0.0000972000000000 ] - [ -0.0015790800000000, -0.0000910600000000, -0.0003372100000000 ] - [ 0.0012607200000000, -0.0001530800000000, -0.0001001900000000 ] - [ 0.0000877200000000, 0.0000092500000000, -0.0000707700000000 ] - [ -0.0000418900000000, 0.0000437600000000, 0.0000178000000000 ] - [ 0.0000022400000000, -0.0001120900000000, 0.0000131600000000 ] - [ 0.0001035300000000, -0.0008861700000000, 0.0001102200000000 ] - [ 0.0000201400000000, -0.0005385500000000, -0.0000424200000000 ] - [ 0.0000272200000000, -0.0000761500000000, -0.0000236500000000 ] - [ -0.0008686000000000, 0.0299731200000000, 0.0037254900000000 ] - [ -0.0001038900000000, 0.0006306700000000, 0.0000335700000000 ] - [ -0.0001185100000000, 0.0004605400000000, 0.0000336700000000 ] - [ -0.0000609800000000, 0.0005636700000000, -0.0000246400000000 ] - [ 0.0002217900000000, -0.0005301400000000, -0.0003713500000000 ] - [ -0.0006969700000000, -0.0006603900000000, -0.0001378900000000 ] - [ -0.0001815100000000, -0.0005286100000000, 0.0002380000000000 ] - [ 0.0000065600000000, -0.0006588000000000, 0.0003864900000000 ] - [ -0.0000059400000000, -0.0002926700000000, 0.0000597100000000 ] - [ 0.0007047500000000, -0.0004722900000000, 0.0009148000000000 ] - [ 0.0009314600000000, 0.0001329300000000, -0.0011176700000000 ] - [ -0.0000706000000000, -0.0002301300000000, -0.0001457400000000 ] - [ -0.0000102700000000, -0.0008189600000000, 0.0001996300000000 ] - [ 0.0000405800000000, 0.0001248900000000, 0.0000101600000000 ] - [ 0.0000907900000000, 0.0003021700000000, -0.0000834100000000 ] - [ 0.0001249100000000, 0.0001993500000000, -0.0000814500000000 ] - [ 0.0003483500000000, 0.0007784000000000, -0.0004045000000000 ] - [ 0.0001404600000000, 0.0012902400000000, -0.0007055900000000 ] - [ -0.0017825100000000, 0.0039904200000000, 0.0030037600000000 ] - [ 0.0007677500000000, 0.0011992900000000, 0.0000102500000000 ] - [ 0.0024364900000000, -0.0034313200000000, -0.0016816100000000 ] - [ 0.0001171300000000, -0.0007251800000000, -0.0003419700000000 ] - [ 0.0002937400000000, -0.0006705700000000, -0.0003348700000000 ] - [ 0.0003464200000000, -0.0006899000000000, -0.0003279500000000 ] - [ 0.0014172700000000, -0.0158816100000000, -0.0119195400000000 ] - [ -0.0004145000000000, -0.0006070900000000, 0.0003452900000000 ] - [ -0.0003821800000000, -0.0006312500000000, 0.0004435000000000 ] - [ -0.0004478600000000, -0.0006060200000000, 0.0006107700000000 ] - [ -0.0004951500000000, 0.0001974900000000, 0.0005160200000000 ] - [ -0.0002621600000000, 0.0002103200000000, 0.0004828700000000 ] - [ -0.0003302700000000, 0.0004720700000000, 0.0003444300000000 ] - [ -0.0004396300000000, 0.0003772600000000, 0.0002506200000000 ] - [ 0.0001845900000000, 0.0008870700000000, -0.0006777900000000 ] - [ -0.0007733000000000, 0.0011010700000000, -0.0007025200000000 ] - [ 0.0000295600000000, 0.0006911400000000, -0.0004774800000000 ] - [ -0.0000961400000000, 0.0005377400000000, -0.0005557100000000 ] - [ 0.0007953600000000, -0.0030851700000000, 0.0013403200000000 ] - [ 0.0000427200000000, -0.0004875200000000, -0.0003778900000000 ] - [ -0.0000336600000000, -0.0004566900000000, -0.0005449600000000 ] - [ 0.0004683700000000, -0.0006354100000000, -0.0013151300000000 ] - [ -0.0044123900000000, -0.0080431300000000, 0.0053844600000000 ] - [ 0.0002404500000000, -0.0004529700000000, 0.0007267400000000 ] - [ 0.0000328500000000, -0.0004214600000000, 0.0004245100000000 ] - [ -0.0000663100000000, -0.0003809400000000, 0.0002616900000000 ] - [ -0.0000757600000000, 0.0002839600000000, 0.0004617800000000 ] - [ -0.0000088000000000, 0.0002304700000000, 0.0004199400000000 ] - [ 0.0002383800000000, -0.0002762400000000, 0.0005792800000000 ] - [ -0.0001688200000000, 0.0001683100000000, 0.0005142300000000 ]- atom: 97 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ 0.0008249900000000, -0.0000305700000000, -0.0001293500000000 ] - [ -0.0016865800000000, 0.0008178600000000, 0.0021288300000000 ] - [ -0.0014568700000000, 0.0017162600000000, -0.0026119500000000 ] - [ 0.0005226500000000, 0.0002113300000000, -0.0002545500000000 ] - [ -0.0036370800000000, 0.0011977800000000, 0.0012868100000000 ] - [ 0.0031969800000000, 0.0012370700000000, 0.0012609500000000 ] - [ -0.0000085500000000, -0.0000050300000000, -0.0008314200000000 ] - [ 0.0002240600000000, -0.0004814800000000, -0.0015286300000000 ] - [ -0.0010196300000000, -0.0004669300000000, 0.0021079400000000 ] - [ 0.0008020900000000, 0.0000277600000000, 0.0003964600000000 ] - [ 0.0003038200000000, -0.0000845600000000, -0.0001842900000000 ] - [ -0.0003442100000000, -0.0003209300000000, -0.0008581900000000 ] - [ 0.0004009000000000, 0.0009479300000000, -0.0009924700000000 ] - [ -0.0000204200000000, 0.0000600900000000, 0.0000881900000000 ] - [ 0.0009354300000000, -0.0004123600000000, 0.0000054500000000 ] - [ -0.0014044300000000, -0.0002612800000000, 0.0003695400000000 ] - [ -0.0001616000000000, 0.0000247100000000, 0.0001339500000000 ] - [ -0.0005622100000000, 0.0000937000000000, 0.0001665200000000 ] - [ -0.0008049700000000, -0.0033765400000000, -0.0005367600000000 ] - [ -0.0003890600000000, 0.0001127000000000, 0.0004421900000000 ] - [ -0.0007459500000000, -0.0004427500000000, 0.0010000300000000 ] - [ -0.0002723900000000, -0.0000682500000000, 0.0003386600000000 ] - [ -0.0003111500000000, 0.0000744600000000, 0.0001305300000000 ] - [ -0.0003724800000000, 0.0000714300000000, 0.0000623700000000 ] - [ -0.0018963300000000, -0.0036075900000000, 0.0000050800000000 ] - [ 0.0005417700000000, 0.0000191000000000, -0.0001570600000000 ] - [ 0.0004036000000000, -0.0001119900000000, -0.0003254400000000 ] - [ 0.0002349100000000, -0.0001325100000000, -0.0005741700000000 ] - [ 0.0004001300000000, -0.0000670100000000, -0.0002518000000000 ] - [ 0.0003363000000000, -0.0000944800000000, -0.0000783000000000 ] - [ 0.0003382300000000, 0.0002729300000000, -0.0004573900000000 ] - [ 0.0003245700000000, -0.0001128500000000, -0.0001812200000000 ] - [ 0.0040613000000000, 0.0007788400000000, -0.0068095300000000 ] - [ 0.0003026100000000, -0.0004258200000000, -0.0003008500000000 ] - [ 0.0002472600000000, -0.0003882800000000, -0.0005517100000000 ] - [ 0.0000783400000000, -0.0003812600000000, -0.0006849400000000 ] - [ 0.0003579200000000, 0.0004550600000000, -0.0006965900000000 ] - [ -0.0000646600000000, 0.0004528900000000, 0.0000036900000000 ] - [ 0.0002807200000000, 0.0004145200000000, -0.0006108700000000 ] - [ -0.0001174000000000, 0.0004734700000000, -0.0001773200000000 ] - [ 0.0001583500000000, 0.0004370500000000, 0.0000010300000000 ] - [ -0.0001792800000000, 0.0004786700000000, 0.0001500400000000 ] - [ 0.0004608500000000, 0.0001908100000000, -0.0006057600000000 ] - [ 0.0001079000000000, 0.0004167000000000, 0.0003110200000000 ] - [ -0.0001288600000000, -0.0002782600000000, 0.0005892700000000 ] - [ -0.0000510000000000, -0.0004483700000000, 0.0004219900000000 ] - [ 0.0001339500000000, -0.0004304700000000, -0.0000024700000000 ] - [ -0.0000161300000000, -0.0004207800000000, 0.0001143700000000 ] - [ 0.0006710000000000, -0.0006330200000000, -0.0004725900000000 ] - [ -0.0000780900000000, -0.0005961400000000, -0.0000302700000000 ] - [ 0.0002305600000000, -0.0005194100000000, -0.0004541900000000 ] - [ -0.0007813300000000, -0.0002876300000000, -0.0005714700000000 ] - [ -0.0004864100000000, 0.0012518000000000, 0.0001648000000000 ] - [ 0.0001372200000000, 0.0005312400000000, 0.0001162900000000 ] - [ -0.0001862100000000, 0.0004760200000000, -0.0002213500000000 ] - [ -0.0006153800000000, 0.0004277200000000, -0.0005821600000000 ] - [ 0.0012272400000000, 0.0010215800000000, 0.0010955300000000 ] - [ 0.0009095500000000, 0.0003422500000000, 0.0008274500000000 ] - [ 0.0002529600000000, 0.0004875800000000, 0.0000472300000000 ] - [ -0.0000182100000000, 0.0005161400000000, -0.0001032900000000 ] - [ 0.0003665100000000, -0.0004641600000000, 0.0002003700000000 ] - [ -0.0000044900000000, -0.0005115100000000, -0.0000293400000000 ] - [ 0.0001679800000000, -0.0006793700000000, 0.0000894300000000 ] - [ 0.0003965500000000, -0.0004745500000000, 0.0002875800000000 ] - [ 0.0008098500000000, 0.0003583600000000, -0.0000820700000000 ] - [ 0.0003689400000000, -0.0000881200000000, 0.0009920700000000 ] - [ 0.0004348400000000, 0.0000933000000000, -0.0005194100000000 ] - [ 0.0003774500000000, -0.0000019900000000, -0.0001491600000000 ] - [ 0.0003774400000000, -0.0001190400000000, -0.0001313100000000 ] - [ 0.0004118400000000, -0.0002017500000000, -0.0001597300000000 ] - [ 0.0001182300000000, 0.0000148600000000, 0.0001558700000000 ] - [ 0.0004657800000000, -0.0000439200000000, -0.0000259300000000 ] - [ -0.0000973500000000, 0.0033603900000000, -0.0017018600000000 ] - [ -0.0002452700000000, -0.0000201300000000, 0.0001092200000000 ] - [ -0.0002516200000000, -0.0001021100000000, -0.0001160200000000 ] - [ -0.0004744300000000, -0.0000457100000000, -0.0002050900000000 ] - [ -0.0003640100000000, 0.0001052800000000, 0.0001872900000000 ] - [ -0.0003735100000000, 0.0000093000000000, 0.0001237600000000 ] - [ -0.0003161700000000, 0.0000017900000000, -0.0001044200000000 ] - [ -0.0003577400000000, 0.0000907000000000, -0.0000661300000000 ] - [ -0.0016544800000000, 0.0001225200000000, 0.0040202200000000 ] - [ -0.0002237300000000, 0.0000661600000000, -0.0000823200000000 ] - [ -0.0007002700000000, 0.0000746600000000, 0.0002399200000000 ] - [ 0.0013521800000000, -0.0001394700000000, 0.0004791100000000 ] - [ 0.0001701100000000, -0.0009298300000000, -0.0009403200000000 ] - [ -0.0004841600000000, 0.0001919300000000, -0.0000848300000000 ] - [ -0.0001814800000000, -0.0000017300000000, 0.0002033000000000 ] - [ 0.0000507400000000, -0.0000943100000000, 0.0005268100000000 ] - [ -0.0010015700000000, -0.0009159400000000, -0.0009246600000000 ] - [ -0.0012794400000000, 0.0010005800000000, -0.0004692300000000 ] - [ -0.0000305800000000, -0.0000281800000000, 0.0003645200000000 ] - [ -0.0000632400000000, -0.0001659500000000, 0.0004782100000000 ] - [ -0.0001564400000000, 0.0000782600000000, 0.0000046600000000 ] - [ 0.0002939700000000, 0.0003147000000000, -0.0000391000000000 ] - [ 0.0002525900000000, 0.0000546900000000, 0.0001336800000000 ] - [ -0.0002342500000000, 0.0000751700000000, 0.0000655500000000 ] - [ 0.0203576100000000, -0.0027432700000000, -0.0259758800000000 ] - [ -0.0006969000000000, 0.0004007900000000, -0.0001721600000000 ] - [ -0.0002689000000000, 0.0003908000000000, 0.0003292300000000 ] - [ 0.0001518000000000, 0.0004724200000000, 0.0007694300000000 ] - [ -0.0004147600000000, -0.0001992900000000, 0.0003780600000000 ] - [ 0.0004850500000000, -0.0002195900000000, 0.0000884100000000 ] - [ -0.0004110100000000, -0.0009201400000000, 0.0003818200000000 ] - [ -0.0000756200000000, -0.0001192000000000, -0.0004427600000000 ] - [ -0.0003034000000000, -0.0005438200000000, 0.0000834700000000 ] - [ 0.0007625600000000, -0.0006803200000000, -0.0000445400000000 ] - [ -0.0001273100000000, 0.0009676800000000, 0.0013989300000000 ] - [ 0.0000915200000000, -0.0004392100000000, -0.0000830000000000 ] - [ 0.0004406700000000, 0.0006500100000000, -0.0007785700000000 ] - [ -0.0001572900000000, 0.0004755700000000, -0.0002872900000000 ] - [ -0.0000216400000000, 0.0003733700000000, 0.0001839700000000 ] - [ 0.0002434900000000, 0.0003520100000000, 0.0003106600000000 ] - [ -0.0000380800000000, 0.0006882400000000, -0.0000598800000000 ] - [ 0.0007663000000000, 0.0004902400000000, 0.0002224500000000 ] - [ -0.0147686700000000, -0.0020622100000000, 0.0221179100000000 ] - [ -0.0002370300000000, 0.0004163600000000, -0.0008642200000000 ] - [ -0.0003725200000000, 0.0018047300000000, -0.0003700900000000 ] - [ 0.0001251700000000, -0.0007937600000000, -0.0009339300000000 ] - [ 0.0001046500000000, -0.0007042400000000, -0.0000243800000000 ] - [ 0.0008295800000000, -0.0007396700000000, 0.0000195100000000 ] - [ 0.0009284100000000, 0.0081947700000000, 0.0041970600000000 ] - [ -0.0008183400000000, -0.0006506600000000, 0.0001792000000000 ] - [ -0.0005576900000000, -0.0006169100000000, 0.0006475400000000 ] - [ -0.0000157100000000, -0.0007351000000000, 0.0008776700000000 ] - [ -0.0004675600000000, 0.0005367000000000, 0.0001734700000000 ] - [ -0.0003519600000000, 0.0007161300000000, 0.0000659600000000 ] - [ -0.0004868100000000, 0.0006013900000000, 0.0008093500000000 ] - [ -0.0003018900000000, 0.0008006800000000, 0.0005246600000000 ] - [ -0.0013428400000000, 0.0005390100000000, -0.0002853000000000 ] - [ -0.0005417300000000, 0.0002053000000000, -0.0022552900000000 ] - [ -0.0004258200000000, 0.0003599000000000, 0.0005065400000000 ] - [ 0.0003096400000000, 0.0003462300000000, 0.0000217800000000 ] - [ 0.0012985600000000, -0.0016353400000000, -0.0006324700000000 ] - [ -0.0005629700000000, -0.0005959300000000, -0.0005934900000000 ] - [ -0.0000893300000000, -0.0004322200000000, -0.0003226600000000 ] - [ 0.0000661500000000, -0.0002417700000000, 0.0002419200000000 ] - [ -0.0018926400000000, -0.0076547300000000, 0.0022554900000000 ] - [ -0.0006399900000000, -0.0003607500000000, -0.0000301200000000 ] - [ -0.0002058700000000, -0.0003984600000000, 0.0007580200000000 ] - [ 0.0003158000000000, -0.0004186400000000, 0.0008720600000000 ] - [ -0.0002487000000000, 0.0004415600000000, 0.0006638400000000 ] - [ 0.0001274800000000, 0.0004426000000000, 0.0007999200000000 ] - [ -0.0000175200000000, 0.0006350800000000, 0.0002809700000000 ] - [ -0.0000560400000000, 0.0004678900000000, 0.0002282100000000 ]- atom: 97 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ -0.0008658100000000, 0.0002134700000000, -0.0001802900000000 ] - [ 0.0016286800000000, -0.0006816500000000, -0.0024893700000000 ] - [ 0.0013975700000000, -0.0015196300000000, 0.0022925500000000 ] - [ -0.0005588000000000, -0.0000288000000000, -0.0000531400000000 ] - [ 0.0036411600000000, -0.0014034800000000, -0.0015646000000000 ] - [ -0.0032283500000000, -0.0014125200000000, -0.0015468700000000 ] - [ -0.0000303100000000, -0.0001768300000000, 0.0005177500000000 ] - [ -0.0002656600000000, 0.0003026800000000, 0.0012233500000000 ] - [ 0.0010564500000000, 0.0002954900000000, -0.0018023300000000 ] - [ -0.0007609300000000, -0.0002093700000000, -0.0000892100000000 ] - [ -0.0002635500000000, -0.0000976400000000, 0.0004934300000000 ] - [ 0.0003826200000000, 0.0001376900000000, 0.0011643000000000 ] - [ -0.0003612500000000, -0.0007702300000000, 0.0013006400000000 ] - [ 0.0000577300000000, 0.0001225400000000, 0.0002176800000000 ] - [ -0.0008933100000000, 0.0005919000000000, 0.0003064000000000 ] - [ 0.0014472300000000, 0.0004472200000000, -0.0000548200000000 ] - [ -0.0005408500000000, 0.0000256900000000, 0.0003487000000000 ] - [ -0.0001390600000000, -0.0000438300000000, 0.0003142600000000 ] - [ 0.0000881900000000, 0.0033942300000000, 0.0010302000000000 ] - [ -0.0003125500000000, -0.0000591000000000, 0.0000425700000000 ] - [ 0.0000468400000000, 0.0003871300000000, -0.0005195900000000 ] - [ -0.0004292900000000, 0.0000166600000000, 0.0001447700000000 ] - [ -0.0003904800000000, -0.0001265500000000, 0.0003527700000000 ] - [ -0.0003293000000000, -0.0001236000000000, 0.0004211000000000 ] - [ 0.0025883800000000, 0.0035997400000000, -0.0004402200000000 ] - [ 0.0001604000000000, -0.0000696000000000, -0.0003252400000000 ] - [ 0.0002982800000000, 0.0000589500000000, -0.0001588100000000 ] - [ 0.0004677000000000, 0.0000785600000000, 0.0000904200000000 ] - [ 0.0003018300000000, 0.0001200200000000, -0.0002324100000000 ] - [ 0.0003653000000000, 0.0001473200000000, -0.0004062400000000 ] - [ 0.0003631700000000, -0.0002200500000000, -0.0000268200000000 ] - [ 0.0003771300000000, 0.0001634000000000, -0.0003011800000000 ] - [ -0.0040657000000000, -0.0016385000000000, 0.0064663100000000 ] - [ -0.0002218800000000, -0.0004096300000000, -0.0002190800000000 ] - [ -0.0001693300000000, -0.0004477000000000, 0.0000330900000000 ] - [ 0.0000017700000000, -0.0004543200000000, 0.0001647500000000 ] - [ -0.0002777100000000, 0.0003814800000000, 0.0001748200000000 ] - [ 0.0001421800000000, 0.0003823700000000, -0.0005230200000000 ] - [ -0.0002003900000000, 0.0004213000000000, 0.0000898000000000 ] - [ 0.0001954300000000, 0.0003621100000000, -0.0003404800000000 ] - [ -0.0002374100000000, 0.0003985700000000, 0.0005183600000000 ] - [ 0.0001034000000000, 0.0003569500000000, 0.0003659600000000 ] - [ -0.0005486500000000, 0.0006340700000000, 0.0011335900000000 ] - [ -0.0001847000000000, 0.0004194400000000, 0.0002073000000000 ] - [ 0.0000503900000000, -0.0005578100000000, -0.0000712400000000 ] - [ -0.0000286400000000, -0.0003875100000000, 0.0000978900000000 ] - [ -0.0002109100000000, -0.0004056200000000, 0.0005197900000000 ] - [ -0.0000618800000000, -0.0004152400000000, 0.0004043400000000 ] - [ -0.0011618200000000, -0.0003269900000000, 0.0001219600000000 ] - [ -0.0004103200000000, -0.0003643300000000, -0.0003264100000000 ] - [ -0.0007107200000000, -0.0004425900000000, 0.0000999800000000 ] - [ 0.0002980100000000, -0.0006741300000000, 0.0002221400000000 ] - [ -0.0000039200000000, -0.0002987300000000, -0.0005099800000000 ] - [ -0.0006216300000000, 0.0004301800000000, -0.0004662800000000 ] - [ -0.0003000200000000, 0.0004850900000000, -0.0001303400000000 ] - [ 0.0001282400000000, 0.0005331400000000, 0.0002298900000000 ] - [ -0.0007394000000000, -0.0000582300000000, -0.0007516600000000 ] - [ -0.0004229300000000, 0.0006191000000000, -0.0004753800000000 ] - [ 0.0002333300000000, 0.0004734800000000, 0.0003038000000000 ] - [ 0.0005050200000000, 0.0004447900000000, 0.0004553400000000 ] - [ 0.0001192400000000, -0.0004971100000000, 0.0001505100000000 ] - [ 0.0004901400000000, -0.0004492500000000, 0.0003796400000000 ] - [ 0.0003179900000000, -0.0002816200000000, 0.0002633200000000 ] - [ 0.0000908500000000, -0.0004863600000000, 0.0000648500000000 ] - [ -0.0000820700000000, -0.0002065700000000, -0.0000131700000000 ] - [ 0.0003478200000000, 0.0002456300000000, -0.0010883600000000 ] - [ 0.0002941800000000, 0.0000579500000000, 0.0004221300000000 ] - [ 0.0003513100000000, 0.0001556700000000, 0.0000553100000000 ] - [ 0.0003513100000000, -0.0000344400000000, 0.0000366100000000 ] - [ 0.0003168800000000, 0.0000482900000000, 0.0000649600000000 ] - [ 0.0006130700000000, -0.0001704700000000, -0.0002509400000000 ] - [ 0.0002633000000000, -0.0001089100000000, -0.0000678600000000 ] - [ -0.0006168800000000, -0.0035295400000000, 0.0017734800000000 ] - [ -0.0004836100000000, -0.0001332500000000, -0.0000148300000000 ] - [ -0.0004763800000000, -0.0000520400000000, 0.0002096500000000 ] - [ -0.0002557300000000, -0.0001073300000000, 0.0003006000000000 ] - [ -0.0003657700000000, 0.0000485800000000, -0.0000902800000000 ] - [ -0.0003549700000000, 0.0001443800000000, -0.0000290700000000 ] - [ -0.0004123800000000, 0.0001516000000000, 0.0001986000000000 ] - [ -0.0003705700000000, 0.0000626600000000, 0.0001598300000000 ] - [ 0.0016432600000000, -0.0000210200000000, -0.0040876600000000 ] - [ 0.0001895400000000, 0.0000348400000000, 0.0000875700000000 ] - [ 0.0006585400000000, 0.0000275700000000, -0.0002369200000000 ] - [ -0.0013865500000000, 0.0002421400000000, -0.0004839200000000 ] - [ -0.0002003000000000, 0.0008340100000000, 0.0009409400000000 ] - [ 0.0004442500000000, -0.0002907300000000, 0.0000892200000000 ] - [ 0.0001453500000000, -0.0001003100000000, -0.0002004900000000 ] - [ -0.0000873500000000, -0.0000079600000000, -0.0005215900000000 ] - [ 0.0010364000000000, 0.0008143100000000, 0.0009267000000000 ] - [ 0.0013103900000000, -0.0010948400000000, 0.0004626900000000 ] - [ 0.0000668800000000, -0.0000724900000000, -0.0003651800000000 ] - [ 0.0001005600000000, 0.0000657200000000, -0.0004823100000000 ] - [ 0.0001928700000000, 0.0000231200000000, -0.0000068900000000 ] - [ -0.0002583100000000, -0.0002122300000000, 0.0000378400000000 ] - [ -0.0002146800000000, 0.0000459400000000, -0.0001391200000000 ] - [ 0.0002695700000000, 0.0000260900000000, -0.0000687900000000 ] - [ -0.0201876400000000, 0.0035678100000000, 0.0254376500000000 ] - [ 0.0004971400000000, 0.0003781000000000, 0.0002793500000000 ] - [ 0.0000706800000000, 0.0003885500000000, -0.0002209300000000 ] - [ -0.0003497500000000, 0.0003074500000000, -0.0006608000000000 ] - [ 0.0002164700000000, -0.0005808300000000, -0.0002683900000000 ] - [ -0.0006840700000000, -0.0005599000000000, 0.0000206700000000 ] - [ 0.0002107800000000, 0.0001356700000000, -0.0002733900000000 ] - [ -0.0001230800000000, -0.0006597800000000, 0.0005490400000000 ] - [ 0.0005024300000000, -0.0002342000000000, -0.0001902500000000 ] - [ -0.0005618800000000, -0.0001020400000000, -0.0000556300000000 ] - [ 0.0003292200000000, -0.0017312700000000, -0.0015025700000000 ] - [ 0.0001052600000000, -0.0003401900000000, -0.0000252900000000 ] - [ -0.0002433800000000, 0.0001292000000000, 0.0006717500000000 ] - [ 0.0003557900000000, 0.0003036400000000, 0.0001781700000000 ] - [ 0.0002193200000000, 0.0004055100000000, -0.0002902400000000 ] - [ -0.0000450700000000, 0.0004272400000000, -0.0004177500000000 ] - [ 0.0007414900000000, 0.0006271100000000, -0.0007122900000000 ] - [ -0.0000660200000000, 0.0008240400000000, -0.0009910100000000 ] - [ 0.0151121900000000, 0.0032750600000000, -0.0223648500000000 ] - [ 0.0009323300000000, 0.0008908900000000, 0.0000900000000000 ] - [ 0.0010746200000000, -0.0031393700000000, -0.0003944100000000 ] - [ 0.0005765000000000, -0.0005209400000000, 0.0001601300000000 ] - [ 0.0005929900000000, -0.0006054200000000, -0.0007452200000000 ] - [ -0.0001275900000000, -0.0005707300000000, -0.0007908300000000 ] - [ -0.0015936800000000, -0.0094719600000000, -0.0034471700000000 ] - [ 0.0001150100000000, -0.0006647200000000, 0.0005924800000000 ] - [ -0.0001409500000000, -0.0006923100000000, 0.0001245700000000 ] - [ -0.0006860100000000, -0.0005737900000000, -0.0001037600000000 ] - [ -0.0002315600000000, 0.0007734600000000, 0.0005994700000000 ] - [ -0.0003460800000000, 0.0005948000000000, 0.0007065500000000 ] - [ -0.0002157500000000, 0.0007129200000000, -0.0000351700000000 ] - [ -0.0004002600000000, 0.0005150600000000, 0.0002468500000000 ] - [ 0.0013881800000000, 0.0003398000000000, -0.0006692400000000 ] - [ 0.0005922500000000, 0.0006765500000000, 0.0013003800000000 ] - [ 0.0004584600000000, 0.0005216100000000, -0.0014530900000000 ] - [ -0.0002740700000000, 0.0005351100000000, -0.0009800600000000 ] - [ -0.0012603400000000, 0.0007613100000000, -0.0003332000000000 ] - [ 0.0005975800000000, -0.0002861900000000, -0.0003633600000000 ] - [ 0.0001262100000000, -0.0004486900000000, -0.0006324000000000 ] - [ -0.0000302300000000, -0.0006384300000000, -0.0011934800000000 ] - [ 0.0018587800000000, 0.0068664800000000, -0.0012980900000000 ] - [ 0.0006026300000000, -0.0005198700000000, 0.0009855200000000 ] - [ 0.0001680500000000, -0.0004814800000000, 0.0001985000000000 ] - [ -0.0003519000000000, -0.0004620900000000, 0.0000821300000000 ] - [ 0.0002121000000000, 0.0004391700000000, 0.0002922900000000 ] - [ -0.0001642500000000, 0.0004377300000000, 0.0001577900000000 ] - [ -0.0000178300000000, 0.0002450600000000, 0.0006711100000000 ] - [ 0.0000178100000000, 0.0004122600000000, 0.0007264200000000 ]- atom: 113 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ 0.0054175000000000, -0.0010480600000000, 0.0005853800000000 ] - [ -0.0014419900000000, -0.0002506300000000, 0.0003814300000000 ] - [ -0.0008255000000000, 0.0000659400000000, -0.0005658400000000 ] - [ 0.0012117500000000, 0.0012122000000000, 0.0009050400000000 ] - [ 0.0002399100000000, -0.0003084800000000, 0.0003154600000000 ] - [ -0.0004079600000000, 0.0000670000000000, -0.0002509200000000 ] - [ -0.0025738800000000, 0.0008383700000000, 0.0001156000000000 ] - [ 0.0071701700000000, -0.0003168900000000, 0.0017849200000000 ] - [ -0.0004767700000000, -0.0000974400000000, 0.0002679300000000 ] - [ 0.0005950300000000, 0.0001793000000000, 0.0004994100000000 ] - [ 0.0014357300000000, -0.0002557600000000, -0.0000199100000000 ] - [ -0.0008419400000000, -0.0000840000000000, 0.0000950300000000 ] - [ -0.0002647600000000, 0.0011289400000000, 0.0006439100000000 ] - [ -0.0004195900000000, -0.0007869400000000, -0.0000800800000000 ] - [ -0.0002209100000000, -0.0001807000000000, 0.0004246000000000 ] - [ 0.0001859200000000, 0.0001685400000000, -0.0000204300000000 ] - [ 0.0287008300000000, -0.0421347800000000, -0.0347972400000000 ] - [ -0.0007041700000000, 0.0000632700000000, 0.0002625600000000 ] - [ -0.0004443100000000, 0.0000361700000000, 0.0002490900000000 ] - [ -0.0002386600000000, -0.0000210100000000, 0.0002448400000000 ] - [ -0.0003696100000000, -0.0001426600000000, 0.0003651300000000 ] - [ -0.0003585600000000, 0.0001424800000000, 0.0001072600000000 ] - [ -0.0003004200000000, 0.0000943600000000, 0.0002223400000000 ] - [ -0.0004534400000000, -0.0003269100000000, 0.0003102000000000 ] - [ 0.0003046700000000, 0.0000607300000000, -0.0001828100000000 ] - [ 0.0004180900000000, -0.0001996300000000, -0.0002904400000000 ] - [ 0.0005550200000000, -0.0018596900000000, -0.0007999400000000 ] - [ 0.0001251300000000, 0.0001896300000000, -0.0002218100000000 ] - [ 0.0004597300000000, -0.0005269200000000, 0.0002492600000000 ] - [ 0.0002950700000000, 0.0001435800000000, -0.0003229700000000 ] - [ 0.0003012500000000, 0.0000300100000000, -0.0002362300000000 ] - [ 0.0004313300000000, 0.0000653100000000, -0.0002979000000000 ] - [ -0.0001517100000000, -0.0004402900000000, -0.0000689300000000 ] - [ 0.0002550100000000, -0.0004052500000000, -0.0004012500000000 ] - [ 0.1575510700000000, 0.0559667600000000, -0.1633207800000000 ] - [ -0.0004474500000000, -0.0004365400000000, 0.0000640900000000 ] - [ -0.0001694900000000, 0.0003766400000000, 0.0001455300000000 ] - [ -0.0000965700000000, 0.0005304700000000, -0.0001998500000000 ] - [ -0.0001774700000000, 0.0004301200000000, -0.0000215900000000 ] - [ 0.0005576200000000, 0.0004493800000000, -0.0007474900000000 ] - [ 0.0010488300000000, 0.0001064000000000, -0.0004769000000000 ] - [ -0.0004070400000000, 0.0004471900000000, 0.0005050100000000 ] - [ -0.0001623100000000, 0.0004098700000000, 0.0003511100000000 ] - [ 0.0000955600000000, 0.0004151500000000, 0.0001958000000000 ] - [ -0.0001233000000000, -0.0003673200000000, 0.0004370500000000 ] - [ -0.0000611800000000, -0.0004223600000000, 0.0002540600000000 ] - [ -0.0001726600000000, -0.0004568000000000, 0.0003787900000000 ] - [ 0.0000948900000000, -0.0003618600000000, 0.0000514700000000 ] - [ -0.0005969500000000, -0.0004171800000000, 0.0010546600000000 ] - [ -0.0014210500000000, -0.0000193200000000, -0.0012172400000000 ] - [ -0.0005623200000000, -0.0004233400000000, -0.0001517100000000 ] - [ -0.0003347100000000, -0.0004653700000000, -0.0003467000000000 ] - [ -0.0003821900000000, 0.0004491800000000, -0.0002294900000000 ] - [ -0.0001397400000000, 0.0005084900000000, -0.0001551800000000 ] - [ 0.0004421700000000, 0.0012028100000000, 0.0006191900000000 ] - [ -0.0008517100000000, 0.0003823300000000, -0.0005398700000000 ] - [ 0.0003544300000000, 0.0004722000000000, 0.0003413400000000 ] - [ 0.0001450700000000, 0.0004642100000000, 0.0000797500000000 ] - [ -0.0001305600000000, 0.0003409700000000, 0.0000591400000000 ] - [ -0.0005681000000000, 0.0005914200000000, -0.0004622400000000 ] - [ 0.0006888000000000, -0.0004336000000000, 0.0003341900000000 ] - [ -0.0000285400000000, -0.0005040900000000, 0.0000374400000000 ] - [ 0.0000793300000000, -0.0004994800000000, 0.0000841000000000 ] - [ 0.0003924200000000, -0.0004734000000000, 0.0002538200000000 ] - [ 0.0005736300000000, 0.0003753600000000, 0.0003229800000000 ] - [ 0.0001445300000000, -0.0001021200000000, -0.0000739900000000 ] - [ 0.0000743600000000, 0.0000438000000000, -0.0000152000000000 ] - [ 0.0010975100000000, -0.0000026200000000, -0.0003114600000000 ] - [ 0.0002656400000000, 0.0002838100000000, -0.0003901700000000 ] - [ 0.0003295900000000, -0.0003080900000000, 0.0000489300000000 ] - [ 0.0003592200000000, -0.0000602300000000, -0.0000372400000000 ] - [ 0.0003427200000000, -0.0000335900000000, -0.0000592700000000 ] - [ -0.0005878800000000, 0.0001692100000000, 0.0004429200000000 ] - [ -0.0000779800000000, -0.0004185700000000, -0.0002902400000000 ] - [ -0.0007308700000000, -0.0012701300000000, 0.0008991600000000 ] - [ -0.0004033000000000, -0.0000674600000000, -0.0000991700000000 ] - [ -0.0004204500000000, 0.0001081600000000, 0.0000906100000000 ] - [ -0.0002810600000000, 0.0001028200000000, -0.0000618800000000 ] - [ -0.0001590000000000, -0.0000564000000000, -0.0001921800000000 ] - [ -0.0004852700000000, 0.0001305500000000, 0.0001274600000000 ] - [ 0.0021596300000000, -0.0002987600000000, -0.0013511700000000 ] - [ 0.0034742800000000, 0.0006160600000000, 0.0014617000000000 ] - [ 0.0003647700000000, 0.0000354600000000, -0.0006984300000000 ] - [ -0.0000044100000000, 0.0000373300000000, 0.0001463200000000 ] - [ 0.0002502300000000, -0.0000675900000000, -0.0000885600000000 ] - [ -0.0007006700000000, -0.0003904500000000, 0.0006252300000000 ] - [ -0.0012263100000000, -0.0000417900000000, 0.0000901600000000 ] - [ 0.0005824600000000, -0.0001112400000000, 0.0000353100000000 ] - [ -0.0001151000000000, -0.0001387900000000, -0.0001852200000000 ] - [ 0.0002020200000000, 0.0000541500000000, -0.0000076400000000 ] - [ 0.0006371700000000, 0.0002487600000000, -0.0000680500000000 ] - [ 0.0005108200000000, -0.0023385200000000, 0.0017246600000000 ] - [ -0.0003193500000000, -0.0004081800000000, 0.0000322300000000 ] - [ 0.0003687300000000, 0.0001158100000000, -0.0001220500000000 ] - [ 0.0001880400000000, 0.0001036400000000, 0.0000783000000000 ] - [ -0.0001301400000000, -0.0000330800000000, -0.0000024000000000 ] - [ 0.0001552000000000, 0.0003924600000000, -0.0002416800000000 ] - [ -0.0003236600000000, 0.0005989400000000, 0.0004138100000000 ] - [ 0.0063579600000000, 0.0025660300000000, -0.0143886200000000 ] - [ 0.0010508600000000, -0.0000271500000000, 0.0003377300000000 ] - [ -0.0003898400000000, 0.0016714400000000, -0.0012111200000000 ] - [ 0.0003625800000000, -0.0006238100000000, 0.0001821600000000 ] - [ 0.0001607900000000, -0.0004454000000000, -0.0000365300000000 ] - [ -0.0005251500000000, -0.0003927900000000, 0.0003061000000000 ] - [ -0.0029003500000000, -0.0022601000000000, -0.0012032900000000 ] - [ 0.0007004100000000, -0.0003250500000000, -0.0001276200000000 ] - [ 0.0003908000000000, -0.0003573300000000, -0.0000652800000000 ] - [ -0.0003475400000000, -0.0002917000000000, -0.0000168200000000 ] - [ 0.0001525900000000, 0.0004102500000000, -0.0001920300000000 ] - [ 0.0000551000000000, 0.0003005000000000, -0.0000273600000000 ] - [ 0.0000967900000000, 0.0002412300000000, -0.0002191400000000 ] - [ 0.0002347500000000, 0.0004775800000000, 0.0000717400000000 ] - [ -0.2082210000000000, -0.0125363600000000, 0.2067489300000000 ] - [ 0.0013500000000000, 0.0006651900000000, -0.0004725800000000 ] - [ 0.0006842400000000, 0.0006391900000000, -0.0004591900000000 ] - [ -0.0000540700000000, 0.0007055200000000, -0.0003873400000000 ] - [ 0.0005374300000000, -0.0005327700000000, -0.0007938600000000 ] - [ 0.0007284400000000, -0.0008785300000000, -0.0001886000000000 ] - [ 0.0005354900000000, -0.0010588900000000, -0.0006816300000000 ] - [ 0.0007329000000000, 0.0004117500000000, 0.0013700400000000 ] - [ -0.0001844200000000, -0.0007199900000000, 0.0002928500000000 ] - [ -0.0005675700000000, -0.0004960000000000, 0.0004102600000000 ] - [ -0.0013150500000000, 0.0007138500000000, 0.0011660500000000 ] - [ 0.0002346100000000, -0.0009142200000000, 0.0003012600000000 ] - [ -0.0004620800000000, 0.0009993400000000, -0.0001675400000000 ] - [ -0.0001854800000000, 0.0006158300000000, 0.0005225300000000 ] - [ -0.0001087900000000, 0.0007005500000000, 0.0003337300000000 ] - [ -0.0006211000000000, 0.0005636100000000, 0.0005795500000000 ] - [ -0.0002505700000000, 0.0006296500000000, -0.0026577200000000 ] - [ 0.0011990800000000, 0.0002287200000000, 0.0002483500000000 ] - [ 0.0006959400000000, 0.0004143600000000, -0.0006425600000000 ] - [ -0.0010327200000000, 0.0003778300000000, 0.0004541400000000 ] - [ 0.0001365700000000, -0.0004145800000000, -0.0004482500000000 ] - [ -0.0000036900000000, -0.0005284400000000, -0.0005668100000000 ] - [ 0.0006219500000000, -0.0022428300000000, -0.0005719600000000 ] - [ 0.0012205700000000, 0.0001853800000000, -0.0008654000000000 ] - [ 0.0001498600000000, -0.0006770600000000, 0.0000531300000000 ] - [ -0.0002767200000000, -0.0001399900000000, 0.0007543300000000 ] - [ 0.0003459600000000, 0.0005576700000000, 0.0001059000000000 ] - [ 0.0006090700000000, -0.0005877000000000, 0.0010646200000000 ] - [ -0.0006178900000000, 0.0004553800000000, 0.0005738300000000 ] - [ 0.0003832300000000, 0.0004537100000000, 0.0004791800000000 ] - [ 0.0002051300000000, 0.0004477500000000, 0.0004772400000000 ] - [ -0.0002089400000000, 0.0003869400000000, 0.0004636600000000 ]- atom: 113 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ -0.0054520900000000, 0.0012125800000000, -0.0009053300000000 ] - [ 0.0014038100000000, 0.0004367800000000, -0.0006938700000000 ] - [ 0.0007904200000000, 0.0001146800000000, 0.0002608300000000 ] - [ -0.0012613300000000, -0.0010445400000000, -0.0012189600000000 ] - [ -0.0002820200000000, 0.0001253000000000, -0.0006245400000000 ] - [ 0.0003724600000000, -0.0002491900000000, -0.0000627300000000 ] - [ 0.0025379300000000, -0.0010264100000000, -0.0004013100000000 ] - [ -0.0075504800000000, -0.0000078100000000, -0.0023461200000000 ] - [ 0.0005163500000000, -0.0000850200000000, 0.0000384200000000 ] - [ -0.0005507800000000, -0.0003514800000000, -0.0001780500000000 ] - [ -0.0014005300000000, 0.0000823100000000, 0.0003295900000000 ] - [ 0.0008837000000000, -0.0000971200000000, 0.0002153800000000 ] - [ 0.0002895100000000, -0.0009489900000000, -0.0003433300000000 ] - [ 0.0004638000000000, 0.0009621300000000, 0.0003896600000000 ] - [ 0.0002637000000000, 0.0003655200000000, -0.0001182300000000 ] - [ -0.0001489700000000, 0.0000143800000000, 0.0003308800000000 ] - [ -0.0284350100000000, 0.0396029700000000, 0.0340515200000000 ] - [ 0.0000012700000000, -0.0000129200000000, 0.0002212500000000 ] - [ -0.0002567700000000, 0.0000156000000000, 0.0002340000000000 ] - [ -0.0004638200000000, 0.0000731700000000, 0.0002387100000000 ] - [ -0.0003321600000000, 0.0000925000000000, 0.0001171600000000 ] - [ -0.0003429300000000, -0.0001945100000000, 0.0003762300000000 ] - [ -0.0004028400000000, -0.0001476300000000, 0.0002640300000000 ] - [ -0.0002471200000000, 0.0002780600000000, 0.0001725000000000 ] - [ 0.0003967200000000, -0.0001135000000000, -0.0003010700000000 ] - [ 0.0002836300000000, 0.0001489000000000, -0.0001927900000000 ] - [ 0.0001442300000000, 0.0018180500000000, 0.0003397000000000 ] - [ 0.0005771700000000, -0.0002434900000000, -0.0002616500000000 ] - [ 0.0002421200000000, 0.0005842200000000, -0.0007372900000000 ] - [ 0.0004070000000000, -0.0000903700000000, -0.0001615700000000 ] - [ 0.0004006100000000, 0.0000203300000000, -0.0002464200000000 ] - [ 0.0002703000000000, -0.0000144000000000, -0.0001837600000000 ] - [ 0.0002309600000000, -0.0003953200000000, -0.0004514300000000 ] - [ -0.0001761900000000, -0.0004305200000000, -0.0001190500000000 ] - [ -0.1539268800000000, -0.0546851500000000, 0.1526750000000000 ] - [ 0.0005265300000000, -0.0003996800000000, -0.0005818000000000 ] - [ 0.0002479200000000, 0.0004595800000000, -0.0006659800000000 ] - [ 0.0001765900000000, 0.0003062600000000, -0.0003226400000000 ] - [ 0.0002570700000000, 0.0004055200000000, -0.0004984600000000 ] - [ -0.0004823200000000, 0.0003856700000000, 0.0002321600000000 ] - [ -0.0011140500000000, 0.0007211900000000, 0.0009790200000000 ] - [ 0.0003282500000000, 0.0003878500000000, 0.0000155100000000 ] - [ 0.0000843000000000, 0.0004258600000000, 0.0001672700000000 ] - [ -0.0001732900000000, 0.0004212000000000, 0.0003221000000000 ] - [ 0.0000430600000000, -0.0004691200000000, 0.0000839000000000 ] - [ -0.0000162800000000, -0.0004135700000000, 0.0002637900000000 ] - [ 0.0000946800000000, -0.0003790100000000, 0.0001406600000000 ] - [ -0.0001728500000000, -0.0004738000000000, 0.0004676200000000 ] - [ 0.0001122700000000, -0.0005450200000000, -0.0014169400000000 ] - [ 0.0009237700000000, -0.0009353400000000, 0.0008536800000000 ] - [ 0.0000802000000000, -0.0005386400000000, -0.0001993900000000 ] - [ -0.0001521800000000, -0.0004959900000000, -0.0000041800000000 ] - [ -0.0001038600000000, 0.0005120100000000, -0.0001219300000000 ] - [ -0.0003470300000000, 0.0004524100000000, -0.0001962800000000 ] - [ -0.0009355100000000, -0.0002270600000000, -0.0009579000000000 ] - [ 0.0003683300000000, 0.0005793400000000, 0.0001897500000000 ] - [ 0.0001289000000000, 0.0004890200000000, 0.0000092600000000 ] - [ 0.0003419400000000, 0.0004963300000000, 0.0002715100000000 ] - [ 0.0006219400000000, 0.0006216800000000, 0.0002952000000000 ] - [ 0.0010547300000000, 0.0003701200000000, 0.0008137400000000 ] - [ -0.0002027200000000, -0.0005240000000000, 0.0000147900000000 ] - [ 0.0005145400000000, -0.0004573100000000, 0.0003137300000000 ] - [ 0.0004075100000000, -0.0004615600000000, 0.0002677100000000 ] - [ 0.0000941200000000, -0.0004873400000000, 0.0000981900000000 ] - [ 0.0001493100000000, -0.0002301800000000, -0.0004125000000000 ] - [ 0.0005831500000000, 0.0002537100000000, -0.0000220700000000 ] - [ 0.0006556500000000, 0.0001100400000000, -0.0000789400000000 ] - [ -0.0003737500000000, 0.0001563900000000, 0.0002157700000000 ] - [ 0.0004645700000000, -0.0004339700000000, 0.0002899900000000 ] - [ 0.0003992100000000, 0.0001562200000000, -0.0001442400000000 ] - [ 0.0003691500000000, -0.0000928600000000, -0.0000568300000000 ] - [ 0.0003860000000000, -0.0001200100000000, -0.0000349400000000 ] - [ -0.0001410000000000, -0.0003250600000000, -0.0003510400000000 ] - [ -0.0006450900000000, 0.0002613300000000, 0.0003816900000000 ] - [ 0.0000044600000000, 0.0011258400000000, -0.0008131700000000 ] - [ -0.0003256600000000, -0.0000870300000000, 0.0001943200000000 ] - [ -0.0003077000000000, 0.0000452500000000, 0.0000034000000000 ] - [ -0.0004482800000000, 0.0000518800000000, 0.0001565100000000 ] - [ -0.0005702700000000, 0.0002124000000000, 0.0002861700000000 ] - [ -0.0002434000000000, 0.0000230100000000, -0.0000328900000000 ] - [ -0.0022177500000000, 0.0004050400000000, 0.0013655000000000 ] - [ -0.0034528000000000, -0.0005041500000000, -0.0014354000000000 ] - [ -0.0004060600000000, 0.0000664700000000, 0.0007098600000000 ] - [ -0.0000312200000000, 0.0000647000000000, -0.0001444400000000 ] - [ -0.0002878100000000, -0.0000344500000000, 0.0000928900000000 ] - [ 0.0006648300000000, 0.0002859400000000, -0.0006200400000000 ] - [ 0.0011912000000000, -0.0000685500000000, -0.0000978200000000 ] - [ -0.0006207500000000, 0.0000095300000000, -0.0000334000000000 ] - [ 0.0001546000000000, 0.0000385800000000, 0.0001795600000000 ] - [ -0.0001671400000000, -0.0001550000000000, 0.0000065200000000 ] - [ -0.0006042400000000, -0.0003509000000000, 0.0000618500000000 ] - [ -0.0004694400000000, 0.0022454100000000, -0.0017341100000000 ] - [ 0.0003530600000000, 0.0005064800000000, -0.0000316800000000 ] - [ -0.0003315000000000, -0.0000157200000000, 0.0001195600000000 ] - [ -0.0001521000000000, -0.0000031200000000, -0.0000823900000000 ] - [ 0.0001669400000000, 0.0001341400000000, -0.0000014500000000 ] - [ -0.0003530700000000, 0.0003873100000000, 0.0003521700000000 ] - [ 0.0001233000000000, 0.0001802900000000, -0.0003055200000000 ] - [ -0.0066373600000000, -0.0017869100000000, 0.0145708900000000 ] - [ -0.0012505700000000, 0.0008070900000000, -0.0002309500000000 ] - [ 0.0001903200000000, -0.0024692500000000, 0.0013274600000000 ] - [ -0.0005611900000000, -0.0001570900000000, -0.0000732100000000 ] - [ -0.0003606500000000, -0.0003332100000000, 0.0001445100000000 ] - [ 0.0003295400000000, -0.0003859600000000, -0.0002012300000000 ] - [ 0.0030985000000000, 0.0013591000000000, 0.0010173400000000 ] - [ -0.0005012300000000, -0.0004516800000000, 0.0000196700000000 ] - [ -0.0001939000000000, -0.0004221900000000, -0.0000429700000000 ] - [ 0.0005479000000000, -0.0004888600000000, -0.0000898300000000 ] - [ 0.0000470200000000, 0.0003679900000000, 0.0000834200000000 ] - [ 0.0001411100000000, 0.0004782000000000, -0.0000804500000000 ] - [ 0.0001017700000000, 0.0005356900000000, 0.0001088400000000 ] - [ -0.0000368400000000, 0.0002988200000000, -0.0001783500000000 ] - [ 0.2047985300000000, 0.0146344400000000, -0.1959357300000000 ] - [ -0.0006496000000000, 0.0006482900000000, -0.0003023400000000 ] - [ 0.0000147200000000, 0.0006738000000000, -0.0003122100000000 ] - [ 0.0007540100000000, 0.0006038400000000, -0.0003827700000000 ] - [ 0.0001645600000000, -0.0007832200000000, 0.0000238300000000 ] - [ -0.0000376700000000, -0.0004358000000000, -0.0005852600000000 ] - [ 0.0001622400000000, -0.0002465300000000, -0.0000918100000000 ] - [ -0.0000400000000000, -0.0017323900000000, -0.0021588500000000 ] - [ -0.0005165800000000, -0.0005932000000000, 0.0004802900000000 ] - [ -0.0001350800000000, -0.0008196000000000, 0.0003622000000000 ] - [ 0.0006101000000000, -0.0020242600000000, -0.0003981400000000 ] - [ -0.0009338500000000, -0.0003941900000000, 0.0004696400000000 ] - [ -0.0002333800000000, 0.0003037200000000, 0.0009400200000000 ] - [ -0.0005159400000000, 0.0006950900000000, 0.0002509000000000 ] - [ -0.0005939000000000, 0.0006144400000000, 0.0004375400000000 ] - [ -0.0000807200000000, 0.0007510300000000, 0.0001912100000000 ] - [ 0.0002920900000000, 0.0002588000000000, 0.0017199500000000 ] - [ -0.0011528000000000, 0.0006485000000000, -0.0011929800000000 ] - [ -0.0006636900000000, 0.0004672400000000, -0.0003147100000000 ] - [ 0.0010774200000000, 0.0005049100000000, -0.0014127600000000 ] - [ -0.0000993800000000, -0.0004666700000000, -0.0005079200000000 ] - [ 0.0000402700000000, -0.0003521900000000, -0.0003884300000000 ] - [ -0.0005624100000000, 0.0013321200000000, -0.0003825200000000 ] - [ -0.0011887100000000, -0.0010679800000000, -0.0000878100000000 ] - [ -0.0001843100000000, -0.0002009800000000, 0.0009043400000000 ] - [ 0.0002330500000000, -0.0007376300000000, 0.0002033400000000 ] - [ -0.0003876300000000, -0.0014461100000000, 0.0008522100000000 ] - [ -0.0006464600000000, -0.0002924000000000, -0.0001100900000000 ] - [ 0.0005827700000000, 0.0004199200000000, 0.0003849400000000 ] - [ -0.0004203600000000, 0.0004265300000000, 0.0004761500000000 ] - [ -0.0002437100000000, 0.0004322300000000, 0.0004785200000000 ] - [ 0.0001732400000000, 0.0004918300000000, 0.0004897600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022109200000000, 0.0045831800000000, -0.0021971300000000 ] - [ -0.0001366000000000, 0.0003391700000000, -0.0000044100000000 ] - [ -0.0001207800000000, 0.0001368700000000, -0.0003500100000000 ] - [ 0.0003170900000000, 0.0005576300000000, -0.0005897500000000 ] - [ -0.0000788400000000, 0.0003779500000000, -0.0000876000000000 ] - [ 0.0000916300000000, 0.0001443000000000, -0.0000006000000000 ] - [ 0.0005050400000000, 0.0004937400000000, -0.0005028500000000 ] - [ 0.0017997500000000, 0.0034309200000000, 0.0016362600000000 ] - [ 0.0001084900000000, -0.0002594500000000, 0.0001400600000000 ] - [ -0.0006668800000000, -0.0019001300000000, -0.0017364800000000 ] - [ -0.0001819600000000, -0.0013904000000000, 0.0007829600000000 ] - [ 0.0001701800000000, -0.0002764000000000, 0.0001527100000000 ] - [ 0.0021229700000000, -0.0011731300000000, 0.0006186500000000 ] - [ -0.0008467000000000, -0.0003573100000000, 0.0002251600000000 ] - [ -0.0000320200000000, -0.0000065700000000, 0.0000567900000000 ] - [ 0.0001291100000000, -0.0001194600000000, 0.0000806700000000 ] - [ -0.0197192900000000, 0.3096805000000000, 0.1245572300000000 ] - [ -0.0003541100000000, 0.0001074400000000, 0.0002982700000000 ] - [ -0.0003590100000000, 0.0000507800000000, 0.0002382400000000 ] - [ -0.0003756700000000, 0.0001378900000000, 0.0002447900000000 ] - [ -0.0003767900000000, -0.0002451100000000, 0.0003566700000000 ] - [ -0.0003717800000000, -0.0003589900000000, 0.0004566600000000 ] - [ -0.0002256400000000, -0.0001471200000000, 0.0001373800000000 ] - [ -0.0004465300000000, -0.0002793200000000, 0.0003332600000000 ] - [ 0.0003888000000000, 0.0000191700000000, -0.0002496800000000 ] - [ 0.0002975400000000, 0.0001943500000000, -0.0002020500000000 ] - [ -0.0002351200000000, 0.0003896600000000, 0.0004136600000000 ] - [ 0.0004402300000000, 0.0002067300000000, -0.0001189700000000 ] - [ 0.0003556000000000, -0.0011140600000000, 0.0005674700000000 ] - [ 0.0003548400000000, -0.0001159700000000, -0.0001699600000000 ] - [ 0.0003483200000000, 0.0000125400000000, -0.0002483400000000 ] - [ 0.0002740000000000, -0.0000975400000000, -0.0003083100000000 ] - [ 0.0000629300000000, -0.0004058700000000, -0.0002985300000000 ] - [ 0.0000199000000000, -0.0003927100000000, -0.0002587800000000 ] - [ 0.0307604400000000, 0.0518878600000000, -0.0248956600000000 ] - [ -0.0000035300000000, -0.0004012400000000, -0.0001626800000000 ] - [ -0.0004499900000000, 0.0006360300000000, 0.0005202300000000 ] - [ 0.0002000200000000, 0.0004005800000000, -0.0004446000000000 ] - [ 0.0000857000000000, 0.0004079900000000, -0.0003333400000000 ] - [ 0.0000686000000000, 0.0004429700000000, -0.0004428500000000 ] - [ -0.0015225700000000, -0.0004531700000000, 0.0019918300000000 ] - [ 0.0000062600000000, 0.0004235200000000, 0.0002228700000000 ] - [ -0.0000164900000000, 0.0004220200000000, 0.0002211400000000 ] - [ -0.0000654000000000, 0.0004039700000000, 0.0002361900000000 ] - [ 0.0000324100000000, -0.0003656600000000, 0.0001204200000000 ] - [ -0.0000557500000000, -0.0004693800000000, 0.0002796500000000 ] - [ 0.0000135200000000, -0.0004217000000000, 0.0001745500000000 ] - [ -0.0000727400000000, -0.0005550300000000, 0.0002571700000000 ] - [ -0.0002961600000000, -0.0002007600000000, -0.0001213700000000 ] - [ -0.0003331100000000, -0.0004082100000000, -0.0003071800000000 ] - [ -0.0002993800000000, -0.0004606700000000, -0.0001957600000000 ] - [ -0.0003431500000000, -0.0004506200000000, -0.0002544100000000 ] - [ -0.0002393600000000, 0.0004889800000000, -0.0001580600000000 ] - [ -0.0001111400000000, 0.0005292200000000, -0.0000270200000000 ] - [ 0.0002138700000000, -0.0006807700000000, -0.0013340700000000 ] - [ -0.0003816600000000, 0.0004334300000000, -0.0002783400000000 ] - [ 0.0004583900000000, 0.0004514100000000, 0.0000828500000000 ] - [ 0.0000517100000000, 0.0005386500000000, -0.0000511600000000 ] - [ 0.0001946000000000, 0.0004755100000000, 0.0002192800000000 ] - [ 0.0011511600000000, 0.0003184300000000, 0.0008500300000000 ] - [ 0.0000892900000000, -0.0010622700000000, 0.0002767900000000 ] - [ 0.0002412400000000, -0.0005071100000000, 0.0001589000000000 ] - [ 0.0002358400000000, -0.0004902200000000, 0.0001587500000000 ] - [ 0.0001571700000000, -0.0005202300000000, 0.0000929900000000 ] - [ 0.0008464200000000, 0.0012900900000000, -0.0007102100000000 ] - [ 0.0003712200000000, 0.0001098100000000, -0.0000359300000000 ] - [ 0.0003303100000000, 0.0001201500000000, -0.0000625800000000 ] - [ 0.0003559300000000, 0.0003894200000000, 0.0002066600000000 ] - [ 0.0003410600000000, -0.0007890900000000, 0.0004169200000000 ] - [ 0.0002164500000000, -0.0002695400000000, -0.0001322800000000 ] - [ 0.0003528300000000, -0.0001211500000000, -0.0000639300000000 ] - [ 0.0003885200000000, -0.0001438900000000, -0.0000519500000000 ] - [ -0.0002867900000000, 0.0000476300000000, 0.0000466600000000 ] - [ -0.0008946500000000, 0.0002737700000000, -0.0002153000000000 ] - [ -0.0003546400000000, 0.0000317200000000, -0.0000252200000000 ] - [ -0.0002738100000000, 0.0001307900000000, 0.0000146100000000 ] - [ -0.0003675200000000, 0.0000446300000000, 0.0000411500000000 ] - [ -0.0003627000000000, -0.0001093000000000, 0.0001308600000000 ] - [ -0.0002416400000000, -0.0005117100000000, -0.0000224100000000 ] - [ -0.0003291400000000, 0.0000012200000000, 0.0000415700000000 ] - [ -0.0003327800000000, -0.0006930500000000, -0.0001606300000000 ] - [ 0.0003693800000000, -0.0008767800000000, 0.0001743300000000 ] - [ 0.0000103600000000, -0.0000193000000000, -0.0000544600000000 ] - [ -0.0000197400000000, -0.0001026900000000, 0.0000663400000000 ] - [ -0.0000489000000000, -0.0000167600000000, -0.0000283100000000 ] - [ 0.0003510200000000, 0.0005225700000000, -0.0007547500000000 ] - [ -0.0000408400000000, 0.0011282500000000, 0.0011125200000000 ] - [ 0.0000222700000000, 0.0000209900000000, 0.0000812100000000 ] - [ -0.0002868000000000, -0.0002202000000000, 0.0005168000000000 ] - [ 0.0001267800000000, -0.0001142000000000, 0.0001125700000000 ] - [ 0.0000962100000000, -0.0001226700000000, -0.0000635800000000 ] - [ -0.0016580900000000, 0.0013429000000000, -0.0018529800000000 ] - [ 0.0001751800000000, 0.0012929300000000, -0.0001632900000000 ] - [ -0.0000185400000000, 0.0003669600000000, -0.0000024300000000 ] - [ 0.0000003100000000, 0.0001540000000000, 0.0000281200000000 ] - [ 0.0000232400000000, 0.0002210600000000, 0.0000628100000000 ] - [ -0.0001291900000000, 0.0002698600000000, 0.0000700700000000 ] - [ -0.0000619100000000, -0.0002402200000000, -0.0001396700000000 ] - [ 0.0012543100000000, -0.0029542900000000, -0.0022012100000000 ] - [ 0.0004182800000000, -0.0001540200000000, 0.0002178300000000 ] - [ 0.0017221000000000, 0.0023507900000000, -0.0016069400000000 ] - [ -0.0003040100000000, -0.0003204600000000, 0.0000473500000000 ] - [ -0.0001186900000000, -0.0003730900000000, 0.0001048800000000 ] - [ -0.0000880000000000, -0.0003535200000000, 0.0001802400000000 ] - [ -0.0000394300000000, 0.0149416700000000, 0.0119541500000000 ] - [ 0.0000903800000000, -0.0004400400000000, -0.0000512500000000 ] - [ 0.0000708100000000, -0.0004135500000000, -0.0000275600000000 ] - [ 0.0001533400000000, -0.0004400300000000, -0.0001145000000000 ] - [ 0.0000467800000000, 0.0005753200000000, -0.0000268300000000 ] - [ 0.0002942600000000, 0.0006702300000000, -0.0000649700000000 ] - [ 0.0000419500000000, 0.0008475100000000, 0.0000535500000000 ] - [ 0.0000950000000000, 0.0008350900000000, -0.0001410600000000 ] - [ -0.0112848500000000, -0.3845607900000000, -0.1061245000000000 ] - [ 0.0003560200000000, 0.0005548600000000, -0.0005140500000000 ] - [ 0.0003320500000000, 0.0006049300000000, -0.0003441600000000 ] - [ 0.0004012100000000, 0.0004972800000000, -0.0003494400000000 ] - [ 0.0007540600000000, -0.0007198900000000, -0.0009861700000000 ] - [ -0.0007183800000000, -0.0002921600000000, -0.0008960600000000 ] - [ 0.0002239000000000, -0.0007138200000000, -0.0002048900000000 ] - [ 0.0005710300000000, -0.0002883900000000, 0.0000139800000000 ] - [ -0.0004140000000000, -0.0006653500000000, 0.0004235000000000 ] - [ -0.0001886200000000, -0.0008290300000000, 0.0005037500000000 ] - [ 0.0010194300000000, -0.0002683300000000, -0.0010962500000000 ] - [ -0.0006111800000000, -0.0008101400000000, 0.0002386600000000 ] - [ -0.0006952800000000, 0.0020787000000000, 0.0001512100000000 ] - [ -0.0003109600000000, 0.0008258400000000, 0.0003547600000000 ] - [ -0.0003943000000000, 0.0006991600000000, 0.0004558900000000 ] - [ -0.0002569400000000, 0.0009694700000000, 0.0004286000000000 ] - [ 0.0001408300000000, -0.0008972900000000, -0.0006257700000000 ] - [ 0.0000844000000000, 0.0003298500000000, -0.0004107700000000 ] - [ 0.0000852400000000, 0.0003853000000000, -0.0004091200000000 ] - [ -0.0000293900000000, 0.0000327800000000, -0.0002408900000000 ] - [ 0.0000181900000000, -0.0004289100000000, -0.0004761000000000 ] - [ -0.0000969200000000, -0.0004399500000000, -0.0005620700000000 ] - [ -0.0019449400000000, 0.0016784300000000, -0.0002810700000000 ] - [ 0.0004376900000000, -0.0002082100000000, -0.0005615600000000 ] - [ -0.0003712200000000, -0.0004744100000000, 0.0006149500000000 ] - [ 0.0007083400000000, -0.0005168600000000, 0.0008231200000000 ] - [ 0.0000146200000000, -0.0005743200000000, 0.0004494700000000 ] - [ -0.0007412800000000, -0.0004172300000000, -0.0000072100000000 ] - [ -0.0001052800000000, 0.0015013800000000, 0.0002334900000000 ] - [ -0.0000002900000000, 0.0005632800000000, 0.0004592100000000 ] - [ -0.0000101300000000, 0.0004809200000000, 0.0005053200000000 ] - [ -0.0000975300000000, 0.0006862500000000, 0.0006966300000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022261800000000, -0.0044366100000000, 0.0020366800000000 ] - [ 0.0001054000000000, -0.0001524000000000, -0.0003063900000000 ] - [ 0.0000847800000000, 0.0000456200000000, 0.0000422000000000 ] - [ -0.0003671800000000, -0.0003915800000000, 0.0002694200000000 ] - [ 0.0000407300000000, -0.0005588700000000, -0.0002313800000000 ] - [ -0.0001303200000000, -0.0003282900000000, -0.0003133200000000 ] - [ -0.0005284400000000, -0.0006873200000000, 0.0002069100000000 ] - [ -0.0018294200000000, -0.0035614200000000, -0.0019120200000000 ] - [ -0.0000667800000000, 0.0000783300000000, 0.0001670200000000 ] - [ 0.0007099600000000, 0.0017319300000000, 0.0020614300000000 ] - [ 0.0002126500000000, 0.0012128800000000, -0.0004698400000000 ] - [ -0.0001254100000000, 0.0000950000000000, 0.0001569600000000 ] - [ -0.0020964300000000, 0.0013488200000000, -0.0003217200000000 ] - [ 0.0008899100000000, 0.0005427000000000, 0.0000830000000000 ] - [ 0.0000744900000000, 0.0001927100000000, 0.0002480400000000 ] - [ -0.0000915400000000, 0.0003021700000000, 0.0002295700000000 ] - [ 0.0162024500000000, -0.2908866300000000, -0.1114733800000000 ] - [ -0.0003458600000000, -0.0000557100000000, 0.0001854900000000 ] - [ -0.0003418200000000, 0.0000016200000000, 0.0002447900000000 ] - [ -0.0003268400000000, -0.0000849100000000, 0.0002382200000000 ] - [ -0.0003245100000000, 0.0001965900000000, 0.0001247900000000 ] - [ -0.0003298900000000, 0.0003101900000000, 0.0000249200000000 ] - [ -0.0004774100000000, 0.0000935100000000, 0.0003488800000000 ] - [ -0.0002549700000000, 0.0002266200000000, 0.0001511000000000 ] - [ 0.0003130300000000, -0.0000718100000000, -0.0002345700000000 ] - [ 0.0004041200000000, -0.0002464500000000, -0.0002823800000000 ] - [ 0.0009222200000000, -0.0004226500000000, -0.0008705900000000 ] - [ 0.0002636300000000, -0.0002595800000000, -0.0003639000000000 ] - [ 0.0003460300000000, 0.0011756500000000, -0.0010575100000000 ] - [ 0.0003471700000000, 0.0001693200000000, -0.0003137100000000 ] - [ 0.0003537100000000, 0.0000387500000000, -0.0002346700000000 ] - [ 0.0004277800000000, 0.0001488200000000, -0.0001736400000000 ] - [ 0.0000173600000000, -0.0004290400000000, -0.0002227800000000 ] - [ 0.0000593100000000, -0.0004423600000000, -0.0002628100000000 ] - [ -0.0319594000000000, -0.0537243500000000, 0.0262220900000000 ] - [ 0.0000841900000000, -0.0004339300000000, -0.0003560000000000 ] - [ 0.0005306700000000, 0.0002009600000000, -0.0010427900000000 ] - [ -0.0001225700000000, 0.0004357900000000, -0.0000728600000000 ] - [ -0.0000051700000000, 0.0004281000000000, -0.0001879800000000 ] - [ 0.0000107400000000, 0.0003932400000000, -0.0000757000000000 ] - [ 0.0014530300000000, 0.0012754900000000, -0.0015028300000000 ] - [ -0.0000833600000000, 0.0004121400000000, 0.0002963900000000 ] - [ -0.0000609700000000, 0.0004143800000000, 0.0002968600000000 ] - [ -0.0000125500000000, 0.0004330400000000, 0.0002815600000000 ] - [ -0.0001124600000000, -0.0004703200000000, 0.0004007600000000 ] - [ -0.0000223100000000, -0.0003653200000000, 0.0002390200000000 ] - [ -0.0000912900000000, -0.0004133000000000, 0.0003446100000000 ] - [ -0.0000050100000000, -0.0002811300000000, 0.0002620100000000 ] - [ -0.0001677900000000, -0.0007618500000000, -0.0002478800000000 ] - [ -0.0001504000000000, -0.0005537500000000, -0.0000419000000000 ] - [ -0.0001828000000000, -0.0005007000000000, -0.0001561300000000 ] - [ -0.0001441600000000, -0.0005094300000000, -0.0000977400000000 ] - [ -0.0002460600000000, 0.0004729000000000, -0.0001933100000000 ] - [ -0.0003769700000000, 0.0004322000000000, -0.0003266200000000 ] - [ -0.0007049800000000, 0.0016488000000000, 0.0009934000000000 ] - [ -0.0001022400000000, 0.0005287300000000, -0.0000715200000000 ] - [ 0.0000254600000000, 0.0005101500000000, 0.0002679800000000 ] - [ 0.0004358800000000, 0.0004227400000000, 0.0004041500000000 ] - [ 0.0002967300000000, 0.0004885800000000, 0.0001348000000000 ] - [ -0.0006561300000000, 0.0006421300000000, -0.0004916900000000 ] - [ 0.0003966400000000, 0.0001056100000000, 0.0000721000000000 ] - [ 0.0002458400000000, -0.0004535100000000, 0.0001930600000000 ] - [ 0.0002509900000000, -0.0004702600000000, 0.0001928200000000 ] - [ 0.0003288300000000, -0.0004400500000000, 0.0002583500000000 ] - [ -0.0001223600000000, -0.0011561100000000, 0.0006123200000000 ] - [ 0.0003583600000000, 0.0000439700000000, -0.0000589100000000 ] - [ 0.0004005300000000, 0.0000342900000000, -0.0000320300000000 ] - [ 0.0003660400000000, -0.0002324600000000, -0.0003007700000000 ] - [ 0.0003927500000000, 0.0006371100000000, -0.0005142300000000 ] - [ 0.0005132200000000, 0.0001169700000000, 0.0000383100000000 ] - [ 0.0003757300000000, -0.0000311800000000, -0.0000307100000000 ] - [ 0.0003401000000000, -0.0000086400000000, -0.0000426700000000 ] - [ -0.0004407300000000, -0.0002035200000000, 0.0000443400000000 ] - [ 0.0001688400000000, -0.0004290700000000, 0.0003118800000000 ] - [ -0.0003697500000000, -0.0001691800000000, 0.0001081000000000 ] - [ -0.0004544200000000, -0.0002833200000000, 0.0000805400000000 ] - [ -0.0003605400000000, 0.0001092600000000, 0.0000525900000000 ] - [ -0.0003661400000000, 0.0002648900000000, -0.0000374500000000 ] - [ -0.0004882000000000, 0.0006690500000000, 0.0001185300000000 ] - [ -0.0003993100000000, 0.0001526600000000, 0.0000530600000000 ] - [ 0.0002745800000000, 0.0007997700000000, 0.0001686500000000 ] - [ -0.0004137700000000, 0.0009794800000000, -0.0001785100000000 ] - [ -0.0000515600000000, 0.0001219500000000, 0.0000675000000000 ] - [ -0.0000160000000000, 0.0002048000000000, -0.0000628600000000 ] - [ 0.0000112900000000, -0.0000844800000000, 0.0000326600000000 ] - [ -0.0003875700000000, -0.0006290000000000, 0.0007615300000000 ] - [ 0.0000067900000000, -0.0012367100000000, -0.0011214100000000 ] - [ -0.0000611200000000, -0.0001210300000000, -0.0000787200000000 ] - [ 0.0003262400000000, 0.0001232000000000, -0.0005212200000000 ] - [ -0.0000920300000000, 0.0000136400000000, -0.0001148800000000 ] - [ -0.0000647800000000, 0.0000191600000000, 0.0000587000000000 ] - [ 0.0016804500000000, -0.0014220500000000, 0.0018277900000000 ] - [ -0.0001399800000000, -0.0011995100000000, 0.0001618100000000 ] - [ 0.0000542400000000, -0.0002662500000000, -0.0000005200000000 ] - [ 0.0000354400000000, -0.0000519900000000, -0.0000314100000000 ] - [ 0.0000141700000000, -0.0001187900000000, -0.0000661200000000 ] - [ -0.0000708700000000, 0.0005107000000000, 0.0000409000000000 ] - [ -0.0001342500000000, 0.0010241300000000, 0.0002505500000000 ] - [ -0.0015654900000000, 0.0036858700000000, 0.0024725700000000 ] - [ -0.0006227700000000, 0.0009349100000000, -0.0001129700000000 ] - [ -0.0019414700000000, -0.0031638600000000, 0.0017328200000000 ] - [ 0.0001052700000000, -0.0004578900000000, 0.0000584100000000 ] - [ -0.0000811500000000, -0.0004047200000000, 0.0000041600000000 ] - [ -0.0001081800000000, -0.0004245100000000, -0.0000719800000000 ] - [ 0.0002337200000000, -0.0157928700000000, -0.0120906300000000 ] - [ 0.0001052200000000, -0.0003378400000000, -0.0000566300000000 ] - [ 0.0001253500000000, -0.0003653600000000, -0.0000800000000000 ] - [ 0.0000483000000000, -0.0003403300000000, 0.0000081800000000 ] - [ 0.0001522500000000, 0.0002029400000000, -0.0000809500000000 ] - [ -0.0000975000000000, 0.0001073200000000, -0.0000419800000000 ] - [ 0.0001572400000000, -0.0000687800000000, -0.0001629700000000 ] - [ 0.0001021900000000, -0.0000550200000000, 0.0000332400000000 ] - [ 0.0161471600000000, 0.3682061500000000, 0.0905866200000000 ] - [ 0.0003395500000000, 0.0007588500000000, -0.0002603900000000 ] - [ 0.0003662400000000, 0.0007082600000000, -0.0004258800000000 ] - [ 0.0002992900000000, 0.0008119600000000, -0.0004182000000000 ] - [ -0.0000555600000000, -0.0005958400000000, 0.0002185800000000 ] - [ 0.0014279400000000, -0.0010238200000000, 0.0001275900000000 ] - [ 0.0004735800000000, -0.0005894300000000, -0.0005662100000000 ] - [ 0.0001269800000000, -0.0010198900000000, -0.0007848900000000 ] - [ -0.0002874500000000, -0.0006463100000000, 0.0003500700000000 ] - [ -0.0005130700000000, -0.0004843700000000, 0.0002696600000000 ] - [ -0.0017118200000000, -0.0010389600000000, 0.0018674900000000 ] - [ -0.0000906500000000, -0.0004966300000000, 0.0005323000000000 ] - [ 0.0000013900000000, -0.0007793300000000, 0.0006221300000000 ] - [ -0.0003898500000000, 0.0004850000000000, 0.0004171200000000 ] - [ -0.0003083100000000, 0.0006158600000000, 0.0003159300000000 ] - [ -0.0004443600000000, 0.0003468200000000, 0.0003420900000000 ] - [ -0.0001190300000000, 0.0017857800000000, -0.0002840100000000 ] - [ -0.0000502100000000, 0.0005524400000000, -0.0005457300000000 ] - [ -0.0000538900000000, 0.0004968800000000, -0.0005462800000000 ] - [ 0.0000749800000000, 0.0008481600000000, -0.0007157300000000 ] - [ 0.0000180600000000, -0.0004520700000000, -0.0004788400000000 ] - [ 0.0001349000000000, -0.0004399800000000, -0.0003905800000000 ] - [ 0.0020093300000000, -0.0025816100000000, -0.0006826000000000 ] - [ -0.0004014400000000, -0.0006718900000000, -0.0003972400000000 ] - [ 0.0003352500000000, -0.0004021800000000, 0.0003431100000000 ] - [ -0.0007504600000000, -0.0003627300000000, 0.0001298800000000 ] - [ -0.0000570700000000, -0.0003190500000000, 0.0005102500000000 ] - [ 0.0006968800000000, -0.0004612500000000, 0.0009566500000000 ] - [ 0.0000711100000000, -0.0006251900000000, 0.0007242100000000 ] - [ -0.0000381300000000, 0.0003175300000000, 0.0004958500000000 ] - [ -0.0000284900000000, 0.0003996800000000, 0.0004509000000000 ] - [ 0.0000623200000000, 0.0001928400000000, 0.0002577800000000 ]- atom: 113 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ -0.0027565700000000, -0.0004425500000000, 0.0042873200000000 ] - [ 0.0011624000000000, 0.0004988700000000, -0.0002477900000000 ] - [ 0.0005143400000000, 0.0000036700000000, -0.0002729500000000 ] - [ -0.0012541300000000, -0.0018646900000000, -0.0028275800000000 ] - [ 0.0002500100000000, 0.0001872800000000, -0.0017302500000000 ] - [ -0.0000125300000000, -0.0003487600000000, -0.0009965200000000 ] - [ 0.0031850800000000, -0.0013242200000000, 0.0013723300000000 ] - [ -0.0032717200000000, 0.0006464100000000, 0.0026539900000000 ] - [ 0.0004513800000000, -0.0001049300000000, -0.0000760700000000 ] - [ -0.0007761600000000, -0.0008002000000000, -0.0014764600000000 ] - [ -0.0009274700000000, 0.0005439500000000, 0.0005006500000000 ] - [ 0.0006292000000000, 0.0000286300000000, 0.0002845900000000 ] - [ 0.0012766300000000, -0.0008574200000000, 0.0013481400000000 ] - [ -0.0001188800000000, 0.0005579200000000, 0.0012489800000000 ] - [ 0.0002960000000000, 0.0005378300000000, -0.0008149700000000 ] - [ -0.0001170600000000, 0.0000927100000000, -0.0004902100000000 ] - [ -0.0388127000000000, 0.1374675700000000, 0.0920751000000000 ] - [ -0.0001476100000000, 0.0000778800000000, 0.0003923400000000 ] - [ -0.0002453700000000, -0.0000403200000000, 0.0001180300000000 ] - [ -0.0004624400000000, -0.0001032300000000, -0.0000627500000000 ] - [ -0.0002857300000000, 0.0001430400000000, 0.0000658600000000 ] - [ -0.0003650500000000, 0.0001280700000000, 0.0000767500000000 ] - [ -0.0003990400000000, -0.0002925100000000, 0.0004231200000000 ] - [ -0.0003617600000000, -0.0000297500000000, 0.0002623000000000 ] - [ 0.0004114700000000, -0.0001624400000000, -0.0004024800000000 ] - [ 0.0002588600000000, -0.0002075700000000, -0.0005513000000000 ] - [ 0.0003745300000000, 0.0031593400000000, 0.0017308300000000 ] - [ 0.0004638500000000, -0.0000179500000000, -0.0000082900000000 ] - [ 0.0002619800000000, 0.0004491600000000, -0.0005901200000000 ] - [ 0.0003406100000000, -0.0001019900000000, -0.0001248600000000 ] - [ 0.0004038200000000, 0.0000419900000000, -0.0003074500000000 ] - [ 0.0002789100000000, 0.0000385600000000, -0.0003518200000000 ] - [ 0.0002710500000000, -0.0003841500000000, -0.0006187300000000 ] - [ 0.0001287600000000, -0.0003831700000000, -0.0007001500000000 ] - [ -0.2197910500000000, -0.0755496000000000, 0.2436841100000000 ] - [ 0.0002894800000000, -0.0004201300000000, -0.0001366400000000 ] - [ 0.0003263800000000, 0.0005597400000000, -0.0005757600000000 ] - [ -0.0001987500000000, 0.0004015200000000, 0.0000628800000000 ] - [ 0.0003685200000000, 0.0003943000000000, -0.0006995600000000 ] - [ -0.0001809100000000, 0.0003682800000000, -0.0001952900000000 ] - [ -0.0017728500000000, 0.0003973500000000, 0.0028277800000000 ] - [ 0.0001930400000000, 0.0003636500000000, 0.0003271100000000 ] - [ 0.0001365200000000, 0.0004424900000000, -0.0000129800000000 ] - [ 0.0000697900000000, 0.0004755100000000, -0.0001508000000000 ] - [ 0.0002321100000000, -0.0004198500000000, -0.0001234900000000 ] - [ -0.0000821300000000, -0.0004073500000000, 0.0002384800000000 ] - [ 0.0000665800000000, -0.0003532700000000, 0.0002049100000000 ] - [ -0.0002269900000000, -0.0004257300000000, 0.0004322700000000 ] - [ 0.0015626700000000, -0.0007276300000000, -0.0011003100000000 ] - [ 0.0002322600000000, -0.0006904200000000, 0.0002551300000000 ] - [ 0.0001890300000000, -0.0005490300000000, -0.0003625300000000 ] - [ -0.0006107100000000, -0.0004223300000000, -0.0004821300000000 ] - [ -0.0001772000000000, 0.0004870400000000, -0.0002301800000000 ] - [ -0.0006351500000000, 0.0004229300000000, -0.0005846000000000 ] - [ -0.0001886600000000, -0.0006244600000000, -0.0004963000000000 ] - [ 0.0001162500000000, 0.0005332700000000, 0.0001060900000000 ] - [ 0.0003199900000000, 0.0004671400000000, -0.0000053500000000 ] - [ 0.0000595200000000, 0.0005232500000000, 0.0000032700000000 ] - [ 0.0009500300000000, 0.0007664800000000, 0.0004752000000000 ] - [ 0.0002424300000000, 0.0004796100000000, 0.0001602500000000 ] - [ 0.0000682500000000, -0.0007072100000000, 0.0004891000000000 ] - [ 0.0005152000000000, -0.0004488400000000, 0.0004023300000000 ] - [ 0.0003087400000000, -0.0004775700000000, 0.0001404500000000 ] - [ -0.0000542000000000, -0.0004956800000000, -0.0001385100000000 ] - [ 0.0004809800000000, -0.0003315200000000, -0.0011703900000000 ] - [ 0.0004846000000000, 0.0001187200000000, -0.0000575300000000 ] - [ 0.0006365400000000, 0.0002077600000000, -0.0001272400000000 ] - [ -0.0004768200000000, 0.0004208000000000, -0.0003481600000000 ] - [ 0.0002860300000000, -0.0004291200000000, 0.0005065600000000 ] - [ 0.0005061800000000, -0.0000025700000000, 0.0000733200000000 ] - [ 0.0003803100000000, -0.0001141500000000, -0.0001822600000000 ] - [ 0.0003987700000000, -0.0001127400000000, -0.0002042400000000 ] - [ -0.0001211400000000, -0.0002383100000000, -0.0002974000000000 ] - [ -0.0008760000000000, 0.0001639100000000, 0.0001101100000000 ] - [ 0.0002621900000000, 0.0019406700000000, -0.0015015200000000 ] - [ -0.0003411200000000, -0.0001222100000000, 0.0000712600000000 ] - [ -0.0003288200000000, 0.0000248700000000, -0.0000988300000000 ] - [ -0.0003320400000000, 0.0000795000000000, -0.0001396200000000 ] - [ -0.0006111000000000, 0.0001227300000000, 0.0005918500000000 ] - [ -0.0002988500000000, 0.0000542200000000, 0.0001225200000000 ] - [ -0.0026271700000000, 0.0002593300000000, 0.0002745900000000 ] - [ -0.0008612100000000, -0.0000825700000000, -0.0015033000000000 ] - [ -0.0006524300000000, 0.0000612800000000, 0.0014896800000000 ] - [ 0.0000944500000000, 0.0000356900000000, 0.0003621200000000 ] - [ -0.0001770800000000, -0.0000438500000000, 0.0001806000000000 ] - [ 0.0001306100000000, -0.0000892500000000, 0.0004892800000000 ] - [ 0.0007348500000000, 0.0008767200000000, 0.0000458300000000 ] - [ -0.0004702200000000, 0.0001060700000000, -0.0000566300000000 ] - [ -0.0001308600000000, 0.0001267700000000, 0.0007009100000000 ] - [ -0.0000114800000000, -0.0001305700000000, 0.0002951700000000 ] - [ -0.0007148400000000, -0.0004962500000000, -0.0003345800000000 ] - [ 0.0008567900000000, -0.0002055400000000, -0.0008326200000000 ] - [ 0.0005218200000000, 0.0001151000000000, -0.0004619200000000 ] - [ -0.0003446500000000, 0.0000462000000000, -0.0000455800000000 ] - [ -0.0000988700000000, 0.0000407500000000, 0.0000999400000000 ] - [ 0.0001186400000000, 0.0002004600000000, 0.0003194100000000 ] - [ -0.0004123600000000, 0.0004013100000000, 0.0004541700000000 ] - [ 0.0003516800000000, 0.0004778300000000, 0.0006935700000000 ] - [ -0.0148475300000000, -0.0035898000000000, 0.0224755600000000 ] - [ -0.0004019700000000, 0.0003888400000000, -0.0001577300000000 ] - [ -0.0006897500000000, -0.0027467700000000, 0.0001884100000000 ] - [ -0.0002887600000000, -0.0001980700000000, -0.0004591100000000 ] - [ -0.0003468500000000, -0.0003134500000000, 0.0004112500000000 ] - [ 0.0003063000000000, -0.0003445600000000, 0.0003884400000000 ] - [ 0.0021575000000000, 0.0098105100000000, 0.0044723100000000 ] - [ -0.0002729900000000, -0.0004023400000000, -0.0001707000000000 ] - [ -0.0001591800000000, -0.0004538500000000, 0.0001610200000000 ] - [ 0.0005353600000000, -0.0006212600000000, 0.0005317800000000 ] - [ -0.0000805400000000, 0.0003442200000000, 0.0003254900000000 ] - [ 0.0003341200000000, 0.0003511100000000, 0.0002616700000000 ] - [ 0.0000074700000000, 0.0005831700000000, -0.0002445400000000 ] - [ 0.0000413200000000, 0.0003983300000000, -0.0004245900000000 ] - [ 0.2780888000000000, -0.0658559500000000, -0.3701776800000000 ] - [ -0.0003998700000000, 0.0005594800000000, -0.0008713100000000 ] - [ 0.0000675700000000, 0.0006982000000000, 0.0000076500000000 ] - [ 0.0006279700000000, 0.0006452700000000, 0.0004190200000000 ] - [ 0.0000091300000000, -0.0008760200000000, -0.0000029100000000 ] - [ 0.0013684300000000, -0.0007955700000000, 0.0000569600000000 ] - [ -0.0000745400000000, 0.0000634900000000, -0.0000828500000000 ] - [ 0.0002274100000000, -0.0010197800000000, -0.0010206000000000 ] - [ -0.0005321000000000, -0.0005862600000000, 0.0007469200000000 ] - [ -0.0001836500000000, -0.0006838800000000, 0.0010907900000000 ] - [ 0.0008722700000000, -0.0026711500000000, -0.0024932000000000 ] - [ -0.0008135300000000, -0.0005823500000000, -0.0000482100000000 ] - [ -0.0006705300000000, 0.0005844500000000, 0.0009663500000000 ] - [ -0.0003655600000000, 0.0007050700000000, 0.0002481700000000 ] - [ -0.0005548700000000, 0.0005770600000000, 0.0004896500000000 ] - [ -0.0000250300000000, 0.0006897600000000, 0.0004589900000000 ] - [ -0.0015991000000000, 0.0002628300000000, 0.0034775800000000 ] - [ -0.0005156800000000, 0.0005624800000000, -0.0007286400000000 ] - [ -0.0007475300000000, 0.0004737600000000, -0.0002141000000000 ] - [ 0.0013163900000000, 0.0004394800000000, -0.0002551400000000 ] - [ -0.0001359000000000, -0.0004577700000000, -0.0002338100000000 ] - [ 0.0001507700000000, -0.0003205600000000, 0.0002230700000000 ] - [ -0.0007527700000000, 0.0014413700000000, -0.0017166800000000 ] - [ -0.0003840600000000, -0.0005167400000000, -0.0008627500000000 ] - [ -0.0003606900000000, -0.0002325300000000, 0.0008271100000000 ] - [ 0.0006973000000000, -0.0005859100000000, 0.0005199800000000 ] - [ -0.0008245200000000, -0.0021683200000000, 0.0011466800000000 ] - [ -0.0000721300000000, -0.0004171600000000, 0.0004927100000000 ] - [ 0.0003428300000000, 0.0005805400000000, -0.0004061500000000 ] - [ -0.0002971200000000, 0.0004128500000000, 0.0002135600000000 ] - [ -0.0001753300000000, 0.0004402600000000, 0.0006949100000000 ] - [ 0.0000909900000000, 0.0004450000000000, 0.0010510900000000 ]- atom: 113 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ 0.0027211400000000, 0.0006611500000000, -0.0046874500000000 ] - [ -0.0011981700000000, -0.0003122800000000, -0.0000635500000000 ] - [ -0.0005515700000000, 0.0001774100000000, -0.0000344700000000 ] - [ 0.0012015400000000, 0.0020300200000000, 0.0025199300000000 ] - [ -0.0002896400000000, -0.0003685000000000, 0.0014161500000000 ] - [ -0.0000246700000000, 0.0001647600000000, 0.0006838200000000 ] - [ -0.0032271100000000, 0.0011294100000000, -0.0016629600000000 ] - [ 0.0033534000000000, -0.0007979400000000, -0.0029365800000000 ] - [ -0.0004111300000000, -0.0000770500000000, 0.0003833300000000 ] - [ 0.0008215100000000, 0.0006305100000000, 0.0018005000000000 ] - [ 0.0009624100000000, -0.0007121600000000, -0.0001907700000000 ] - [ -0.0005877200000000, -0.0002092700000000, 0.0000255200000000 ] - [ -0.0012530400000000, 0.0010369600000000, -0.0010483600000000 ] - [ 0.0001635900000000, -0.0003746400000000, -0.0009409100000000 ] - [ -0.0002538900000000, -0.0003519000000000, 0.0011219100000000 ] - [ 0.0001552400000000, 0.0000901400000000, 0.0008004200000000 ] - [ 0.0398497900000000, -0.1342049400000000, -0.0922055800000000 ] - [ -0.0005531000000000, -0.0000272800000000, 0.0000912800000000 ] - [ -0.0004555200000000, 0.0000919300000000, 0.0003651300000000 ] - [ -0.0002399700000000, 0.0001549900000000, 0.0005463400000000 ] - [ -0.0004160200000000, -0.0001926700000000, 0.0004165100000000 ] - [ -0.0003360900000000, -0.0001784200000000, 0.0004058700000000 ] - [ -0.0003052100000000, 0.0002398700000000, 0.0000642200000000 ] - [ -0.0003390400000000, -0.0000217800000000, 0.0002214400000000 ] - [ 0.0002900900000000, 0.0001096500000000, -0.0000812700000000 ] - [ 0.0004427900000000, 0.0001563800000000, 0.0000681000000000 ] - [ 0.0003226800000000, -0.0032012600000000, -0.0021972800000000 ] - [ 0.0002388400000000, -0.0000349100000000, -0.0004738900000000 ] - [ 0.0004411400000000, -0.0003943100000000, 0.0001035300000000 ] - [ 0.0003612600000000, 0.0001553700000000, -0.0003593900000000 ] - [ 0.0002979000000000, 0.0000082300000000, -0.0001749800000000 ] - [ 0.0004237500000000, 0.0000124200000000, -0.0001287200000000 ] - [ -0.0001914200000000, -0.0004513700000000, 0.0000982500000000 ] - [ -0.0000505600000000, -0.0004526300000000, 0.0001803900000000 ] - [ 0.2375527900000000, 0.0809724000000000, -0.2653921400000000 ] - [ -0.0002106300000000, -0.0004158900000000, -0.0003802500000000 ] - [ -0.0002481000000000, 0.0002788600000000, 0.0000569700000000 ] - [ 0.0002769800000000, 0.0004346600000000, -0.0005836700000000 ] - [ -0.0002897100000000, 0.0004414700000000, 0.0001805500000000 ] - [ 0.0002606200000000, 0.0004678500000000, -0.0003216900000000 ] - [ 0.0017047600000000, 0.0004332500000000, -0.0023278600000000 ] - [ -0.0002709700000000, 0.0004713500000000, 0.0001929400000000 ] - [ -0.0002141700000000, 0.0003933300000000, 0.0005312900000000 ] - [ -0.0001477100000000, 0.0003610000000000, 0.0006690400000000 ] - [ -0.0003126400000000, -0.0004166300000000, 0.0006453600000000 ] - [ 0.0000044700000000, -0.0004282000000000, 0.0002796800000000 ] - [ -0.0001454000000000, -0.0004823600000000, 0.0003157700000000 ] - [ 0.0001505600000000, -0.0004097000000000, 0.0000862400000000 ] - [ -0.0020323600000000, -0.0002375900000000, 0.0007370700000000 ] - [ -0.0007207000000000, -0.0002694300000000, -0.0006084700000000 ] - [ -0.0006712500000000, -0.0004129900000000, 0.0000118000000000 ] - [ 0.0001262100000000, -0.0005383100000000, 0.0001310100000000 ] - [ -0.0003087700000000, 0.0004742000000000, -0.0001210100000000 ] - [ 0.0001484800000000, 0.0005380500000000, 0.0002331700000000 ] - [ -0.0003103600000000, 0.0016168900000000, 0.0001661500000000 ] - [ -0.0006015900000000, 0.0004275400000000, -0.0004561200000000 ] - [ 0.0001636200000000, 0.0004938200000000, 0.0003565300000000 ] - [ 0.0004281300000000, 0.0004373900000000, 0.0003493700000000 ] - [ -0.0004590000000000, 0.0001964200000000, -0.0001210200000000 ] - [ 0.0002434800000000, 0.0004816500000000, 0.0001915000000000 ] - [ 0.0004186200000000, -0.0002497600000000, -0.0001401600000000 ] - [ -0.0000291900000000, -0.0005124000000000, -0.0000510700000000 ] - [ 0.0001779800000000, -0.0004833800000000, 0.0002113800000000 ] - [ 0.0005414500000000, -0.0004648200000000, 0.0004912100000000 ] - [ 0.0002432400000000, 0.0004675300000000, 0.0010755600000000 ] - [ 0.0002442800000000, 0.0000341500000000, -0.0000375300000000 ] - [ 0.0000932900000000, -0.0000537600000000, 0.0000329800000000 ] - [ 0.0012015700000000, -0.0002685700000000, 0.0002557500000000 ] - [ 0.0004467400000000, 0.0002822500000000, -0.0006092900000000 ] - [ 0.0002222400000000, -0.0001504200000000, -0.0001680100000000 ] - [ 0.0003482400000000, -0.0000387400000000, 0.0000882200000000 ] - [ 0.0003298400000000, -0.0000408700000000, 0.0001103700000000 ] - [ -0.0006072300000000, 0.0000817300000000, 0.0003887200000000 ] - [ 0.0001519400000000, -0.0003204500000000, -0.0000153300000000 ] - [ -0.0009893700000000, -0.0020872800000000, 0.0015873900000000 ] - [ -0.0003874500000000, -0.0000320400000000, 0.0000235200000000 ] - [ -0.0003994200000000, 0.0001287900000000, 0.0001930400000000 ] - [ -0.0003972000000000, 0.0000752600000000, 0.0002345600000000 ] - [ -0.0001168100000000, 0.0000346300000000, -0.0004998800000000 ] - [ -0.0004302800000000, 0.0000995400000000, -0.0000278200000000 ] - [ 0.0025568600000000, -0.0001490600000000, -0.0002619700000000 ] - [ 0.0008290600000000, 0.0001905100000000, 0.0015118000000000 ] - [ 0.0006108200000000, 0.0000411100000000, -0.0014760900000000 ] - [ -0.0001312800000000, 0.0000665400000000, -0.0003597100000000 ] - [ 0.0001397400000000, -0.0000578600000000, -0.0001764400000000 ] - [ -0.0001641300000000, -0.0000145200000000, -0.0004874000000000 ] - [ -0.0007736900000000, -0.0010001800000000, -0.0000628500000000 ] - [ 0.0004331100000000, -0.0002071100000000, 0.0000586800000000 ] - [ 0.0001705700000000, -0.0002249700000000, -0.0007063500000000 ] - [ 0.0000463000000000, 0.0000295700000000, -0.0002969600000000 ] - [ 0.0007477700000000, 0.0003936300000000, 0.0003298400000000 ] - [ -0.0008146200000000, 0.0001020600000000, 0.0008347900000000 ] - [ -0.0004883400000000, -0.0000222500000000, 0.0004634200000000 ] - [ 0.0003822400000000, 0.0000538600000000, 0.0000431500000000 ] - [ 0.0001349200000000, 0.0000601000000000, -0.0001032000000000 ] - [ -0.0000812700000000, -0.0001002900000000, -0.0003239800000000 ] - [ 0.0002132900000000, 0.0003785200000000, -0.0003433800000000 ] - [ -0.0005496100000000, 0.0003027600000000, -0.0005846100000000 ] - [ 0.0146421300000000, 0.0043887100000000, -0.0223656400000000 ] - [ 0.0002034000000000, 0.0003895400000000, 0.0002637800000000 ] - [ 0.0004950200000000, 0.0019575400000000, -0.0000835600000000 ] - [ 0.0000917200000000, -0.0005817100000000, 0.0005680900000000 ] - [ 0.0001478300000000, -0.0004646900000000, -0.0003034600000000 ] - [ -0.0005035200000000, -0.0004340600000000, -0.0002823300000000 ] - [ -0.0019516000000000, -0.0107080700000000, -0.0046719300000000 ] - [ 0.0004700500000000, -0.0003752400000000, 0.0000627800000000 ] - [ 0.0003560600000000, -0.0003255300000000, -0.0002688000000000 ] - [ -0.0003349800000000, -0.0001590000000000, -0.0006386100000000 ] - [ 0.0002801200000000, 0.0004337000000000, -0.0004342700000000 ] - [ -0.0001378700000000, 0.0004264900000000, -0.0003692100000000 ] - [ 0.0001928000000000, 0.0001908400000000, 0.0001334400000000 ] - [ 0.0001555900000000, 0.0003791800000000, 0.0003180000000000 ] - [ -0.2969177000000000, 0.0577766800000000, 0.3912654700000000 ] - [ 0.0010988600000000, 0.0007548700000000, 0.0000968100000000 ] - [ 0.0006313400000000, 0.0006150600000000, -0.0007784200000000 ] - [ 0.0000726600000000, 0.0006649700000000, -0.0011893700000000 ] - [ 0.0006925300000000, -0.0004416500000000, -0.0007679600000000 ] - [ -0.0006680900000000, -0.0005196000000000, -0.0008248000000000 ] - [ 0.0007745300000000, -0.0013684900000000, -0.0006915600000000 ] - [ 0.0004679000000000, -0.0002905000000000, 0.0002481700000000 ] - [ -0.0001693700000000, -0.0007267900000000, 0.0000265400000000 ] - [ -0.0005186200000000, -0.0006313000000000, -0.0003183900000000 ] - [ -0.0015740600000000, 0.0013588800000000, 0.0032664700000000 ] - [ 0.0001133300000000, -0.0007265700000000, 0.0008190800000000 ] - [ -0.0000249500000000, 0.0007202800000000, -0.0001952300000000 ] - [ -0.0003355700000000, 0.0006055200000000, 0.0005250700000000 ] - [ -0.0001467400000000, 0.0007377300000000, 0.0002811400000000 ] - [ -0.0006788300000000, 0.0006238600000000, 0.0003114100000000 ] - [ 0.0016128700000000, 0.0006266300000000, -0.0043645100000000 ] - [ 0.0005538900000000, 0.0003176700000000, -0.0002239600000000 ] - [ 0.0007804700000000, 0.0004078000000000, -0.0007428800000000 ] - [ -0.0012770700000000, 0.0004428600000000, -0.0007040000000000 ] - [ 0.0001723900000000, -0.0004236700000000, -0.0007216700000000 ] - [ -0.0001136600000000, -0.0005598100000000, -0.0011784100000000 ] - [ 0.0008277000000000, -0.0023695500000000, 0.0007639200000000 ] - [ 0.0004191700000000, -0.0003653400000000, -0.0000940600000000 ] - [ 0.0003260000000000, -0.0006447500000000, 0.0001304800000000 ] - [ -0.0007408000000000, -0.0002933000000000, 0.0004350100000000 ] - [ 0.0007843900000000, 0.0012816600000000, -0.0001879600000000 ] - [ 0.0000350200000000, -0.0004629300000000, 0.0004626600000000 ] - [ -0.0003790800000000, 0.0002927700000000, 0.0013667300000000 ] - [ 0.0002603000000000, 0.0004671100000000, 0.0007422300000000 ] - [ 0.0001371800000000, 0.0004396100000000, 0.0002609300000000 ] - [ -0.0001269000000000, 0.0004338500000000, -0.0000982600000000 ]- atom: 129 displacement: [ 0.0099999754550513, 0.0000000000000000, -0.0000221562264603 ] forces: - [ 0.0059977700000000, -0.0002914700000000, -0.0009619500000000 ] - [ -0.0023411000000000, -0.0015722700000000, 0.0002387300000000 ] - [ -0.0004286400000000, -0.0001379100000000, -0.0002030400000000 ] - [ 0.0003769500000000, 0.0002501200000000, -0.0003707500000000 ] - [ 0.0046161700000000, 0.0002386200000000, -0.0010387000000000 ] - [ -0.0018013200000000, 0.0002333400000000, -0.0007230900000000 ] - [ -0.0010446700000000, -0.0001451200000000, 0.0001894700000000 ] - [ 0.0020732800000000, -0.0011439300000000, -0.0017155700000000 ] - [ -0.0006858800000000, 0.0001634300000000, 0.0004044800000000 ] - [ 0.0006230700000000, -0.0003430800000000, -0.0006734100000000 ] - [ 0.0004450300000000, -0.0001284400000000, 0.0004053900000000 ] - [ -0.0003998100000000, 0.0000865700000000, -0.0000499300000000 ] - [ 0.0020664400000000, 0.0018635700000000, 0.0001340500000000 ] - [ -0.0010977300000000, -0.0000422800000000, 0.0004396400000000 ] - [ -0.0004231100000000, -0.0000195000000000, -0.0001272500000000 ] - [ 0.0003304800000000, 0.0002641100000000, 0.0002791600000000 ] - [ 0.0000688800000000, -0.0004480000000000, 0.0017013800000000 ] - [ -0.0008473000000000, 0.0002052500000000, 0.0002694600000000 ] - [ -0.0004242200000000, 0.0001265200000000, 0.0002626300000000 ] - [ -0.0002356700000000, -0.0001928100000000, 0.0001319700000000 ] - [ -0.0002179800000000, -0.0005000700000000, 0.0008651300000000 ] - [ -0.0003644200000000, 0.0002957400000000, -0.0000209400000000 ] - [ -0.0003790800000000, -0.0000437500000000, 0.0003156200000000 ] - [ -0.0003464300000000, -0.0000569200000000, 0.0002240000000000 ] - [ 0.0003116100000000, 0.0004630800000000, 0.0001092100000000 ] - [ 0.0004887800000000, -0.0011617400000000, -0.0010100900000000 ] - [ 0.0003624800000000, 0.0000782900000000, -0.0000801500000000 ] - [ 0.0000210400000000, 0.0001447300000000, -0.0008417900000000 ] - [ 0.0005027400000000, -0.0001287400000000, -0.0000966600000000 ] - [ 0.0002347800000000, 0.0000314800000000, -0.0002405700000000 ] - [ 0.0003111700000000, 0.0000417000000000, -0.0002702500000000 ] - [ 0.0003819200000000, -0.0001074100000000, -0.0001621800000000 ] - [ -0.0004982100000000, -0.0005177600000000, 0.0004951800000000 ] - [ 0.0007446600000000, -0.0003450400000000, -0.0017030600000000 ] - [ -0.0005735300000000, -0.0005129200000000, 0.0002405200000000 ] - [ -0.0004065700000000, -0.0004658100000000, -0.0006460900000000 ] - [ 0.0003023300000000, -0.0005028400000000, -0.0010867900000000 ] - [ -0.0005649500000000, 0.0004665100000000, 0.0001239100000000 ] - [ -0.0000544100000000, 0.0004262600000000, -0.0002093300000000 ] - [ 0.0001245200000000, 0.0004106000000000, -0.0003250400000000 ] - [ -0.0006231900000000, 0.0004478800000000, 0.0011606900000000 ] - [ -0.0005494000000000, 0.0006442900000000, 0.0003622900000000 ] - [ -0.0002115600000000, 0.0004165600000000, 0.0003940800000000 ] - [ 0.0002749600000000, 0.0004576800000000, -0.0000584900000000 ] - [ 0.0002022200000000, -0.0003692100000000, 0.0000994100000000 ] - [ -0.0002355200000000, -0.0004200000000000, 0.0003501100000000 ] - [ -0.0001672800000000, -0.0004141500000000, 0.0003879200000000 ] - [ 0.0000585200000000, -0.0004043300000000, 0.0001724900000000 ] - [ 0.1919919500000000, -0.0440070600000000, 0.1585174600000000 ] - [ -0.0008682400000000, -0.0004110700000000, -0.0004546300000000 ] - [ -0.0005089600000000, -0.0004276300000000, -0.0003308900000000 ] - [ -0.0000112400000000, -0.0005088500000000, -0.0000724400000000 ] - [ -0.0004854600000000, 0.0003522300000000, -0.0002231800000000 ] - [ -0.0003069000000000, 0.0006775600000000, -0.0004288000000000 ] - [ 0.0002805500000000, 0.0005952900000000, 0.0002043600000000 ] - [ -0.0005496300000000, 0.0004217600000000, -0.0003913900000000 ] - [ 0.0006238700000000, 0.0007559700000000, 0.0006323100000000 ] - [ -0.0002217400000000, 0.0004396000000000, -0.0000565100000000 ] - [ 0.0000790000000000, 0.0005069200000000, 0.0001143700000000 ] - [ 0.0003815000000000, 0.0004802400000000, 0.0001917300000000 ] - [ 0.0006076700000000, -0.0006847100000000, 0.0005540500000000 ] - [ 0.0000282200000000, -0.0004434300000000, 0.0000599400000000 ] - [ 0.0001289800000000, -0.0004777900000000, 0.0001224400000000 ] - [ 0.0003090100000000, -0.0005158200000000, 0.0001287900000000 ] - [ 0.0675374200000000, 0.1308535800000000, 0.0295177900000000 ] - [ 0.0000159000000000, 0.0000113800000000, 0.0000353300000000 ] - [ 0.0002139000000000, 0.0000761900000000, -0.0000520600000000 ] - [ 0.0005073700000000, 0.0001098900000000, -0.0000955500000000 ] - [ 0.0001410300000000, 0.0001289500000000, 0.0001501300000000 ] - [ 0.0004961200000000, -0.0001774600000000, -0.0000056500000000 ] - [ 0.0003619300000000, -0.0001630600000000, 0.0000143700000000 ] - [ 0.0002955500000000, -0.0000057400000000, -0.0001242800000000 ] - [ -0.0008968800000000, 0.0007231000000000, 0.0007482200000000 ] - [ -0.0007754100000000, -0.0005230800000000, 0.0002980500000000 ] - [ -0.0003682900000000, -0.0001785400000000, 0.0000710600000000 ] - [ -0.0003430500000000, 0.0000786000000000, -0.0000095800000000 ] - [ -0.0004766600000000, 0.0000641800000000, 0.0000900900000000 ] - [ -0.0001535700000000, 0.0001255800000000, -0.0002446400000000 ] - [ -0.0001512100000000, -0.0000993700000000, -0.0000895100000000 ] - [ -0.0004750600000000, 0.0001283300000000, 0.0001139000000000 ] - [ 0.0134013200000000, -0.0051220000000000, 0.0143507400000000 ] - [ 0.0010263800000000, 0.0004119300000000, -0.0004386800000000 ] - [ 0.0001912200000000, 0.0000470800000000, 0.0002868300000000 ] - [ 0.0000039800000000, -0.0001953600000000, -0.0003374700000000 ] - [ 0.0004975800000000, 0.0000310200000000, -0.0002230800000000 ] - [ -0.0008374600000000, -0.0012671800000000, 0.0010515200000000 ] - [ -0.0004918400000000, -0.0000048900000000, -0.0001066700000000 ] - [ 0.0002883300000000, 0.0000025700000000, 0.0000378800000000 ] - [ -0.0017421700000000, -0.0012561600000000, -0.0008705100000000 ] - [ 0.0006342100000000, 0.0000709900000000, 0.0000291900000000 ] - [ 0.0003697800000000, -0.0000523500000000, -0.0000811800000000 ] - [ -0.0005787200000000, -0.0002829000000000, 0.0001805600000000 ] - [ 0.0000810800000000, -0.0007708100000000, -0.0002309900000000 ] - [ 0.0001503100000000, 0.0001776600000000, 0.0000459000000000 ] - [ 0.0000972500000000, 0.0000855800000000, 0.0000051700000000 ] - [ -0.0000478800000000, 0.0000340700000000, 0.0000825400000000 ] - [ 0.0009020900000000, 0.0002224200000000, -0.0008727700000000 ] - [ 0.0038814100000000, 0.0011948000000000, 0.0030315400000000 ] - [ 0.0000656500000000, 0.0003798500000000, -0.0004007200000000 ] - [ 0.0001689400000000, 0.0005031700000000, 0.0007090200000000 ] - [ -0.0014042900000000, 0.0003710600000000, 0.0005724500000000 ] - [ 0.0006053900000000, -0.0003658800000000, -0.0000803500000000 ] - [ 0.0001463300000000, -0.0004415700000000, 0.0001375400000000 ] - [ -0.0005314500000000, 0.0000594100000000, -0.0002884900000000 ] - [ -0.0003474800000000, 0.0040384500000000, -0.0030316400000000 ] - [ 0.0008588100000000, -0.0006491300000000, -0.0001932900000000 ] - [ 0.0003451700000000, -0.0004410100000000, -0.0000789000000000 ] - [ -0.0001938600000000, -0.0003418600000000, 0.0001295600000000 ] - [ -0.0000670900000000, 0.0006448200000000, -0.0002083000000000 ] - [ 0.0003150200000000, 0.0002376700000000, 0.0001005800000000 ] - [ 0.0002165100000000, 0.0003312300000000, -0.0002603800000000 ] - [ 0.0000180600000000, 0.0003992400000000, 0.0000700700000000 ] - [ 0.0000737000000000, 0.0007924900000000, -0.0028654000000000 ] - [ 0.0015305000000000, 0.0007249400000000, -0.0000101000000000 ] - [ 0.0010290200000000, 0.0007253700000000, -0.0007934200000000 ] - [ -0.0007085600000000, 0.0006023300000000, 0.0004028200000000 ] - [ 0.0009298000000000, 0.0012991600000000, -0.0009034200000000 ] - [ 0.0015601000000000, -0.0010775400000000, 0.0002031900000000 ] - [ 0.0004671400000000, -0.0006545800000000, -0.0004870600000000 ] - [ 0.0003280600000000, -0.0005388000000000, -0.0002251500000000 ] - [ -0.0001826100000000, -0.0010089300000000, 0.0000719900000000 ] - [ -0.0006064000000000, 0.0000731800000000, 0.0011376100000000 ] - [ 0.0000135400000000, -0.0006180900000000, -0.0003743500000000 ] - [ 0.0002809300000000, -0.0013757600000000, 0.0009070500000000 ] - [ -0.0009508200000000, 0.0007399900000000, 0.0003172800000000 ] - [ 0.0000520900000000, 0.0006362800000000, 0.0003824200000000 ] - [ -0.0001262700000000, 0.0006484100000000, 0.0003830400000000 ] - [ -0.0005427200000000, 0.0007375300000000, 0.0003541100000000 ] - [ -0.2864267200000000, -0.0842685000000000, -0.1968849500000000 ] - [ 0.0010125800000000, 0.0004281300000000, -0.0004726100000000 ] - [ 0.0004193800000000, 0.0004297700000000, -0.0004208500000000 ] - [ -0.0004088600000000, 0.0003993200000000, -0.0003507700000000 ] - [ 0.0002587800000000, -0.0002767300000000, -0.0005982500000000 ] - [ 0.0001502200000000, -0.0006667300000000, -0.0001182300000000 ] - [ 0.0002546700000000, -0.0007033100000000, -0.0019689100000000 ] - [ 0.0001499800000000, -0.0000002700000000, -0.0001905900000000 ] - [ -0.0000688800000000, -0.0012702800000000, -0.0001875400000000 ] - [ 0.0006039700000000, -0.0000281500000000, 0.0004955700000000 ] - [ 0.0000842700000000, -0.0003694200000000, 0.0005012200000000 ] - [ -0.0001203200000000, -0.0005793300000000, 0.0005053600000000 ] - [ -0.0007043700000000, 0.0007589800000000, 0.0002246100000000 ] - [ 0.0003496100000000, 0.0003816300000000, 0.0004853600000000 ] - [ 0.0002382600000000, 0.0004597500000000, 0.0004421000000000 ] - [ -0.0003681000000000, 0.0003007400000000, 0.0007931300000000 ]- atom: 129 displacement: [ -0.0099999754550513, 0.0000000000000000, 0.0000221562264603 ] forces: - [ -0.0057561700000000, 0.0002772300000000, 0.0005319300000000 ] - [ 0.0023025400000000, 0.0017407600000000, -0.0005282800000000 ] - [ 0.0003861800000000, 0.0003185300000000, -0.0001089700000000 ] - [ -0.0004154700000000, -0.0000684000000000, 0.0000596200000000 ] - [ -0.0046572000000000, -0.0004340500000000, 0.0007024100000000 ] - [ 0.0017559800000000, -0.0004126100000000, 0.0004108500000000 ] - [ 0.0009997600000000, -0.0000388700000000, -0.0004961100000000 ] - [ -0.0021019200000000, 0.0009470300000000, 0.0013969700000000 ] - [ 0.0007242500000000, -0.0003437600000000, -0.0000934400000000 ] - [ -0.0005777500000000, 0.0001662500000000, 0.0009839200000000 ] - [ -0.0004035600000000, -0.0000504200000000, -0.0000982500000000 ] - [ 0.0004367800000000, -0.0002663000000000, 0.0003563800000000 ] - [ -0.0020257200000000, -0.0016613100000000, 0.0001753300000000 ] - [ 0.0011362900000000, 0.0002258100000000, -0.0001288300000000 ] - [ 0.0004617900000000, 0.0002011900000000, 0.0004330300000000 ] - [ -0.0002931400000000, -0.0000786700000000, 0.0000316000000000 ] - [ -0.0007628100000000, 0.0004918500000000, -0.0012203200000000 ] - [ 0.0001413600000000, -0.0001517500000000, 0.0002144600000000 ] - [ -0.0002778300000000, -0.0000757600000000, 0.0002196400000000 ] - [ -0.0004654100000000, 0.0002434200000000, 0.0003511500000000 ] - [ -0.0004885500000000, 0.0004548900000000, -0.0003923600000000 ] - [ -0.0003378300000000, -0.0003454300000000, 0.0005023400000000 ] - [ -0.0003231600000000, -0.0000085200000000, 0.0001684400000000 ] - [ -0.0003555300000000, 0.0000044400000000, 0.0002596000000000 ] - [ 0.0003886100000000, -0.0005188200000000, -0.0005951500000000 ] - [ 0.0002145100000000, 0.0011039600000000, 0.0005228800000000 ] - [ 0.0003393900000000, -0.0001334800000000, -0.0004039700000000 ] - [ 0.0006780800000000, -0.0001965900000000, 0.0003530800000000 ] - [ 0.0001990600000000, 0.0001856900000000, -0.0003890300000000 ] - [ 0.0004665100000000, 0.0000210600000000, -0.0002427800000000 ] - [ 0.0003901800000000, 0.0000094300000000, -0.0002131200000000 ] - [ 0.0003197600000000, 0.0001591900000000, -0.0003212200000000 ] - [ 0.0005781700000000, -0.0003168200000000, -0.0010195800000000 ] - [ -0.0006614600000000, -0.0004902400000000, 0.0011749700000000 ] - [ 0.0006523300000000, -0.0003241000000000, -0.0007606000000000 ] - [ 0.0004809700000000, -0.0003704200000000, 0.0001237100000000 ] - [ -0.0002174700000000, 0.0013658200000000, 0.0005808400000000 ] - [ 0.0006400500000000, 0.0003695200000000, -0.0006407000000000 ] - [ 0.0001331900000000, 0.0004094700000000, -0.0003106200000000 ] - [ -0.0000447700000000, 0.0004247700000000, -0.0001955900000000 ] - [ 0.0005509200000000, 0.0003869600000000, -0.0006509100000000 ] - [ 0.0004655000000000, 0.0001933900000000, 0.0001588500000000 ] - [ 0.0001330700000000, 0.0004192100000000, 0.0001240200000000 ] - [ -0.0003504200000000, 0.0003788400000000, 0.0005746000000000 ] - [ -0.0002816300000000, -0.0004649800000000, 0.0004201700000000 ] - [ 0.0001561500000000, -0.0004155400000000, 0.0001694300000000 ] - [ 0.0000892200000000, -0.0004219200000000, 0.0001303800000000 ] - [ -0.0001361600000000, -0.0004314500000000, 0.0003454200000000 ] - [ -0.2006483300000000, 0.0452684500000000, -0.1710483800000000 ] - [ 0.0003803300000000, -0.0005501200000000, 0.0001037100000000 ] - [ 0.0000215900000000, -0.0005332000000000, -0.0000216200000000 ] - [ -0.0004746200000000, -0.0004524100000000, -0.0002792900000000 ] - [ -0.0000006000000000, 0.0006102200000000, -0.0001308600000000 ] - [ -0.0001793800000000, 0.0002850300000000, 0.0000763100000000 ] - [ -0.0007642100000000, 0.0003658900000000, -0.0005535400000000 ] - [ 0.0000621600000000, 0.0005390400000000, 0.0000394200000000 ] - [ -0.0001406300000000, 0.0002018800000000, -0.0002843200000000 ] - [ 0.0007069100000000, 0.0005208000000000, 0.0004083400000000 ] - [ 0.0004066600000000, 0.0004543900000000, 0.0002364400000000 ] - [ 0.0001036800000000, 0.0004815000000000, 0.0001584300000000 ] - [ -0.0001196800000000, -0.0002735100000000, -0.0002012700000000 ] - [ 0.0004578900000000, -0.0005170100000000, 0.0002920000000000 ] - [ 0.0003561700000000, -0.0004834300000000, 0.0002280200000000 ] - [ 0.0001778100000000, -0.0004453700000000, 0.0002227900000000 ] - [ -0.0689296500000000, -0.1297846700000000, -0.0293577700000000 ] - [ 0.0007120700000000, 0.0001404900000000, -0.0001277000000000 ] - [ 0.0005136600000000, 0.0000772300000000, -0.0000429800000000 ] - [ 0.0002217200000000, 0.0000431900000000, 0.0000002200000000 ] - [ 0.0005858300000000, -0.0002805300000000, -0.0002424700000000 ] - [ 0.0002342600000000, 0.0000239600000000, -0.0000868800000000 ] - [ 0.0003670000000000, 0.0000096200000000, -0.0001093500000000 ] - [ 0.0004326400000000, -0.0001467900000000, 0.0000294200000000 ] - [ 0.0001692400000000, -0.0008772200000000, -0.0006431300000000 ] - [ 0.0000462200000000, 0.0003656200000000, -0.0002006600000000 ] - [ -0.0003601800000000, 0.0000246400000000, 0.0000226200000000 ] - [ -0.0003857300000000, -0.0002312800000000, 0.0001029700000000 ] - [ -0.0002522400000000, 0.0000893700000000, 0.0000039700000000 ] - [ -0.0005754600000000, 0.0000289800000000, 0.0003377000000000 ] - [ -0.0005794300000000, 0.0002568100000000, 0.0001870500000000 ] - [ -0.0002541300000000, 0.0000252500000000, -0.0000189500000000 ] - [ -0.0133558000000000, 0.0052189300000000, -0.0143206200000000 ] - [ -0.0010595000000000, -0.0003075000000000, 0.0004383200000000 ] - [ -0.0002275700000000, 0.0000545700000000, -0.0002812400000000 ] - [ -0.0000401200000000, 0.0002955100000000, 0.0003397900000000 ] - [ -0.0005334100000000, -0.0001331600000000, 0.0002255800000000 ] - [ 0.0007962600000000, 0.0011619700000000, -0.0010455900000000 ] - [ 0.0004531300000000, -0.0000961600000000, 0.0001080300000000 ] - [ -0.0003236500000000, -0.0001036400000000, -0.0000345000000000 ] - [ 0.0017976500000000, 0.0011234500000000, 0.0008368700000000 ] - [ -0.0005966900000000, -0.0001705100000000, -0.0000325500000000 ] - [ -0.0003320400000000, -0.0000491200000000, 0.0000783800000000 ] - [ 0.0006131500000000, 0.0001795600000000, -0.0001797400000000 ] - [ -0.0000450700000000, 0.0008595200000000, 0.0002264300000000 ] - [ -0.0001141300000000, -0.0000782800000000, -0.0000511100000000 ] - [ -0.0000603200000000, 0.0000155500000000, -0.0000074900000000 ] - [ 0.0000833200000000, 0.0000670200000000, -0.0000847000000000 ] - [ -0.0011093600000000, 0.0005595700000000, 0.0009852100000000 ] - [ -0.0040307700000000, -0.0004020000000000, -0.0028926100000000 ] - [ -0.0002649900000000, 0.0004008900000000, 0.0005096200000000 ] - [ -0.0003651300000000, 0.0002775800000000, -0.0005953600000000 ] - [ 0.0012054800000000, -0.0011637600000000, -0.0004827700000000 ] - [ -0.0008013700000000, -0.0004134800000000, 0.0001865300000000 ] - [ -0.0003441400000000, -0.0003379900000000, -0.0000283500000000 ] - [ 0.0003317000000000, -0.0008398200000000, 0.0003988000000000 ] - [ 0.0005151800000000, -0.0048487700000000, 0.0029545400000000 ] - [ -0.0006556900000000, -0.0001323400000000, 0.0000819900000000 ] - [ -0.0001460900000000, -0.0003377000000000, -0.0000273500000000 ] - [ 0.0003899100000000, -0.0004368200000000, -0.0002351800000000 ] - [ 0.0002661600000000, 0.0001279300000000, 0.0001045800000000 ] - [ -0.0001170700000000, 0.0005403200000000, -0.0002077700000000 ] - [ -0.0000186500000000, 0.0004469900000000, 0.0001523300000000 ] - [ 0.0001794800000000, 0.0003788300000000, -0.0001769000000000 ] - [ 0.0006173700000000, 0.0005314300000000, 0.0020904000000000 ] - [ -0.0008197700000000, 0.0005907100000000, -0.0007604300000000 ] - [ -0.0003290800000000, 0.0005872200000000, 0.0000266500000000 ] - [ 0.0014021500000000, 0.0007078600000000, -0.0011694300000000 ] - [ -0.0002528200000000, -0.0026554500000000, 0.0001467100000000 ] - [ -0.0008536200000000, -0.0002376300000000, -0.0009739800000000 ] - [ 0.0002319700000000, -0.0006548100000000, -0.0002838900000000 ] - [ 0.0003709700000000, -0.0007700700000000, -0.0005441400000000 ] - [ -0.0005170300000000, -0.0003023100000000, 0.0007026900000000 ] - [ -0.0000987000000000, -0.0013839300000000, -0.0003606700000000 ] - [ -0.0007184800000000, -0.0006904700000000, 0.0011519700000000 ] - [ -0.0009741800000000, 0.0000600300000000, -0.0001310200000000 ] - [ 0.0002506200000000, 0.0005650100000000, 0.0004538400000000 ] - [ -0.0007514000000000, 0.0006744600000000, 0.0003886200000000 ] - [ -0.0005751400000000, 0.0006671400000000, 0.0003904700000000 ] - [ -0.0001604800000000, 0.0005772600000000, 0.0004191100000000 ] - [ 0.2963877600000000, 0.0823091500000000, 0.2079412400000000 ] - [ -0.0009733600000000, 0.0004533200000000, -0.0004856600000000 ] - [ -0.0003806100000000, 0.0004512300000000, -0.0005338500000000 ] - [ 0.0004443800000000, 0.0004819600000000, -0.0006031500000000 ] - [ -0.0002167700000000, -0.0006015600000000, -0.0003541600000000 ] - [ -0.0001134200000000, -0.0002161800000000, -0.0008355400000000 ] - [ -0.0002150100000000, -0.0001775900000000, 0.0010010800000000 ] - [ -0.0001130800000000, -0.0008763200000000, -0.0007659600000000 ] - [ 0.0000341700000000, 0.0003883600000000, 0.0011378200000000 ] - [ -0.0006418000000000, -0.0008499500000000, 0.0004576900000000 ] - [ -0.0001220400000000, -0.0005109600000000, 0.0004560700000000 ] - [ 0.0000836700000000, -0.0003021300000000, 0.0004518000000000 ] - [ 0.0006666700000000, 0.0001148300000000, 0.0007295300000000 ] - [ -0.0003861300000000, 0.0004982700000000, 0.0004696100000000 ] - [ -0.0002746900000000, 0.0004207100000000, 0.0005142700000000 ] - [ 0.0003298200000000, 0.0005779000000000, 0.0001627500000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020348500000000, 0.0040265400000000, 0.0014083900000000 ] - [ -0.0005988900000000, 0.0007229100000000, -0.0006696800000000 ] - [ -0.0000907100000000, 0.0001628500000000, -0.0000213800000000 ] - [ 0.0000660900000000, 0.0002858500000000, -0.0000062200000000 ] - [ 0.0012005900000000, 0.0037191600000000, -0.0014253000000000 ] - [ 0.0000989600000000, 0.0001873100000000, -0.0000231500000000 ] - [ 0.0001195800000000, 0.0001216500000000, -0.0002802400000000 ] - [ -0.0004325300000000, 0.0008370000000000, -0.0005366200000000 ] - [ 0.0002021800000000, -0.0004485300000000, 0.0001261000000000 ] - [ -0.0007234900000000, -0.0020349500000000, -0.0005208200000000 ] - [ 0.0000397900000000, -0.0005374700000000, 0.0004147900000000 ] - [ 0.0000557300000000, -0.0002255600000000, 0.0001628600000000 ] - [ 0.0011940800000000, -0.0011176700000000, 0.0008097400000000 ] - [ -0.0004815300000000, -0.0001759400000000, 0.0001414500000000 ] - [ -0.0000342200000000, -0.0000192500000000, 0.0001701000000000 ] - [ 0.0004732500000000, -0.0004974600000000, -0.0007571500000000 ] - [ -0.0005365500000000, 0.0015011400000000, 0.0015204000000000 ] - [ -0.0002776100000000, 0.0000268400000000, 0.0002500400000000 ] - [ -0.0003552000000000, 0.0000595900000000, 0.0002590600000000 ] - [ -0.0004713600000000, 0.0002294800000000, 0.0001864900000000 ] - [ -0.0001689700000000, -0.0008381500000000, 0.0010217500000000 ] - [ -0.0003179500000000, -0.0002763400000000, 0.0003464400000000 ] - [ -0.0003276500000000, -0.0000835300000000, 0.0002371400000000 ] - [ -0.0003686500000000, -0.0000836100000000, 0.0002410500000000 ] - [ 0.0005220500000000, 0.0001312400000000, -0.0002286300000000 ] - [ 0.0002412400000000, 0.0001720800000000, -0.0001903900000000 ] - [ 0.0003577500000000, 0.0004276600000000, -0.0000875000000000 ] - [ 0.0003903200000000, -0.0000115400000000, -0.0001564900000000 ] - [ 0.0002897800000000, -0.0008753800000000, 0.0002669100000000 ] - [ 0.0003505200000000, -0.0000459300000000, -0.0002170800000000 ] - [ 0.0003513900000000, -0.0000075000000000, -0.0002221000000000 ] - [ 0.0003203000000000, -0.0001684600000000, -0.0001448900000000 ] - [ 0.0000583000000000, -0.0003956400000000, -0.0003238400000000 ] - [ 0.0000041700000000, -0.0002927600000000, -0.0003015100000000 ] - [ -0.0000098900000000, -0.0004988700000000, -0.0003034500000000 ] - [ 0.0001343000000000, -0.0004040400000000, -0.0001680200000000 ] - [ -0.0007694400000000, -0.0009492200000000, -0.0007403100000000 ] - [ 0.0002820900000000, 0.0003689900000000, -0.0003954900000000 ] - [ 0.0000413000000000, 0.0004192000000000, -0.0002502800000000 ] - [ -0.0000488500000000, 0.0004359000000000, -0.0001461000000000 ] - [ -0.0013185600000000, 0.0005492300000000, 0.0022209600000000 ] - [ 0.0000264400000000, 0.0003850400000000, 0.0002387300000000 ] - [ 0.0000026000000000, 0.0004379300000000, 0.0001692600000000 ] - [ -0.0001731400000000, 0.0004166100000000, 0.0001484700000000 ] - [ -0.0000686600000000, -0.0005937600000000, 0.0002676700000000 ] - [ -0.0000154500000000, -0.0004604700000000, 0.0002213700000000 ] - [ -0.0000349300000000, -0.0004235400000000, 0.0002542900000000 ] - [ -0.0000096200000000, -0.0004426400000000, 0.0002083200000000 ] - [ -0.0134872800000000, 0.0474398400000000, -0.0172666400000000 ] - [ -0.0002346400000000, -0.0004405300000000, -0.0002078900000000 ] - [ -0.0002451800000000, -0.0004722800000000, -0.0001703100000000 ] - [ -0.0002125000000000, -0.0004535600000000, -0.0001278800000000 ] - [ -0.0003654000000000, 0.0004960700000000, -0.0001703500000000 ] - [ 0.0003220500000000, 0.0007373800000000, 0.0002877700000000 ] - [ -0.0003765600000000, 0.0005064500000000, -0.0003243700000000 ] - [ -0.0002861900000000, 0.0004693600000000, -0.0002371100000000 ] - [ 0.0011357800000000, 0.0000556400000000, 0.0005831800000000 ] - [ 0.0001357500000000, 0.0005011800000000, 0.0000599700000000 ] - [ 0.0002005100000000, 0.0004792500000000, 0.0002000400000000 ] - [ 0.0003594600000000, 0.0004204200000000, 0.0002635000000000 ] - [ 0.0001849700000000, -0.0009993400000000, 0.0002171100000000 ] - [ 0.0001758200000000, -0.0005187400000000, 0.0001034600000000 ] - [ 0.0002546200000000, -0.0004931500000000, 0.0001904600000000 ] - [ 0.0001927300000000, -0.0004994900000000, 0.0001759600000000 ] - [ 0.1061346800000000, 0.3733292300000000, 0.0362295600000000 ] - [ 0.0003885200000000, 0.0001273500000000, -0.0000543200000000 ] - [ 0.0003775100000000, 0.0000977700000000, -0.0000341500000000 ] - [ 0.0003805000000000, 0.0001817000000000, -0.0000172200000000 ] - [ 0.0004551500000000, -0.0002737500000000, -0.0001058100000000 ] - [ 0.0001259000000000, -0.0001687100000000, -0.0001947500000000 ] - [ 0.0003417300000000, -0.0001925200000000, 0.0000131700000000 ] - [ 0.0004323900000000, -0.0001874000000000, 0.0000131900000000 ] - [ -0.0000109200000000, 0.0000334500000000, -0.0000394200000000 ] - [ -0.0006816000000000, 0.0001271000000000, -0.0001090900000000 ] - [ -0.0003983500000000, -0.0000414900000000, 0.0000695800000000 ] - [ -0.0003707900000000, -0.0000130000000000, 0.0001211800000000 ] - [ -0.0003586500000000, 0.0000440600000000, 0.0000755900000000 ] - [ -0.0004402100000000, -0.0002112100000000, 0.0003616700000000 ] - [ -0.0000098200000000, -0.0005170600000000, -0.0004299900000000 ] - [ -0.0003496000000000, 0.0000318300000000, 0.0000190000000000 ] - [ -0.0039055900000000, -0.0023426300000000, -0.0032204800000000 ] - [ -0.0001383500000000, -0.0005117700000000, 0.0001308600000000 ] - [ -0.0000115200000000, -0.0000295000000000, -0.0000273700000000 ] - [ 0.0001124600000000, -0.0005327800000000, -0.0003553600000000 ] - [ 0.0000536700000000, -0.0000204300000000, -0.0000063800000000 ] - [ -0.0010746300000000, 0.0019849300000000, -0.0014496200000000 ] - [ -0.0000374800000000, -0.0000008300000000, 0.0002194900000000 ] - [ -0.0000005500000000, -0.0000339100000000, 0.0000409000000000 ] - [ -0.0013511100000000, 0.0044286000000000, 0.0052818700000000 ] - [ 0.0000659900000000, -0.0000918200000000, 0.0000546500000000 ] - [ 0.0000492400000000, -0.0000742400000000, -0.0000165600000000 ] - [ -0.0000869000000000, -0.0001001100000000, -0.0002644700000000 ] - [ 0.0000513700000000, 0.0010297400000000, 0.0000635500000000 ] - [ 0.0000874900000000, 0.0003721700000000, 0.0000685800000000 ] - [ -0.0000508900000000, 0.0002022700000000, -0.0000099200000000 ] - [ 0.0000381900000000, 0.0001762500000000, -0.0000493900000000 ] - [ -0.0001147100000000, -0.0000564500000000, 0.0001732300000000 ] - [ 0.0002369300000000, -0.0002657200000000, 0.0000379800000000 ] - [ -0.0000830800000000, 0.0001390100000000, -0.0000395700000000 ] - [ -0.0001152300000000, 0.0002935600000000, -0.0000888900000000 ] - [ 0.0003485500000000, 0.0022263800000000, 0.0021151700000000 ] - [ -0.0002125600000000, -0.0003421000000000, 0.0001574200000000 ] - [ -0.0001261800000000, -0.0003733200000000, 0.0000177500000000 ] - [ -0.0001174600000000, -0.0001938900000000, -0.0002345700000000 ] - [ 0.0037679300000000, 0.0072739000000000, -0.0065679800000000 ] - [ 0.0000108200000000, -0.0003782900000000, -0.0000320400000000 ] - [ 0.0000654200000000, -0.0004084600000000, -0.0000283400000000 ] - [ 0.0002060100000000, -0.0004488700000000, 0.0000805500000000 ] - [ 0.0000582600000000, 0.0011058400000000, -0.0003608400000000 ] - [ 0.0001116800000000, 0.0006613400000000, -0.0000808100000000 ] - [ 0.0001140200000000, 0.0005457900000000, -0.0000405300000000 ] - [ 0.0001374800000000, 0.0005990900000000, -0.0000196500000000 ] - [ 0.0005293600000000, -0.0006809500000000, -0.0004569500000000 ] - [ 0.0001448100000000, 0.0005460600000000, -0.0004148800000000 ] - [ 0.0003255100000000, 0.0006011800000000, -0.0003656200000000 ] - [ 0.0002841400000000, 0.0002475000000000, -0.0004416000000000 ] - [ 0.0021226200000000, 0.0014612300000000, -0.0013200000000000 ] - [ -0.0002753000000000, -0.0004267500000000, -0.0008748100000000 ] - [ 0.0003233000000000, -0.0006429400000000, -0.0003857000000000 ] - [ 0.0004374400000000, -0.0006543800000000, -0.0004651000000000 ] - [ -0.0005881000000000, -0.0006932300000000, 0.0004446900000000 ] - [ -0.0000529900000000, -0.0007309900000000, 0.0004709700000000 ] - [ 0.0006467800000000, -0.0007813900000000, -0.0010413400000000 ] - [ -0.0004937200000000, -0.0006356100000000, 0.0002802700000000 ] - [ -0.0003686000000000, 0.0017170500000000, 0.0001687400000000 ] - [ -0.0003630500000000, 0.0007787600000000, 0.0004095300000000 ] - [ -0.0003584400000000, 0.0006984300000000, 0.0003796500000000 ] - [ -0.0002989300000000, 0.0009045200000000, 0.0004296700000000 ] - [ -0.0902045600000000, -0.4411040000000000, -0.0157525000000000 ] - [ 0.0000084000000000, 0.0003342800000000, -0.0004676000000000 ] - [ 0.0000090900000000, 0.0003998600000000, -0.0004840900000000 ] - [ -0.0000235600000000, 0.0003071300000000, -0.0005170500000000 ] - [ 0.0002795900000000, -0.0003083600000000, -0.0006459600000000 ] - [ -0.0004197200000000, -0.0005519000000000, -0.0008634600000000 ] - [ -0.0001425300000000, -0.0003078900000000, 0.0002707800000000 ] - [ 0.0002446300000000, -0.0005483700000000, -0.0003117100000000 ] - [ -0.0008494100000000, -0.0002113700000000, 0.0002660800000000 ] - [ 0.0003932600000000, -0.0004565200000000, 0.0006918600000000 ] - [ 0.0000520000000000, -0.0004379700000000, 0.0004036200000000 ] - [ -0.0001568000000000, -0.0004823000000000, 0.0004625700000000 ] - [ -0.0003409200000000, 0.0014801700000000, 0.0005147800000000 ] - [ 0.0000404400000000, 0.0005337300000000, 0.0005306900000000 ] - [ -0.0000378300000000, 0.0004946500000000, 0.0004575700000000 ] - [ 0.0001192900000000, 0.0010047200000000, 0.0004074100000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021132800000000, -0.0038523000000000, -0.0017385600000000 ] - [ 0.0005481700000000, -0.0005550900000000, 0.0003728000000000 ] - [ 0.0000498500000000, 0.0000187800000000, -0.0002919100000000 ] - [ -0.0001053500000000, -0.0001015100000000, -0.0003098500000000 ] - [ -0.0011970000000000, -0.0038504200000000, 0.0010801100000000 ] - [ -0.0001522700000000, -0.0003637400000000, -0.0002895100000000 ] - [ -0.0001635300000000, -0.0003041900000000, -0.0000274200000000 ] - [ 0.0004025800000000, -0.0010327900000000, 0.0002115300000000 ] - [ -0.0001643600000000, 0.0002688800000000, 0.0001864000000000 ] - [ 0.0007668500000000, 0.0018563200000000, 0.0008391800000000 ] - [ 0.0000020000000000, 0.0003586800000000, -0.0001113200000000 ] - [ -0.0000184900000000, 0.0000463500000000, 0.0001421500000000 ] - [ -0.0011535200000000, 0.0013197400000000, -0.0004984500000000 ] - [ 0.0005210800000000, 0.0003591800000000, 0.0001699800000000 ] - [ 0.0000711000000000, 0.0002009700000000, 0.0001345200000000 ] - [ -0.0004318800000000, 0.0006806400000000, 0.0010639400000000 ] - [ -0.0001618200000000, -0.0014524200000000, -0.0010399400000000 ] - [ -0.0004281100000000, 0.0000272400000000, 0.0002338000000000 ] - [ -0.0003467200000000, -0.0000071600000000, 0.0002237100000000 ] - [ -0.0002297700000000, -0.0001806600000000, 0.0002939500000000 ] - [ -0.0005379100000000, 0.0007871900000000, -0.0005398400000000 ] - [ -0.0003835700000000, 0.0002271400000000, 0.0001363600000000 ] - [ -0.0003743900000000, 0.0000321500000000, 0.0002463900000000 ] - [ -0.0003332300000000, 0.0000321600000000, 0.0002420900000000 ] - [ 0.0001795900000000, -0.0001813700000000, -0.0002539200000000 ] - [ 0.0004613800000000, -0.0002331900000000, -0.0002995600000000 ] - [ 0.0003443600000000, -0.0004829600000000, -0.0003971100000000 ] - [ 0.0003084700000000, -0.0000398000000000, -0.0003332200000000 ] - [ 0.0004124400000000, 0.0009305400000000, -0.0007503100000000 ] - [ 0.0003509300000000, 0.0000990600000000, -0.0002659100000000 ] - [ 0.0003501000000000, 0.0000597300000000, -0.0002615100000000 ] - [ 0.0003815100000000, 0.0002211000000000, -0.0003389800000000 ] - [ 0.0000184200000000, -0.0004396700000000, -0.0001930400000000 ] - [ 0.0000761900000000, -0.0005411000000000, -0.0002325600000000 ] - [ 0.0000916400000000, -0.0003362800000000, -0.0002174100000000 ] - [ -0.0000593500000000, -0.0004315100000000, -0.0003544300000000 ] - [ 0.0008484700000000, 0.0017924500000000, 0.0002309000000000 ] - [ -0.0002072400000000, 0.0004681300000000, -0.0001203500000000 ] - [ 0.0000378400000000, 0.0004172900000000, -0.0002702200000000 ] - [ 0.0001292200000000, 0.0004003800000000, -0.0003757000000000 ] - [ 0.0012459900000000, 0.0002858700000000, -0.0017094000000000 ] - [ -0.0001106000000000, 0.0004534800000000, 0.0002824800000000 ] - [ -0.0000813000000000, 0.0003985600000000, 0.0003494900000000 ] - [ 0.0000979100000000, 0.0004206300000000, 0.0003659300000000 ] - [ -0.0000104000000000, -0.0002406500000000, 0.0002534000000000 ] - [ -0.0000644200000000, -0.0003743100000000, 0.0002995400000000 ] - [ -0.0000427200000000, -0.0004118100000000, 0.0002633100000000 ] - [ -0.0000675100000000, -0.0003924300000000, 0.0003086300000000 ] - [ 0.0151562600000000, -0.0488809500000000, 0.0186319700000000 ] - [ -0.0002535400000000, -0.0005198900000000, -0.0001424200000000 ] - [ -0.0002431500000000, -0.0004874800000000, -0.0001829800000000 ] - [ -0.0002739300000000, -0.0005066400000000, -0.0002251800000000 ] - [ -0.0001200700000000, 0.0004656700000000, -0.0001806400000000 ] - [ -0.0008097000000000, 0.0002259300000000, -0.0006412200000000 ] - [ -0.0001077000000000, 0.0004551500000000, -0.0000258700000000 ] - [ -0.0002018500000000, 0.0004922400000000, -0.0001155200000000 ] - [ -0.0006443700000000, 0.0009026600000000, -0.0002304100000000 ] - [ 0.0003484900000000, 0.0004595800000000, 0.0002919500000000 ] - [ 0.0002850200000000, 0.0004828700000000, 0.0001503500000000 ] - [ 0.0001250400000000, 0.0005422400000000, 0.0000856300000000 ] - [ 0.0003031800000000, 0.0000417900000000, 0.0001352200000000 ] - [ 0.0003097200000000, -0.0004410700000000, 0.0002479700000000 ] - [ 0.0002307500000000, -0.0004671900000000, 0.0001602000000000 ] - [ 0.0002934700000000, -0.0004610300000000, 0.0001746700000000 ] - [ -0.0944749100000000, -0.3484756500000000, -0.0319534300000000 ] - [ 0.0003382100000000, 0.0000257100000000, -0.0000382000000000 ] - [ 0.0003501600000000, 0.0000563300000000, -0.0000610500000000 ] - [ 0.0003489200000000, -0.0000276800000000, -0.0000791700000000 ] - [ 0.0002728400000000, 0.0001222700000000, 0.0000122500000000 ] - [ 0.0006042000000000, 0.0000155600000000, 0.0001015200000000 ] - [ 0.0003867600000000, 0.0000407200000000, -0.0001080500000000 ] - [ 0.0002952500000000, 0.0000362400000000, -0.0001082500000000 ] - [ -0.0007170400000000, -0.0001812800000000, 0.0001430600000000 ] - [ -0.0000481600000000, -0.0002857800000000, 0.0002095900000000 ] - [ -0.0003300200000000, -0.0001114500000000, 0.0000233800000000 ] - [ -0.0003573500000000, -0.0001393200000000, -0.0000288200000000 ] - [ -0.0003703100000000, 0.0001100600000000, 0.0000188400000000 ] - [ -0.0002874500000000, 0.0003667800000000, -0.0002693300000000 ] - [ -0.0007210400000000, 0.0006748800000000, 0.0005260600000000 ] - [ -0.0003794100000000, 0.0001226100000000, 0.0000758100000000 ] - [ 0.0039857300000000, 0.0023726700000000, 0.0033228600000000 ] - [ 0.0001049900000000, 0.0006173900000000, -0.0001327600000000 ] - [ -0.0000234500000000, 0.0001317400000000, 0.0000343400000000 ] - [ -0.0001512700000000, 0.0006369700000000, 0.0003630600000000 ] - [ -0.0000882200000000, -0.0000808200000000, 0.0000067600000000 ] - [ 0.0010475500000000, -0.0021102100000000, 0.0014666300000000 ] - [ -0.0000014700000000, -0.0000992200000000, -0.0002158300000000 ] - [ -0.0000344400000000, -0.0000663100000000, -0.0000368600000000 ] - [ 0.0013913900000000, -0.0045173500000000, -0.0052830500000000 ] - [ -0.0000259500000000, -0.0000064000000000, -0.0000581800000000 ] - [ -0.0000112800000000, -0.0000263700000000, 0.0000144900000000 ] - [ 0.0001214100000000, -0.0000027100000000, 0.0002672700000000 ] - [ -0.0000163700000000, -0.0009322000000000, -0.0000686200000000 ] - [ -0.0000501900000000, -0.0002709100000000, -0.0000733400000000 ] - [ 0.0000874100000000, -0.0001002800000000, 0.0000083100000000 ] - [ -0.0000022100000000, -0.0000744500000000, 0.0000487100000000 ] - [ -0.0000837900000000, 0.0008368600000000, -0.0000713500000000 ] - [ -0.0003936000000000, 0.0010543200000000, 0.0000906900000000 ] - [ -0.0001167400000000, 0.0006423000000000, 0.0001507700000000 ] - [ -0.0000805100000000, 0.0004878800000000, 0.0002037000000000 ] - [ -0.0005561300000000, -0.0030313400000000, -0.0020366000000000 ] - [ 0.0000175400000000, -0.0004362100000000, -0.0000514300000000 ] - [ -0.0000711000000000, -0.0004056100000000, 0.0000920500000000 ] - [ -0.0000827300000000, -0.0005837300000000, 0.0003435800000000 ] - [ -0.0035717700000000, -0.0080654700000000, 0.0064740400000000 ] - [ 0.0001925500000000, -0.0004021900000000, -0.0000792100000000 ] - [ 0.0001338200000000, -0.0003695500000000, -0.0000780200000000 ] - [ -0.0000097400000000, -0.0003275300000000, -0.0001831900000000 ] - [ 0.0001398200000000, -0.0003282100000000, 0.0002530900000000 ] - [ 0.0000874900000000, 0.0001171900000000, -0.0000272000000000 ] - [ 0.0000836400000000, 0.0002332900000000, -0.0000664800000000 ] - [ 0.0000602900000000, 0.0001796400000000, -0.0000859200000000 ] - [ 0.0001590800000000, 0.0020031800000000, -0.0003063700000000 ] - [ 0.0005647800000000, 0.0007693700000000, -0.0003549900000000 ] - [ 0.0003780600000000, 0.0007133400000000, -0.0004063200000000 ] - [ 0.0004112300000000, 0.0010628300000000, -0.0003163200000000 ] - [ -0.0014472600000000, -0.0027997800000000, 0.0005488500000000 ] - [ 0.0009808300000000, -0.0008902400000000, 0.0001029000000000 ] - [ 0.0003758400000000, -0.0006653300000000, -0.0003837400000000 ] - [ 0.0002616700000000, -0.0006536900000000, -0.0003023000000000 ] - [ -0.0001125500000000, -0.0006199700000000, 0.0003272700000000 ] - [ -0.0006508300000000, -0.0005757400000000, 0.0003084700000000 ] - [ -0.0013506300000000, -0.0005252800000000, 0.0018179200000000 ] - [ -0.0001982600000000, -0.0006790500000000, 0.0004967100000000 ] - [ -0.0003319600000000, -0.0004094300000000, 0.0005987200000000 ] - [ -0.0003355800000000, 0.0005327300000000, 0.0003602100000000 ] - [ -0.0003426600000000, 0.0006175900000000, 0.0003948400000000 ] - [ -0.0004039000000000, 0.0004113800000000, 0.0003453200000000 ] - [ 0.0768749500000000, 0.4177503600000000, 0.0086289100000000 ] - [ 0.0000334700000000, 0.0005476700000000, -0.0004914000000000 ] - [ 0.0000305300000000, 0.0004818800000000, -0.0004696000000000 ] - [ 0.0000591800000000, 0.0005745100000000, -0.0004341900000000 ] - [ -0.0002446300000000, -0.0005728700000000, -0.0003076700000000 ] - [ 0.0004587500000000, -0.0003310900000000, -0.0000886200000000 ] - [ 0.0001797300000000, -0.0005728000000000, -0.0012327200000000 ] - [ -0.0002065200000000, -0.0003278100000000, -0.0006432300000000 ] - [ 0.0008092600000000, -0.0006713800000000, 0.0006813500000000 ] - [ -0.0004295900000000, -0.0004187600000000, 0.0002591500000000 ] - [ -0.0000894500000000, -0.0004416600000000, 0.0005548800000000 ] - [ 0.0001201100000000, -0.0003980900000000, 0.0004968000000000 ] - [ 0.0003036600000000, -0.0006050200000000, 0.0004414900000000 ] - [ -0.0000764600000000, 0.0003470000000000, 0.0004249100000000 ] - [ 0.0000019000000000, 0.0003868600000000, 0.0004983900000000 ] - [ -0.0001575400000000, -0.0001250600000000, 0.0005499500000000 ]- atom: 129 displacement: [ -0.0068667467056269, 0.0000000000000000, 0.0072696485252564 ] forces: - [ -0.0037886400000000, 0.0003676200000000, 0.0040722500000000 ] - [ 0.0008645300000000, 0.0003995900000000, 0.0008514700000000 ] - [ 0.0005598100000000, 0.0002679100000000, -0.0008827600000000 ] - [ -0.0006362300000000, 0.0000430600000000, -0.0008858200000000 ] - [ -0.0044613800000000, -0.0002480000000000, 0.0060714700000000 ] - [ 0.0008364100000000, -0.0000594700000000, 0.0003085000000000 ] - [ 0.0007137400000000, -0.0001548100000000, -0.0006657000000000 ] - [ -0.0014466800000000, -0.0001864400000000, -0.0011510800000000 ] - [ 0.0006887200000000, -0.0002931600000000, 0.0005233400000000 ] - [ -0.0009276700000000, -0.0000904900000000, 0.0021198300000000 ] - [ -0.0002427300000000, 0.0000173000000000, -0.0007354600000000 ] - [ 0.0002492200000000, -0.0001082700000000, -0.0002122000000000 ] - [ -0.0015465200000000, 0.0000887400000000, 0.0002954400000000 ] - [ 0.0009477800000000, 0.0002990200000000, 0.0000567400000000 ] - [ 0.0001865100000000, 0.0000872000000000, 0.0001384200000000 ] - [ 0.0001958100000000, -0.0005035000000000, -0.0009389900000000 ] - [ -0.0000859100000000, 0.0014876200000000, -0.0017827100000000 ] - [ -0.0002576200000000, 0.0000574700000000, 0.0002763800000000 ] - [ -0.0002612600000000, -0.0001305400000000, 0.0001519200000000 ] - [ -0.0004651200000000, -0.0001492600000000, -0.0000730600000000 ] - [ -0.0003409300000000, 0.0002821600000000, -0.0000071800000000 ] - [ -0.0004124500000000, -0.0003612100000000, 0.0005610600000000 ] - [ -0.0003244400000000, 0.0000347800000000, 0.0000996600000000 ] - [ -0.0003561100000000, 0.0000957700000000, 0.0000978400000000 ] - [ 0.0005322700000000, -0.0004150300000000, -0.0004852500000000 ] - [ 0.0001812100000000, 0.0004662300000000, 0.0001027100000000 ] - [ 0.0003992700000000, -0.0001521000000000, -0.0004479100000000 ] - [ 0.0004038900000000, -0.0001257100000000, -0.0002511700000000 ] - [ 0.0002563100000000, -0.0002554400000000, 0.0001092500000000 ] - [ 0.0004398200000000, -0.0000485700000000, -0.0001529000000000 ] - [ 0.0003815500000000, 0.0000732600000000, -0.0003008000000000 ] - [ 0.0003440100000000, 0.0004535100000000, -0.0005934900000000 ] - [ 0.0005150700000000, -0.0003581900000000, -0.0008773600000000 ] - [ -0.0008092800000000, -0.0004665000000000, 0.0004855700000000 ] - [ 0.0012857200000000, -0.0003221000000000, -0.0013295400000000 ] - [ 0.0001730900000000, -0.0003985800000000, -0.0003817000000000 ] - [ -0.0006443600000000, 0.0008909100000000, 0.0010389900000000 ] - [ 0.0004845800000000, 0.0003696100000000, -0.0003742900000000 ] - [ 0.0001519400000000, 0.0004056700000000, -0.0004324800000000 ] - [ 0.0002416300000000, 0.0003851800000000, -0.0006781300000000 ] - [ 0.0006685100000000, 0.0003761300000000, -0.0008484800000000 ] - [ 0.0000034200000000, 0.0004075100000000, 0.0002669300000000 ] - [ 0.0002075900000000, 0.0004209100000000, 0.0000002900000000 ] - [ -0.0003072600000000, 0.0003910400000000, 0.0002641100000000 ] - [ -0.0003484000000000, -0.0004851200000000, 0.0007804900000000 ] - [ 0.0000311000000000, -0.0004160500000000, 0.0003749300000000 ] - [ 0.0001024300000000, -0.0004276200000000, 0.0000317300000000 ] - [ 0.0000461800000000, -0.0004496900000000, 0.0000173100000000 ] - [ -0.0184822500000000, -0.0023959500000000, 0.0043741500000000 ] - [ 0.0002757300000000, -0.0005693200000000, 0.0002293100000000 ] - [ -0.0001633000000000, -0.0004826500000000, -0.0002177600000000 ] - [ -0.0006911400000000, -0.0004207000000000, -0.0006407200000000 ] - [ 0.0002408800000000, 0.0005747000000000, 0.0002075100000000 ] - [ -0.0004089200000000, 0.0004145100000000, -0.0001242300000000 ] - [ -0.0006268700000000, 0.0003128700000000, -0.0005841000000000 ] - [ -0.0002172100000000, 0.0004846000000000, -0.0002117600000000 ] - [ 0.0009401600000000, -0.0000431100000000, 0.0008078100000000 ] - [ 0.0005641900000000, 0.0004411400000000, 0.0004717800000000 ] - [ 0.0003023000000000, 0.0004903000000000, 0.0000989000000000 ] - [ -0.0001022000000000, 0.0005471000000000, -0.0001485900000000 ] - [ 0.0001372600000000, -0.0002126400000000, -0.0000566800000000 ] - [ 0.0003765300000000, -0.0004802800000000, 0.0002608300000000 ] - [ 0.0003647600000000, -0.0004778200000000, 0.0002099200000000 ] - [ -0.0000074100000000, -0.0004527000000000, 0.0000440400000000 ] - [ -0.0224849700000000, -0.0477351500000000, 0.0017102900000000 ] - [ 0.0006157700000000, 0.0000728800000000, 0.0000973900000000 ] - [ 0.0004479900000000, 0.0000957300000000, -0.0001629100000000 ] - [ 0.0002908300000000, 0.0000522000000000, -0.0002592200000000 ] - [ 0.0005606200000000, -0.0002893200000000, -0.0002149200000000 ] - [ 0.0002396600000000, -0.0001135900000000, -0.0000757200000000 ] - [ 0.0003742000000000, 0.0001858000000000, -0.0001780900000000 ] - [ 0.0003531500000000, -0.0000471900000000, -0.0000067200000000 ] - [ -0.0000850800000000, -0.0003478600000000, 0.0004142400000000 ] - [ -0.0000815400000000, 0.0000057100000000, 0.0002775100000000 ] - [ -0.0003532500000000, 0.0000629500000000, -0.0001423700000000 ] - [ -0.0002666200000000, -0.0002077700000000, -0.0002161100000000 ] - [ -0.0002792500000000, 0.0000724200000000, 0.0000253500000000 ] - [ -0.0004787700000000, 0.0001170500000000, 0.0002433500000000 ] - [ -0.0004341600000000, 0.0000921000000000, -0.0000487000000000 ] - [ -0.0002900600000000, 0.0000475700000000, -0.0000248400000000 ] - [ 0.0011316900000000, 0.0004792800000000, -0.0035275200000000 ] - [ -0.0009639800000000, -0.0002688800000000, 0.0001308200000000 ] - [ -0.0000550800000000, 0.0000565500000000, 0.0000369200000000 ] - [ -0.0003968300000000, 0.0006340200000000, 0.0012481900000000 ] - [ -0.0004818100000000, -0.0001574800000000, -0.0002045200000000 ] - [ 0.0012763300000000, -0.0004120300000000, -0.0011485500000000 ] - [ 0.0001992600000000, 0.0000396900000000, 0.0004641300000000 ] - [ -0.0001799900000000, -0.0000453400000000, 0.0002067500000000 ] - [ 0.0002747200000000, 0.0050157600000000, 0.0028801100000000 ] - [ -0.0003557000000000, -0.0000277200000000, -0.0001424200000000 ] - [ -0.0001989700000000, -0.0001006500000000, 0.0001961400000000 ] - [ 0.0003846400000000, -0.0001439900000000, 0.0004021200000000 ] - [ -0.0001210300000000, 0.0007102700000000, -0.0000959300000000 ] - [ 0.0000332600000000, -0.0000311300000000, -0.0002512000000000 ] - [ -0.0001929300000000, 0.0000217000000000, 0.0002202800000000 ] - [ 0.0001683100000000, 0.0000425900000000, 0.0001654900000000 ] - [ -0.0016008800000000, 0.0006518300000000, 0.0001191900000000 ] - [ -0.0006301300000000, 0.0000093500000000, -0.0016927900000000 ] - [ -0.0005193900000000, 0.0003959500000000, 0.0010508900000000 ] - [ -0.0001130900000000, 0.0003682500000000, 0.0002686800000000 ] - [ 0.0010532000000000, 0.0003958200000000, -0.0002159700000000 ] - [ -0.0005419200000000, -0.0003331300000000, 0.0000671900000000 ] - [ -0.0002892000000000, -0.0004025600000000, 0.0001312600000000 ] - [ 0.0004419800000000, -0.0013076100000000, 0.0012414100000000 ] - [ -0.0009797900000000, -0.0070216300000000, 0.0024938000000000 ] - [ -0.0001937800000000, -0.0003934200000000, -0.0002548300000000 ] - [ -0.0001322800000000, -0.0003151500000000, 0.0001841300000000 ] - [ 0.0004173300000000, -0.0002648000000000, 0.0003277100000000 ] - [ 0.0000818500000000, 0.0002842200000000, -0.0002660500000000 ] - [ 0.0000660100000000, 0.0005196300000000, -0.0002998200000000 ] - [ -0.0000173500000000, 0.0004176700000000, 0.0002396700000000 ] - [ 0.0001786900000000, 0.0003407900000000, 0.0002063300000000 ] - [ -0.0010341200000000, 0.0004487400000000, 0.0037054800000000 ] - [ 0.0000710900000000, 0.0006603100000000, -0.0003998200000000 ] - [ -0.0002349500000000, 0.0006588500000000, 0.0000482300000000 ] - [ 0.0017541700000000, 0.0008641700000000, -0.0000589800000000 ] - [ -0.0001289000000000, -0.0021625100000000, -0.0013344300000000 ] - [ -0.0007585900000000, -0.0003090900000000, -0.0014404600000000 ] - [ 0.0002912300000000, -0.0006557000000000, -0.0000510100000000 ] - [ 0.0003004000000000, -0.0006718300000000, 0.0001465900000000 ] - [ -0.0007741900000000, -0.0003149300000000, 0.0006587600000000 ] - [ 0.0000234200000000, -0.0009064500000000, 0.0001042400000000 ] - [ -0.0008722900000000, -0.0007009400000000, 0.0013228600000000 ] - [ -0.0003511400000000, -0.0005143400000000, 0.0004501700000000 ] - [ 0.0001285900000000, 0.0007732100000000, -0.0003908400000000 ] - [ -0.0006249300000000, 0.0006820300000000, 0.0001241500000000 ] - [ -0.0005048100000000, 0.0006445100000000, 0.0006058400000000 ] - [ -0.0002287800000000, 0.0004423500000000, 0.0009760900000000 ] - [ 0.0524034300000000, 0.0511367500000000, -0.0214512200000000 ] - [ -0.0006580400000000, 0.0004577800000000, -0.0008855100000000 ] - [ -0.0002131100000000, 0.0004425500000000, -0.0002493400000000 ] - [ 0.0004041800000000, 0.0004388400000000, 0.0001059000000000 ] - [ -0.0012246400000000, -0.0010983900000000, -0.0002558500000000 ] - [ 0.0001376100000000, -0.0004061300000000, -0.0005746500000000 ] - [ -0.0002303500000000, -0.0001377800000000, 0.0006793500000000 ] - [ 0.0001893300000000, -0.0004582500000000, -0.0005253800000000 ] - [ -0.0004666100000000, -0.0000228600000000, -0.0003024200000000 ] - [ -0.0004334700000000, -0.0005651600000000, 0.0000139000000000 ] - [ -0.0000722200000000, -0.0005435800000000, 0.0007258000000000 ] - [ 0.0000717900000000, -0.0003575700000000, 0.0010356700000000 ] - [ 0.0002680300000000, 0.0001921200000000, 0.0008827900000000 ] - [ -0.0002646600000000, 0.0004419300000000, 0.0005247100000000 ] - [ -0.0002207600000000, 0.0004412800000000, 0.0004748200000000 ] - [ 0.0004499600000000, 0.0005862900000000, 0.0003857900000000 ]- atom: 129 displacement: [ 0.0068667467056269, 0.0000000000000000, -0.0072696485252564 ] forces: - [ 0.0040372100000000, -0.0003884800000000, -0.0044782000000000 ] - [ -0.0009139600000000, -0.0002282900000000, -0.0011477300000000 ] - [ -0.0005982000000000, -0.0000865700000000, 0.0005691300000000 ] - [ 0.0005945500000000, 0.0001388700000000, 0.0005747300000000 ] - [ 0.0042419100000000, -0.0000906500000000, -0.0058749100000000 ] - [ -0.0008780900000000, -0.0001222600000000, -0.0006175300000000 ] - [ -0.0007585800000000, -0.0000275800000000, 0.0003566800000000 ] - [ 0.0014218400000000, -0.0000032700000000, 0.0008283100000000 ] - [ -0.0006502100000000, 0.0001121200000000, -0.0002110700000000 ] - [ 0.0009679000000000, -0.0000893300000000, -0.0018089700000000 ] - [ 0.0002835400000000, -0.0001980200000000, 0.0010414000000000 ] - [ -0.0002113200000000, -0.0000722000000000, 0.0005175900000000 ] - [ 0.0015910200000000, 0.0001079200000000, 0.0000133300000000 ] - [ -0.0009105700000000, -0.0001163300000000, 0.0002526300000000 ] - [ -0.0001479500000000, 0.0000948300000000, 0.0001692700000000 ] - [ -0.0001554700000000, 0.0006860400000000, 0.0012475000000000 ] - [ -0.0006152900000000, -0.0014631700000000, 0.0022791000000000 ] - [ -0.0004477000000000, -0.0000041200000000, 0.0002073700000000 ] - [ -0.0004404400000000, 0.0001819000000000, 0.0003309600000000 ] - [ -0.0002367000000000, 0.0002005500000000, 0.0005559900000000 ] - [ -0.0003602500000000, -0.0003333000000000, 0.0004931200000000 ] - [ -0.0002899700000000, 0.0003106500000000, -0.0000784700000000 ] - [ -0.0003776000000000, -0.0000869500000000, 0.0003839400000000 ] - [ -0.0003456600000000, -0.0001473400000000, 0.0003848500000000 ] - [ 0.0001693600000000, 0.0003618000000000, 0.0000015000000000 ] - [ 0.0005203100000000, -0.0005175200000000, -0.0005862000000000 ] - [ 0.0003020600000000, 0.0000968000000000, -0.0000362600000000 ] - [ 0.0002954200000000, 0.0000740200000000, -0.0002375400000000 ] - [ 0.0004460400000000, 0.0003066400000000, -0.0005904000000000 ] - [ 0.0002615000000000, 0.0001008400000000, -0.0003302000000000 ] - [ 0.0003198900000000, -0.0000221800000000, -0.0001824100000000 ] - [ 0.0003580200000000, -0.0003984100000000, 0.0001079200000000 ] - [ -0.0004357600000000, -0.0004772700000000, 0.0003565700000000 ] - [ 0.0008885500000000, -0.0003691600000000, -0.0010057400000000 ] - [ -0.0012175400000000, -0.0005163400000000, 0.0008093100000000 ] - [ -0.0000978700000000, -0.0004374100000000, -0.0001411400000000 ] - [ 0.0007252000000000, -0.0000507000000000, -0.0015559900000000 ] - [ -0.0004087700000000, 0.0004666800000000, -0.0001425800000000 ] - [ -0.0000732700000000, 0.0004300900000000, -0.0000872600000000 ] - [ -0.0001602300000000, 0.0004500200000000, 0.0001549100000000 ] - [ -0.0007438100000000, 0.0004587600000000, 0.0013625800000000 ] - [ -0.0000863500000000, 0.0004300600000000, 0.0002534400000000 ] - [ -0.0002857300000000, 0.0004148600000000, 0.0005182800000000 ] - [ 0.0002300900000000, 0.0004454400000000, 0.0002531800000000 ] - [ 0.0002690200000000, -0.0003498800000000, -0.0002594700000000 ] - [ -0.0001106300000000, -0.0004193600000000, 0.0001453100000000 ] - [ -0.0001803700000000, -0.0004084100000000, 0.0004862800000000 ] - [ -0.0001227000000000, -0.0003863800000000, 0.0004989900000000 ] - [ 0.0202914700000000, 0.0003843600000000, -0.0027969100000000 ] - [ -0.0007636300000000, -0.0003915900000000, -0.0005809600000000 ] - [ -0.0003237000000000, -0.0004781600000000, -0.0001342100000000 ] - [ 0.0002038900000000, -0.0005405300000000, 0.0002874500000000 ] - [ -0.0007255400000000, 0.0003868200000000, -0.0005571300000000 ] - [ -0.0000785400000000, 0.0005466700000000, -0.0002279300000000 ] - [ 0.0001409800000000, 0.0006491800000000, 0.0002337200000000 ] - [ -0.0002708900000000, 0.0004761700000000, -0.0001411900000000 ] - [ -0.0004525400000000, 0.0010017500000000, -0.0004549300000000 ] - [ -0.0000785000000000, 0.0005199000000000, -0.0001201100000000 ] - [ 0.0001829700000000, 0.0004709400000000, 0.0002518400000000 ] - [ 0.0005879600000000, 0.0004144500000000, 0.0004988700000000 ] - [ 0.0003511000000000, -0.0007478700000000, 0.0004098200000000 ] - [ 0.0001086300000000, -0.0004804300000000, 0.0000901500000000 ] - [ 0.0001212900000000, -0.0004831400000000, 0.0001413700000000 ] - [ 0.0004929900000000, -0.0005080200000000, 0.0003070300000000 ] - [ 0.0218802200000000, 0.0447542900000000, -0.0010628400000000 ] - [ 0.0001124300000000, 0.0000796500000000, -0.0001900800000000 ] - [ 0.0002798300000000, 0.0000578500000000, 0.0000679300000000 ] - [ 0.0004382900000000, 0.0001008100000000, 0.0001641600000000 ] - [ 0.0001673600000000, 0.0001363500000000, 0.0001213800000000 ] - [ 0.0004892900000000, -0.0000405700000000, -0.0000183200000000 ] - [ 0.0003553700000000, -0.0003372300000000, 0.0000835200000000 ] - [ 0.0003749200000000, -0.0001055300000000, -0.0000878600000000 ] - [ -0.0006442700000000, 0.0001962900000000, -0.0003102600000000 ] - [ -0.0006472300000000, -0.0001602000000000, -0.0001821700000000 ] - [ -0.0003757300000000, -0.0002173200000000, 0.0002368700000000 ] - [ -0.0004613900000000, 0.0000545600000000, 0.0003084800000000 ] - [ -0.0004496300000000, 0.0000810900000000, 0.0000691600000000 ] - [ -0.0002498700000000, 0.0000383600000000, -0.0001490900000000 ] - [ -0.0002937800000000, 0.0000612900000000, 0.0001418500000000 ] - [ -0.0004389600000000, 0.0001060500000000, 0.0001194100000000 ] - [ -0.0010445900000000, -0.0004104600000000, 0.0036302600000000 ] - [ 0.0009301500000000, 0.0003716500000000, -0.0001284500000000 ] - [ 0.0000191700000000, 0.0000451400000000, -0.0000334100000000 ] - [ 0.0003587000000000, -0.0005294800000000, -0.0012414000000000 ] - [ 0.0004456500000000, 0.0000554800000000, 0.0002048900000000 ] - [ -0.0013092700000000, 0.0003002100000000, 0.0011544700000000 ] - [ -0.0002376900000000, -0.0001410900000000, -0.0004598500000000 ] - [ 0.0001447600000000, -0.0000557100000000, -0.0002022200000000 ] - [ -0.0002264800000000, -0.0050967600000000, -0.0028816300000000 ] - [ 0.0003927800000000, -0.0000728700000000, 0.0001387700000000 ] - [ 0.0002368300000000, -0.0000007000000000, -0.0001983500000000 ] - [ -0.0003509100000000, 0.0000416800000000, -0.0004015100000000 ] - [ 0.0001569100000000, -0.0006140500000000, 0.0000906700000000 ] - [ 0.0000042100000000, 0.0001328800000000, 0.0002470900000000 ] - [ 0.0002287300000000, 0.0000793500000000, -0.0002223300000000 ] - [ -0.0001315900000000, 0.0000585100000000, -0.0001673600000000 ] - [ 0.0013954300000000, 0.0001287000000000, -0.0000138900000000 ] - [ 0.0004406500000000, 0.0007716900000000, 0.0018029500000000 ] - [ 0.0003246000000000, 0.0003851800000000, -0.0009468200000000 ] - [ -0.0000836900000000, 0.0004124600000000, -0.0001539500000000 ] - [ -0.0012517100000000, -0.0011683900000000, 0.0003228000000000 ] - [ 0.0003460100000000, -0.0004459500000000, 0.0000399200000000 ] - [ 0.0000910300000000, -0.0003767400000000, -0.0000226400000000 ] - [ -0.0006375900000000, 0.0005204800000000, -0.0011226900000000 ] - [ 0.0011641500000000, 0.0062628800000000, -0.0025789600000000 ] - [ 0.0003961200000000, -0.0003876900000000, 0.0001442700000000 ] - [ 0.0003307800000000, -0.0004636900000000, -0.0002909600000000 ] - [ -0.0002198700000000, -0.0005137900000000, -0.0004335200000000 ] - [ 0.0001159700000000, 0.0004942000000000, 0.0001562200000000 ] - [ 0.0001331100000000, 0.0002589900000000, 0.0001918800000000 ] - [ 0.0002155000000000, 0.0003613300000000, -0.0003470100000000 ] - [ 0.0000190900000000, 0.0004382700000000, -0.0003110700000000 ] - [ 0.0017579000000000, 0.0008756700000000, -0.0045332400000000 ] - [ 0.0006383000000000, 0.0006546500000000, -0.0003695900000000 ] - [ 0.0009347400000000, 0.0006540500000000, -0.0008183300000000 ] - [ -0.0010533300000000, 0.0004469600000000, -0.0007100400000000 ] - [ 0.0008260700000000, 0.0008449000000000, 0.0005555200000000 ] - [ 0.0014658500000000, -0.0010051000000000, 0.0006706100000000 ] - [ 0.0004084300000000, -0.0006540100000000, -0.0007193000000000 ] - [ 0.0003974200000000, -0.0006373800000000, -0.0009132400000000 ] - [ 0.0000729000000000, -0.0009972500000000, 0.0001137100000000 ] - [ -0.0007257200000000, -0.0004087800000000, 0.0006698600000000 ] - [ 0.0001702200000000, -0.0006069300000000, -0.0005473900000000 ] - [ -0.0003431700000000, -0.0008009700000000, 0.0003263200000000 ] - [ -0.0008295600000000, 0.0005374400000000, 0.0011586100000000 ] - [ -0.0000740700000000, 0.0006290800000000, 0.0006465400000000 ] - [ -0.0001966700000000, 0.0006713100000000, 0.0001679000000000 ] - [ -0.0004747400000000, 0.0008707500000000, -0.0001997700000000 ] - [ -0.0535832500000000, -0.0457070200000000, 0.0173140500000000 ] - [ 0.0006975100000000, 0.0004231200000000, -0.0000720900000000 ] - [ 0.0002513300000000, 0.0004385000000000, -0.0007053700000000 ] - [ -0.0003676800000000, 0.0004424000000000, -0.0010584100000000 ] - [ 0.0012558500000000, 0.0002156800000000, -0.0007001000000000 ] - [ -0.0000995500000000, -0.0004751600000000, -0.0003802000000000 ] - [ 0.0002687000000000, -0.0007435900000000, -0.0016367800000000 ] - [ -0.0001509600000000, -0.0004186500000000, -0.0004283200000000 ] - [ 0.0004294800000000, -0.0008598000000000, 0.0012510700000000 ] - [ 0.0003964300000000, -0.0003147500000000, 0.0009407900000000 ] - [ 0.0000354300000000, -0.0003361100000000, 0.0002310700000000 ] - [ -0.0001095800000000, -0.0005229000000000, -0.0000772300000000 ] - [ -0.0003082000000000, 0.0006878500000000, 0.0000734100000000 ] - [ 0.0002288200000000, 0.0004384900000000, 0.0004315100000000 ] - [ 0.0001839500000000, 0.0004391400000000, 0.0004806000000000 ] - [ -0.0004870500000000, 0.0002925200000000, 0.0005705200000000 ]