# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/46c4ec83-d3eb-48ad-ba2a-4fa768041add/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 NaSbS2 / C2/c (15) / materials id 5414](https://mdr.nims.go.jp/datasets/543ef969-3028-4c79-9bb6-b2836328f77d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.043401095000000, -4.048705875000000, -0.003140635000000 ] # a - [ 4.043401095000000, 4.048705875000000, -0.003140635000000 ] # b - [ -3.778763470000000, 0.000000000000000, 5.662398660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.632801510000000, 0.367198490000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.367198490000000, 0.632801510000000, 0.250000000000000 ] mass: 22.989769 - symbol: S # 3 coordinates: [ 0.680949120000000, 0.870839360000000, 0.764214610000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.129160640000000, 0.319050880000000, 0.735785390000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.319050880000000, 0.129160640000000, 0.235785390000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.870839360000000, 0.680949120000000, 0.264214610000000 ] mass: 32.065000 - symbol: Sb # 7 coordinates: [ 0.893277620000000, 0.106722380000000, 0.250000000000000 ] mass: 121.760000 - symbol: Sb # 8 coordinates: [ 0.106722380000000, 0.893277620000000, 0.750000000000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.123722404913742, -0.123496251749826, 0.082565310600825 ] # a* - [ 0.123722404913742, 0.123496251749826, 0.082565310600825 ] # b* - [ 0.000137244633763, 0.000000000000000, 0.176695191399420 ] # c*unit_cell: lattice: - [ 8.086802190000000, 0.000000000000000, -0.006281270000000 ] # a - [ 0.000000000000000, 8.097411749999999, 0.000000000000000 ] # b - [ -3.778763470000000, 0.000000000000000, 5.662398660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.367198490000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.632801510000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.867198490000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.132801510000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: S # 5 coordinates: [ 0.275894240000000, 0.594945120000000, 0.764214610000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.724105760000000, 0.594945120000000, 0.735785390000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.724105760000000, 0.405054880000000, 0.235785390000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.275894240000000, 0.405054880000000, 0.264214610000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.775894240000000, 0.094945120000000, 0.764214610000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 10 coordinates: [ 0.224105760000000, 0.094945120000000, 0.735785390000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 11 coordinates: [ 0.224105760000000, 0.905054880000000, 0.235785390000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 12 coordinates: [ 0.775894240000000, 0.905054880000000, 0.264214610000000 ] mass: 32.065000 reduced_to: 8 - symbol: Sb # 13 coordinates: [ 0.000000000000000, 0.106722380000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.000000000000000, 0.893277620000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 14 - symbol: Sb # 15 coordinates: [ 0.500000000000000, 0.606722380000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.500000000000000, 0.393277620000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 14supercell: lattice: - [ 16.173604380000000, 0.000000000000000, -0.012562540000000 ] # a - [ 0.000000000000000, 16.194823499999998, 0.000000000000000 ] # b - [ -7.557526940000000, 0.000000000000000, 11.324797320000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.183599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.183599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.683599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.683599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.183599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.183599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.683599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.683599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.316400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.316400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.816400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.500000000000000, 0.816400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.316400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.316400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 15 coordinates: [ 0.000000000000000, 0.816400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 16 coordinates: [ 0.500000000000000, 0.816400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 17 coordinates: [ 0.250000000000000, 0.433599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.750000000000000, 0.433599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.250000000000000, 0.933599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 20 coordinates: [ 0.750000000000000, 0.933599245000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 21 coordinates: [ 0.250000000000000, 0.433599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 22 coordinates: [ 0.750000000000000, 0.433599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 23 coordinates: [ 0.250000000000000, 0.933599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 24 coordinates: [ 0.750000000000000, 0.933599245000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 25 coordinates: [ 0.250000000000000, 0.066400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 26 coordinates: [ 0.750000000000000, 0.066400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 27 coordinates: [ 0.250000000000000, 0.566400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 28 coordinates: [ 0.750000000000000, 0.566400755000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 29 coordinates: [ 0.250000000000000, 0.066400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 30 coordinates: [ 0.750000000000000, 0.066400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 31 coordinates: [ 0.250000000000000, 0.566400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 32 coordinates: [ 0.750000000000000, 0.566400755000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: S # 33 coordinates: [ 0.137947120000000, 0.297472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.637947120000000, 0.297472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.137947120000000, 0.797472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.637947120000000, 0.797472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.137947120000000, 0.297472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 38 coordinates: [ 0.637947120000000, 0.297472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 39 coordinates: [ 0.137947120000000, 0.797472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 40 coordinates: [ 0.637947120000000, 0.797472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 41 coordinates: [ 0.362052880000000, 0.297472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.862052880000000, 0.297472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.362052880000000, 0.797472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.862052880000000, 0.797472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.362052880000000, 0.297472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 46 coordinates: [ 0.862052880000000, 0.297472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 47 coordinates: [ 0.362052880000000, 0.797472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 48 coordinates: [ 0.862052880000000, 0.797472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 49 coordinates: [ 0.362052880000000, 0.202527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.862052880000000, 0.202527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.362052880000000, 0.702527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.862052880000000, 0.702527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.362052880000000, 0.202527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.862052880000000, 0.202527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.362052880000000, 0.702527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 56 coordinates: [ 0.862052880000000, 0.702527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 57 coordinates: [ 0.137947120000000, 0.202527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.637947120000000, 0.202527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.137947120000000, 0.702527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.637947120000000, 0.702527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.137947120000000, 0.202527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 62 coordinates: [ 0.637947120000000, 0.202527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 63 coordinates: [ 0.137947120000000, 0.702527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 64 coordinates: [ 0.637947120000000, 0.702527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 65 coordinates: [ 0.387947120000000, 0.047472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 66 coordinates: [ 0.887947120000000, 0.047472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 67 coordinates: [ 0.387947120000000, 0.547472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 68 coordinates: [ 0.887947120000000, 0.547472560000000, 0.382107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 69 coordinates: [ 0.387947120000000, 0.047472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 70 coordinates: [ 0.887947120000000, 0.047472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 71 coordinates: [ 0.387947120000000, 0.547472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 72 coordinates: [ 0.887947120000000, 0.547472560000000, 0.882107305000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 73 coordinates: [ 0.112052880000000, 0.047472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.612052880000000, 0.047472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 75 coordinates: [ 0.112052880000000, 0.547472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 76 coordinates: [ 0.612052880000000, 0.547472560000000, 0.367892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 77 coordinates: [ 0.112052880000000, 0.047472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 78 coordinates: [ 0.612052880000000, 0.047472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 79 coordinates: [ 0.112052880000000, 0.547472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 80 coordinates: [ 0.612052880000000, 0.547472560000000, 0.867892695000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 81 coordinates: [ 0.112052880000000, 0.452527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.612052880000000, 0.452527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 83 coordinates: [ 0.112052880000000, 0.952527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 84 coordinates: [ 0.612052880000000, 0.952527440000000, 0.117892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 85 coordinates: [ 0.112052880000000, 0.452527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 86 coordinates: [ 0.612052880000000, 0.452527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 87 coordinates: [ 0.112052880000000, 0.952527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 88 coordinates: [ 0.612052880000000, 0.952527440000000, 0.617892695000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 89 coordinates: [ 0.387947120000000, 0.452527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.887947120000000, 0.452527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 91 coordinates: [ 0.387947120000000, 0.952527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 92 coordinates: [ 0.887947120000000, 0.952527440000000, 0.132107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 93 coordinates: [ 0.387947120000000, 0.452527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 94 coordinates: [ 0.887947120000000, 0.452527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 95 coordinates: [ 0.387947120000000, 0.952527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 96 coordinates: [ 0.887947120000000, 0.952527440000000, 0.632107305000000 ] mass: 32.065000 reduced_to: 57 - symbol: Sb # 97 coordinates: [ 0.000000000000000, 0.053361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 98 coordinates: [ 0.500000000000000, 0.053361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 99 coordinates: [ 0.000000000000000, 0.553361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 100 coordinates: [ 0.500000000000000, 0.553361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 101 coordinates: [ 0.000000000000000, 0.053361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 102 coordinates: [ 0.500000000000000, 0.053361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 103 coordinates: [ 0.000000000000000, 0.553361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 104 coordinates: [ 0.500000000000000, 0.553361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 105 coordinates: [ 0.000000000000000, 0.446638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 106 coordinates: [ 0.500000000000000, 0.446638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 107 coordinates: [ 0.000000000000000, 0.946638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 108 coordinates: [ 0.500000000000000, 0.946638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 109 coordinates: [ 0.000000000000000, 0.446638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 110 coordinates: [ 0.500000000000000, 0.446638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 111 coordinates: [ 0.000000000000000, 0.946638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 112 coordinates: [ 0.500000000000000, 0.946638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 113 coordinates: [ 0.250000000000000, 0.303361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 114 coordinates: [ 0.750000000000000, 0.303361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 115 coordinates: [ 0.250000000000000, 0.803361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 116 coordinates: [ 0.750000000000000, 0.803361190000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 117 coordinates: [ 0.250000000000000, 0.303361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 118 coordinates: [ 0.750000000000000, 0.303361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 119 coordinates: [ 0.250000000000000, 0.803361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 120 coordinates: [ 0.750000000000000, 0.803361190000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 121 coordinates: [ 0.250000000000000, 0.196638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 122 coordinates: [ 0.750000000000000, 0.196638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 123 coordinates: [ 0.250000000000000, 0.696638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 124 coordinates: [ 0.750000000000000, 0.696638810000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 125 coordinates: [ 0.250000000000000, 0.196638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 126 coordinates: [ 0.750000000000000, 0.196638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 127 coordinates: [ 0.250000000000000, 0.696638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 128 coordinates: [ 0.750000000000000, 0.696638810000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105born_effective_charge:- # 1 (Na) - [ 1.100583050000000, -0.000000000000000, 0.142257690000000 ] - [ -0.000000000000000, 1.240834810000000, 0.000000000000000 ] - [ 0.138001600000000, 0.000000000000000, 1.458587800000000 ]- # 2 (Na) - [ 1.100583050000000, -0.000000000000000, 0.142257690000000 ] - [ -0.000000000000000, 1.240834810000000, 0.000000000000000 ] - [ 0.138001600000000, 0.000000000000000, 1.458587800000000 ]- # 3 (S) - [ -2.146501030000000, 1.986545410000000, 0.747004090000000 ] - [ 1.038335050000000, -1.838472640000000, -0.200370840000000 ] - [ 0.653112890000000, -0.573532880000000, -3.095186770000000 ]- # 4 (S) - [ -2.146501030000000, -1.986545410000000, 0.747004090000000 ] - [ -1.038335050000000, -1.838472640000000, 0.200370840000000 ] - [ 0.653112890000000, 0.573532880000000, -3.095186770000000 ]- # 5 (S) - [ -2.146501030000000, 1.986545410000000, 0.747004090000000 ] - [ 1.038335050000000, -1.838472640000000, -0.200370840000000 ] - [ 0.653112890000000, -0.573532880000000, -3.095186770000000 ]- # 6 (S) - [ -2.146501030000000, -1.986545410000000, 0.747004090000000 ] - [ -1.038335050000000, -1.838472640000000, 0.200370840000000 ] - [ 0.653112890000000, 0.573532880000000, -3.095186770000000 ]- # 7 (Sb) - [ 3.192419000000000, 0.000000000000000, -1.636265870000000 ] - [ 0.000000000000000, 2.436110470000000, -0.000000000000000 ] - [ -1.444227380000000, -0.000000000000000, 4.731785740000000 ]- # 8 (Sb) - [ 3.192419000000000, 0.000000000000000, -1.636265870000000 ] - [ 0.000000000000000, 2.436110470000000, -0.000000000000000 ] - [ -1.444227380000001, -0.000000000000000, 4.731785740000000 ]dielectric_constant: - [ 14.998035900000000, 0.000000000000000, -1.899401100000000 ] - [ 0.000000000000000, 10.738594790000001, 0.000000000000000 ] - [ -1.899385130000000, 0.000000000000000, 8.954476959999999 ]displacements:- atom: 1 displacement: [ 0.0099999969834461, 0.0000000000000000, -0.0000077673077165 ] forces: - [ -0.0220569500000000, -0.0016558900000000, -0.0011387600000000 ] - [ 0.0002188500000000, -0.0015944000000000, 0.0001170400000000 ] - [ -0.0000344400000000, -0.0015947100000000, 0.0000084100000000 ] - [ -0.0000003400000000, -0.0015945100000000, -0.0000031700000000 ] - [ -0.0000555500000000, -0.0015943600000000, -0.0002105200000000 ] - [ 0.0001232600000000, -0.0015945100000000, 0.0002300300000000 ] - [ 0.0000061600000000, -0.0015943500000000, 0.0000034600000000 ] - [ -0.0000081700000000, -0.0015944000000000, -0.0000048100000000 ] - [ -0.0000540200000000, 0.0019460600000000, -0.0007777000000000 ] - [ 0.0001769600000000, 0.0015796900000000, 0.0001842300000000 ] - [ -0.0000065900000000, 0.0015504600000000, -0.0000097000000000 ] - [ 0.0000034700000000, 0.0016086500000000, -0.0000058000000000 ] - [ -0.0000527100000000, 0.0012452900000000, -0.0007752000000000 ] - [ 0.0001773200000000, 0.0016096600000000, 0.0001841500000000 ] - [ -0.0000066200000000, 0.0016384900000000, -0.0000095700000000 ] - [ 0.0000032600000000, 0.0015804700000000, -0.0000057200000000 ] - [ 0.0002542200000000, -0.0011538500000000, -0.0000350800000000 ] - [ 0.0002545500000000, -0.0020362600000000, -0.0000353900000000 ] - [ 0.0002536700000000, -0.0017612100000000, 0.0000114100000000 ] - [ 0.0002551100000000, -0.0014266100000000, 0.0000113100000000 ] - [ -0.0000181000000000, -0.0015004100000000, 0.0000127100000000 ] - [ -0.0000180400000000, -0.0016886400000000, 0.0000126600000000 ] - [ -0.0000180500000000, -0.0015937800000000, -0.0000167300000000 ] - [ -0.0000181300000000, -0.0015949700000000, -0.0000166900000000 ] - [ 0.0000545700000000, 0.0014758100000000, -0.0000764700000000 ] - [ 0.0001780200000000, 0.0020220500000000, 0.0006691800000000 ] - [ 0.0000114400000000, 0.0016171800000000, -0.0000006900000000 ] - [ -0.0000129900000000, 0.0015526000000000, 0.0000135600000000 ] - [ 0.0001774700000000, 0.0011641400000000, 0.0006725500000000 ] - [ 0.0000543000000000, 0.0017131100000000, -0.0000764900000000 ] - [ -0.0000130200000000, 0.0016363700000000, 0.0000135900000000 ] - [ 0.0000115000000000, 0.0015718400000000, -0.0000008200000000 ] - [ 0.0626972900000000, -0.0319267400000000, 0.0077041200000000 ] - [ 0.0576727600000000, -0.0361499400000000, 0.0088614000000000 ] - [ 0.0583876800000000, -0.0363271000000000, 0.0086843300000000 ] - [ 0.0582755300000000, -0.0364282200000000, 0.0087568700000000 ] - [ 0.0583767700000000, -0.0363895400000000, 0.0088120700000000 ] - [ 0.0583972600000000, -0.0366666700000000, 0.0080741400000000 ] - [ 0.0583150900000000, -0.0364022000000000, 0.0087699000000000 ] - [ 0.0583163900000000, -0.0363918700000000, 0.0087488900000000 ] - [ -0.0589574200000000, -0.0366444500000000, -0.0086509900000000 ] - [ -0.0541123900000000, -0.0406860500000000, -0.0098153200000000 ] - [ -0.0583569300000000, -0.0363642000000000, -0.0087552700000000 ] - [ -0.0582446800000000, -0.0364654900000000, -0.0088276800000000 ] - [ -0.0582329600000000, -0.0361238300000000, -0.0094381700000000 ] - [ -0.0582553000000000, -0.0364027100000000, -0.0087011400000000 ] - [ -0.0583161000000000, -0.0364008200000000, -0.0087634100000000 ] - [ -0.0583173300000000, -0.0363902800000000, -0.0087421200000000 ] - [ -0.0583632200000000, 0.0363800900000000, -0.0089828500000000 ] - [ -0.0577949000000000, 0.0361942400000000, -0.0088825700000000 ] - [ -0.0583585000000000, 0.0364382700000000, -0.0087445000000000 ] - [ -0.0583023900000000, 0.0363938800000000, -0.0087632900000000 ] - [ -0.0585176600000000, 0.0363997500000000, -0.0091875900000000 ] - [ -0.0585342700000000, 0.0365302600000000, -0.0084752200000000 ] - [ -0.0583050200000000, 0.0363782100000000, -0.0087545100000000 ] - [ -0.0583150200000000, 0.0363829900000000, -0.0087712200000000 ] - [ 0.0580965400000000, 0.0362611800000000, 0.0090378300000000 ] - [ 0.0581152000000000, 0.0363907500000000, 0.0083266600000000 ] - [ 0.0583174500000000, 0.0364095300000000, 0.0087408400000000 ] - [ 0.0583274800000000, 0.0364146000000000, 0.0087573800000000 ] - [ 0.0588351600000000, 0.0365972200000000, 0.0086156800000000 ] - [ 0.0582705300000000, 0.0364142100000000, 0.0085259900000000 ] - [ 0.0583301700000000, 0.0363989300000000, 0.0087485800000000 ] - [ 0.0582742500000000, 0.0363544500000000, 0.0087674100000000 ] - [ 0.0579631400000000, -0.0361235900000000, 0.0087137300000000 ] - [ 0.0628933000000000, -0.0342599300000000, 0.0095582900000000 ] - [ 0.0582196500000000, -0.0363806500000000, 0.0087460400000000 ] - [ 0.0585322400000000, -0.0363813500000000, 0.0088092400000000 ] - [ 0.0582732900000000, -0.0363456800000000, 0.0086472200000000 ] - [ 0.0582330700000000, -0.0362299800000000, 0.0093399300000000 ] - [ 0.0582847300000000, -0.0363847700000000, 0.0087155300000000 ] - [ 0.0583377300000000, -0.0364054900000000, 0.0088139600000000 ] - [ -0.0536479800000000, -0.0386704100000000, -0.0079569300000000 ] - [ -0.0586690200000000, -0.0366686700000000, -0.0087984900000000 ] - [ -0.0581002300000000, -0.0364111600000000, -0.0087034400000000 ] - [ -0.0584129800000000, -0.0364122400000000, -0.0087656400000000 ] - [ -0.0583998400000000, -0.0365623200000000, -0.0081733100000000 ] - [ -0.0583591700000000, -0.0364468100000000, -0.0088648700000000 ] - [ -0.0582952800000000, -0.0363870600000000, -0.0086981400000000 ] - [ -0.0583477900000000, -0.0364073600000000, -0.0087967400000000 ] - [ -0.0582767500000000, 0.0362607500000000, -0.0085219300000000 ] - [ -0.0584300000000000, 0.0365175200000000, -0.0089617100000000 ] - [ -0.0584914000000000, 0.0365614900000000, -0.0082656600000000 ] - [ -0.0584022300000000, 0.0363735700000000, -0.0089223500000000 ] - [ -0.0581856200000000, 0.0363536700000000, -0.0087258500000000 ] - [ -0.0583971300000000, 0.0364608700000000, -0.0087906700000000 ] - [ -0.0579918400000000, 0.0362067500000000, -0.0087095900000000 ] - [ -0.0583777300000000, 0.0364464500000000, -0.0087405400000000 ] - [ 0.0582349600000000, 0.0363315900000000, 0.0087217000000000 ] - [ 0.0584474200000000, 0.0364396000000000, 0.0087864800000000 ] - [ 0.0582547100000000, 0.0363464300000000, 0.0087717600000000 ] - [ 0.0586420000000000, 0.0365856800000000, 0.0088035300000000 ] - [ 0.0582032800000000, 0.0362759600000000, 0.0085501900000000 ] - [ 0.0583557300000000, 0.0365318900000000, 0.0089898300000000 ] - [ 0.0582305300000000, 0.0364192000000000, 0.0085898200000000 ] - [ 0.0581415500000000, 0.0362320400000000, 0.0092474700000000 ] - [ 0.0000472800000000, -0.0656090600000000, -0.0025191300000000 ] - [ 0.0002044600000000, -0.0648513600000000, 0.0001745100000000 ] - [ -0.0001250000000000, -0.0648479600000000, -0.0000069000000000 ] - [ 0.0001323700000000, -0.0649385900000000, -0.0000579100000000 ] - [ 0.0000498400000000, -0.0641858000000000, -0.0025159700000000 ] - [ 0.0002044500000000, -0.0649404900000000, 0.0001749000000000 ] - [ -0.0001248000000000, -0.0649436900000000, -0.0000071200000000 ] - [ 0.0001319100000000, -0.0648530100000000, -0.0000572700000000 ] - [ -0.0010484000000000, 0.0648950100000000, -0.0000395100000000 ] - [ 0.0002166600000000, 0.0648960600000000, 0.0000741600000000 ] - [ -0.0038171200000000, 0.0649057200000000, 0.0006085700000000 ] - [ 0.0003352600000000, 0.0648960500000000, -0.0001318900000000 ] - [ -0.0000690800000000, 0.0648957700000000, -0.0003287500000000 ] - [ 0.0001066700000000, 0.0648957900000000, 0.0003468400000000 ] - [ 0.0003147200000000, 0.0648954100000000, -0.0004447200000000 ] - [ -0.0000000500000000, 0.0648957900000000, 0.0001791700000000 ] - [ 0.0002100900000000, -0.0645837800000000, -0.0003602100000000 ] - [ -0.0000178400000000, -0.0651897800000000, 0.0031604600000000 ] - [ 0.0000317800000000, -0.0649393500000000, -0.0000123500000000 ] - [ -0.0000458300000000, -0.0649078800000000, 0.0000723300000000 ] - [ -0.0000234100000000, -0.0645990300000000, 0.0031706000000000 ] - [ 0.0002070600000000, -0.0652068300000000, -0.0003595800000000 ] - [ -0.0000457900000000, -0.0648837400000000, 0.0000725200000000 ] - [ 0.0000318900000000, -0.0648522100000000, -0.0000123100000000 ] - [ 0.0034726300000000, 0.0640504400000000, -0.0001710900000000 ] - [ 0.0034397700000000, 0.0657496500000000, -0.0001721300000000 ] - [ 0.0000753800000000, 0.0648343500000000, 0.0000190300000000 ] - [ 0.0000758300000000, 0.0649572700000000, 0.0000191200000000 ] - [ 0.0000005600000000, 0.0646298600000000, 0.0005483400000000 ] - [ -0.0000002100000000, 0.0651602600000000, 0.0005601900000000 ] - [ 0.0000023200000000, 0.0648927000000000, -0.0000070100000000 ] - [ 0.0000023500000000, 0.0648989600000000, -0.0000069600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0232484700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017624000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013674300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015302800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018095300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016860100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014860600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015280800000000, 0.0000000000000000 ] - [ 0.0003514700000000, 0.0017884900000000, -0.0006769800000000 ] - [ -0.0000149900000000, 0.0016391900000000, -0.0000009000000000 ] - [ -0.0000437800000000, 0.0018259900000000, 0.0000511300000000 ] - [ 0.0000141600000000, 0.0016044900000000, -0.0000072300000000 ] - [ -0.0003514700000000, 0.0017884900000000, 0.0006769800000000 ] - [ 0.0000149900000000, 0.0016391900000000, 0.0000009000000000 ] - [ 0.0000437800000000, 0.0018259900000000, -0.0000511300000000 ] - [ -0.0000141600000000, 0.0016044900000000, 0.0000072300000000 ] - [ 0.0001669200000000, -0.0013161100000000, -0.0000112000000000 ] - [ -0.0001669200000000, -0.0013161100000000, 0.0000112000000000 ] - [ -0.0004419000000000, -0.0013151500000000, -0.0000933900000000 ] - [ 0.0004419000000000, -0.0013151500000000, 0.0000933900000000 ] - [ -0.0000003500000000, -0.0015622300000000, 0.0000647900000000 ] - [ 0.0000003500000000, -0.0015622300000000, -0.0000647900000000 ] - [ -0.0000940400000000, -0.0015618100000000, -0.0001656400000000 ] - [ 0.0000940400000000, -0.0015618100000000, 0.0001656400000000 ] - [ -0.0001185400000000, 0.0014127200000000, -0.0001074400000000 ] - [ 0.0004284500000000, 0.0014558100000000, 0.0007540400000000 ] - [ 0.0000227200000000, 0.0016773700000000, 0.0000191800000000 ] - [ -0.0000422200000000, 0.0017182400000000, -0.0000451200000000 ] - [ -0.0004284500000000, 0.0014558100000000, -0.0007540400000000 ] - [ 0.0001185400000000, 0.0014127200000000, 0.0001074400000000 ] - [ 0.0000422200000000, 0.0017182400000000, 0.0000451200000000 ] - [ -0.0000227200000000, 0.0016773700000000, -0.0000191800000000 ] - [ 0.0620481700000000, -0.0310996500000000, 0.0080260800000000 ] - [ 0.0587780000000000, -0.0362296700000000, 0.0085993200000000 ] - [ 0.0586596500000000, -0.0369319500000000, 0.0088197500000000 ] - [ 0.0582737300000000, -0.0364868400000000, 0.0087195600000000 ] - [ 0.0583266800000000, -0.0363455300000000, 0.0088483700000000 ] - [ 0.0581540600000000, -0.0361607800000000, 0.0091949500000000 ] - [ 0.0583666400000000, -0.0365390600000000, 0.0088142900000000 ] - [ 0.0583139100000000, -0.0364866000000000, 0.0086769500000000 ] - [ -0.0587780000000000, -0.0362296700000000, -0.0085993200000000 ] - [ -0.0620481700000000, -0.0310996500000000, -0.0080260800000000 ] - [ -0.0582737300000000, -0.0364868400000000, -0.0087195600000000 ] - [ -0.0586596500000000, -0.0369319500000000, -0.0088197500000000 ] - [ -0.0581540600000000, -0.0361607800000000, -0.0091949500000000 ] - [ -0.0583266800000000, -0.0363455300000000, -0.0088483700000000 ] - [ -0.0583139100000000, -0.0364866000000000, -0.0086769500000000 ] - [ -0.0583666400000000, -0.0365390600000000, -0.0088142900000000 ] - [ -0.0582408100000000, 0.0363945100000000, -0.0090187200000000 ] - [ -0.0584469100000000, 0.0369351300000000, -0.0087134300000000 ] - [ -0.0582275700000000, 0.0362460700000000, -0.0087506200000000 ] - [ -0.0582850700000000, 0.0362237700000000, -0.0087793800000000 ] - [ -0.0584769100000000, 0.0367271900000000, -0.0089129000000000 ] - [ -0.0583374800000000, 0.0366258000000000, -0.0089098700000000 ] - [ -0.0582291300000000, 0.0362319300000000, -0.0087600300000000 ] - [ -0.0582834700000000, 0.0362752500000000, -0.0087625700000000 ] - [ 0.0583374800000000, 0.0366258000000000, 0.0089098700000000 ] - [ 0.0584769100000000, 0.0367271900000000, 0.0089129000000000 ] - [ 0.0582834700000000, 0.0362752500000000, 0.0087625700000000 ] - [ 0.0582291300000000, 0.0362319300000000, 0.0087600300000000 ] - [ 0.0584469100000000, 0.0369351300000000, 0.0087134300000000 ] - [ 0.0582408100000000, 0.0363945100000000, 0.0090187200000000 ] - [ 0.0582850700000000, 0.0362237700000000, 0.0087793800000000 ] - [ 0.0582275700000000, 0.0362460700000000, 0.0087506200000000 ] - [ 0.0582963000000000, -0.0362019500000000, 0.0088088800000000 ] - [ 0.0614397700000000, -0.0328270300000000, 0.0098633000000000 ] - [ 0.0583809700000000, -0.0365588100000000, 0.0087385000000000 ] - [ 0.0586045300000000, -0.0369405600000000, 0.0086447200000000 ] - [ 0.0583259400000000, -0.0362699400000000, 0.0087756200000000 ] - [ 0.0583570900000000, -0.0365005900000000, 0.0080676000000000 ] - [ 0.0583389500000000, -0.0364896700000000, 0.0087349400000000 ] - [ 0.0583283300000000, -0.0364680700000000, 0.0088392700000000 ] - [ -0.0614397700000000, -0.0328270300000000, -0.0098633000000000 ] - [ -0.0582963000000000, -0.0362019500000000, -0.0088088800000000 ] - [ -0.0586045300000000, -0.0369405600000000, -0.0086447200000000 ] - [ -0.0583809700000000, -0.0365588100000000, -0.0087385000000000 ] - [ -0.0583570900000000, -0.0365005900000000, -0.0080676000000000 ] - [ -0.0583259400000000, -0.0362699400000000, -0.0087756200000000 ] - [ -0.0583283300000000, -0.0364680700000000, -0.0088392700000000 ] - [ -0.0583389500000000, -0.0364896700000000, -0.0087349400000000 ] - [ -0.0583431000000000, 0.0362977400000000, -0.0086699300000000 ] - [ -0.0582345900000000, 0.0362611400000000, -0.0086971500000000 ] - [ -0.0581627900000000, 0.0363157500000000, -0.0090028400000000 ] - [ -0.0584944700000000, 0.0364900300000000, -0.0089072800000000 ] - [ -0.0582429000000000, 0.0361283500000000, -0.0090143500000000 ] - [ -0.0583133400000000, 0.0363308400000000, -0.0087515700000000 ] - [ -0.0582897200000000, 0.0362470800000000, -0.0082657500000000 ] - [ -0.0583625000000000, 0.0364621600000000, -0.0088046200000000 ] - [ 0.0583133400000000, 0.0363308400000000, 0.0087515700000000 ] - [ 0.0582429000000000, 0.0361283500000000, 0.0090143500000000 ] - [ 0.0583625000000000, 0.0364621600000000, 0.0088046200000000 ] - [ 0.0582897200000000, 0.0362470800000000, 0.0082657500000000 ] - [ 0.0582345900000000, 0.0362611400000000, 0.0086971500000000 ] - [ 0.0583431000000000, 0.0362977400000000, 0.0086699300000000 ] - [ 0.0584944700000000, 0.0364900300000000, 0.0089072800000000 ] - [ 0.0581627900000000, 0.0363157500000000, 0.0090028400000000 ] - [ -0.0006850400000000, -0.0650487600000000, 0.0032660700000000 ] - [ 0.0000902200000000, -0.0652057600000000, 0.0000034900000000 ] - [ 0.0001654000000000, -0.0645863400000000, -0.0002307200000000 ] - [ -0.0000600900000000, -0.0646989100000000, 0.0000234800000000 ] - [ 0.0006850400000000, -0.0650487600000000, -0.0032660700000000 ] - [ -0.0000902200000000, -0.0652057600000000, -0.0000034900000000 ] - [ -0.0001654000000000, -0.0645863400000000, 0.0002307200000000 ] - [ 0.0000600900000000, -0.0646989100000000, -0.0000234800000000 ] - [ 0.0000000000000000, 0.0666521600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0651179300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0694910200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0649078000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0648971500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0650099600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0651722300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0648050900000000, 0.0000000000000000 ] - [ -0.0001094700000000, -0.0648156100000000, -0.0002278800000000 ] - [ -0.0003646700000000, -0.0648248100000000, -0.0025645200000000 ] - [ -0.0000886200000000, -0.0647213500000000, -0.0000914700000000 ] - [ 0.0001302900000000, -0.0646065300000000, 0.0002415600000000 ] - [ 0.0003646700000000, -0.0648248100000000, 0.0025645200000000 ] - [ 0.0001094700000000, -0.0648156100000000, 0.0002278800000000 ] - [ -0.0001302900000000, -0.0646065300000000, -0.0002415600000000 ] - [ 0.0000886200000000, -0.0647213500000000, 0.0000914700000000 ] - [ 0.0009016300000000, 0.0624205700000000, -0.0003114900000000 ] - [ -0.0009016300000000, 0.0624205700000000, 0.0003114900000000 ] - [ -0.0002156400000000, 0.0652325800000000, 0.0000905400000000 ] - [ 0.0002156400000000, 0.0652325800000000, -0.0000905400000000 ] - [ -0.0002990600000000, 0.0649168600000000, 0.0004170900000000 ] - [ 0.0002990600000000, 0.0649168600000000, -0.0004170900000000 ] - [ -0.0000224900000000, 0.0650974800000000, 0.0000186300000000 ] - [ 0.0000224900000000, 0.0650974800000000, -0.0000186300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0202149000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014259700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018195800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016589000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013786700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015024800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017027800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016608100000000, 0.0000000000000000 ] - [ -0.0003483200000000, 0.0013996100000000, 0.0006733400000000 ] - [ 0.0000149200000000, 0.0015495800000000, 0.0000008900000000 ] - [ 0.0000441600000000, 0.0013625500000000, -0.0000510800000000 ] - [ -0.0000140100000000, 0.0015846500000000, 0.0000071300000000 ] - [ 0.0003483200000000, 0.0013996100000000, -0.0006733400000000 ] - [ -0.0000149200000000, 0.0015495800000000, -0.0000008900000000 ] - [ -0.0000441600000000, 0.0013625500000000, 0.0000510800000000 ] - [ 0.0000140100000000, 0.0015846500000000, -0.0000071300000000 ] - [ -0.0001677000000000, -0.0018750500000000, 0.0000117000000000 ] - [ 0.0001677000000000, -0.0018750500000000, -0.0000117000000000 ] - [ 0.0004408700000000, -0.0018740900000000, 0.0000936900000000 ] - [ -0.0004408700000000, -0.0018740900000000, -0.0000936900000000 ] - [ 0.0000007000000000, -0.0016275000000000, -0.0000639900000000 ] - [ -0.0000007000000000, -0.0016275000000000, 0.0000639900000000 ] - [ 0.0000944500000000, -0.0016270400000000, 0.0001662300000000 ] - [ -0.0000944500000000, -0.0016270400000000, -0.0001662300000000 ] - [ 0.0001189800000000, 0.0017771300000000, 0.0001077400000000 ] - [ -0.0004306000000000, 0.0017352200000000, -0.0007564000000000 ] - [ -0.0000225400000000, 0.0015115000000000, -0.0000187700000000 ] - [ 0.0000415800000000, 0.0014709000000000, 0.0000446900000000 ] - [ 0.0004306000000000, 0.0017352200000000, 0.0007564000000000 ] - [ -0.0001189800000000, 0.0017771300000000, -0.0001077400000000 ] - [ -0.0000415800000000, 0.0014709000000000, -0.0000446900000000 ] - [ 0.0000225400000000, 0.0015115000000000, 0.0000187700000000 ] - [ 0.0547443900000000, -0.0415986800000000, 0.0094930600000000 ] - [ 0.0578547300000000, -0.0365642500000000, 0.0089123800000000 ] - [ 0.0579752300000000, -0.0358628700000000, 0.0086919700000000 ] - [ 0.0583606100000000, -0.0363069900000000, 0.0087921700000000 ] - [ 0.0583067300000000, -0.0364472800000000, 0.0086647200000000 ] - [ 0.0584783800000000, -0.0366310900000000, 0.0083146800000000 ] - [ 0.0582669300000000, -0.0362536600000000, 0.0086972400000000 ] - [ 0.0583199600000000, -0.0363067500000000, 0.0088351800000000 ] - [ -0.0578547300000000, -0.0365642500000000, -0.0089123800000000 ] - [ -0.0547443900000000, -0.0415986800000000, -0.0094930600000000 ] - [ -0.0583606100000000, -0.0363069900000000, -0.0087921700000000 ] - [ -0.0579752300000000, -0.0358628700000000, -0.0086919700000000 ] - [ -0.0584783800000000, -0.0366310900000000, -0.0083146800000000 ] - [ -0.0583067300000000, -0.0364472800000000, -0.0086647200000000 ] - [ -0.0583199600000000, -0.0363067500000000, -0.0088351800000000 ] - [ -0.0582669300000000, -0.0362536600000000, -0.0086972400000000 ] - [ -0.0583939700000000, 0.0364003400000000, -0.0084897600000000 ] - [ -0.0581850200000000, 0.0358549900000000, -0.0087859500000000 ] - [ -0.0584065400000000, 0.0365476400000000, -0.0087612300000000 ] - [ -0.0583485300000000, 0.0365696300000000, -0.0087322500000000 ] - [ -0.0581563300000000, 0.0360661700000000, -0.0086007200000000 ] - [ -0.0582960300000000, 0.0361672100000000, -0.0086023600000000 ] - [ -0.0584048200000000, 0.0365617100000000, -0.0087519900000000 ] - [ -0.0583500600000000, 0.0365178800000000, -0.0087495100000000 ] - [ 0.0582960300000000, 0.0361672100000000, 0.0086023600000000 ] - [ 0.0581563300000000, 0.0360661700000000, 0.0086007200000000 ] - [ 0.0583500600000000, 0.0365178800000000, 0.0087495100000000 ] - [ 0.0584048200000000, 0.0365617100000000, 0.0087519900000000 ] - [ 0.0581850200000000, 0.0358549900000000, 0.0087859500000000 ] - [ 0.0583939700000000, 0.0364003400000000, 0.0084897600000000 ] - [ 0.0583485300000000, 0.0365696300000000, 0.0087322500000000 ] - [ 0.0584065400000000, 0.0365476400000000, 0.0087612300000000 ] - [ 0.0583373000000000, -0.0365914400000000, 0.0087029000000000 ] - [ 0.0550462200000000, -0.0401200000000000, 0.0076505700000000 ] - [ 0.0582521800000000, -0.0362335400000000, 0.0087732000000000 ] - [ 0.0580332100000000, -0.0358568700000000, 0.0088665000000000 ] - [ 0.0583078900000000, -0.0365238100000000, 0.0087362100000000 ] - [ 0.0582766100000000, -0.0362925600000000, 0.0094470400000000 ] - [ 0.0582944800000000, -0.0363027500000000, 0.0087768900000000 ] - [ 0.0583052500000000, -0.0363247700000000, 0.0086735300000000 ] - [ -0.0550462200000000, -0.0401200000000000, -0.0076505700000000 ] - [ -0.0583373000000000, -0.0365914400000000, -0.0087029000000000 ] - [ -0.0580332100000000, -0.0358568700000000, -0.0088665000000000 ] - [ -0.0582521800000000, -0.0362335400000000, -0.0087732000000000 ] - [ -0.0582766100000000, -0.0362925600000000, -0.0094470400000000 ] - [ -0.0583078900000000, -0.0365238100000000, -0.0087362100000000 ] - [ -0.0583052500000000, -0.0363247700000000, -0.0086735300000000 ] - [ -0.0582944800000000, -0.0363027500000000, -0.0087768900000000 ] - [ -0.0582911600000000, 0.0364964700000000, -0.0088420300000000 ] - [ -0.0584000200000000, 0.0365336100000000, -0.0088148700000000 ] - [ -0.0584711400000000, 0.0364775300000000, -0.0085096300000000 ] - [ -0.0581389900000000, 0.0363029800000000, -0.0086043400000000 ] - [ -0.0583906800000000, 0.0366639400000000, -0.0085010600000000 ] - [ -0.0583202100000000, 0.0364627100000000, -0.0087603100000000 ] - [ -0.0583428900000000, 0.0365476800000000, -0.0092477100000000 ] - [ -0.0582710800000000, 0.0363309200000000, -0.0087074800000000 ] - [ 0.0583202100000000, 0.0364627100000000, 0.0087603100000000 ] - [ 0.0583906800000000, 0.0366639400000000, 0.0085010600000000 ] - [ 0.0582710800000000, 0.0363309200000000, 0.0087074800000000 ] - [ 0.0583428900000000, 0.0365476800000000, 0.0092477100000000 ] - [ 0.0584000200000000, 0.0365336100000000, 0.0088148700000000 ] - [ 0.0582911600000000, 0.0364964700000000, 0.0088420300000000 ] - [ 0.0581389900000000, 0.0363029800000000, 0.0086043400000000 ] - [ 0.0584711400000000, 0.0364775300000000, 0.0085096300000000 ] - [ 0.0006899900000000, -0.0647402900000000, -0.0032779400000000 ] - [ -0.0000902100000000, -0.0645850300000000, -0.0000039600000000 ] - [ -0.0001631400000000, -0.0652047500000000, 0.0002288000000000 ] - [ 0.0000605900000000, -0.0650937600000000, -0.0000236800000000 ] - [ -0.0006899900000000, -0.0647402900000000, 0.0032779400000000 ] - [ 0.0000902100000000, -0.0645850300000000, 0.0000039600000000 ] - [ 0.0001631400000000, -0.0652047500000000, -0.0002288000000000 ] - [ -0.0000605900000000, -0.0650937600000000, 0.0000236800000000 ] - [ 0.0000000000000000, 0.0631592200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0646725800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0602483400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0648842300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0648933200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0647806500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0646185000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0649871600000000, 0.0000000000000000 ] - [ 0.0001114000000000, -0.0649772400000000, 0.0002276600000000 ] - [ 0.0003633200000000, -0.0649711800000000, 0.0025595900000000 ] - [ 0.0000890200000000, -0.0650704100000000, 0.0000913400000000 ] - [ -0.0001311600000000, -0.0651855000000000, -0.0002415400000000 ] - [ -0.0003633200000000, -0.0649711800000000, -0.0025595900000000 ] - [ -0.0001114000000000, -0.0649772400000000, -0.0002276600000000 ] - [ 0.0001311600000000, -0.0651855000000000, 0.0002415400000000 ] - [ -0.0000890200000000, -0.0650704100000000, -0.0000913400000000 ] - [ -0.0009095000000000, 0.0673722800000000, 0.0003118600000000 ] - [ 0.0009095000000000, 0.0673722800000000, -0.0003118600000000 ] - [ 0.0002156800000000, 0.0645594500000000, -0.0000903600000000 ] - [ -0.0002156800000000, 0.0645594500000000, 0.0000903600000000 ] - [ 0.0003001500000000, 0.0648759600000000, -0.0004294800000000 ] - [ -0.0003001500000000, 0.0648759600000000, 0.0004294800000000 ] - [ 0.0000229300000000, 0.0646940600000000, -0.0000183000000000 ] - [ -0.0000229300000000, 0.0646940600000000, 0.0000183000000000 ]- atom: 1 displacement: [ -0.0055508974371774, 0.0000000000000000, 0.0083179046425129 ] forces: - [ 0.0112916800000000, -0.0016158100000000, -0.0120056100000000 ] - [ -0.0000244800000000, -0.0015942900000000, 0.0001645600000000 ] - [ 0.0000259900000000, -0.0015939800000000, -0.0000131100000000 ] - [ -0.0000024400000000, -0.0015945500000000, -0.0000176300000000 ] - [ -0.0001478600000000, -0.0015942500000000, 0.0000987200000000 ] - [ 0.0001228700000000, -0.0015945900000000, 0.0000074300000000 ] - [ -0.0000005500000000, -0.0015944200000000, 0.0000137900000000 ] - [ 0.0000005500000000, -0.0015944200000000, 0.0000088200000000 ] - [ -0.0006126400000000, 0.0008438800000000, 0.0006660400000000 ] - [ 0.0000547600000000, 0.0016020400000000, 0.0000365600000000 ] - [ -0.0000044200000000, 0.0016612200000000, 0.0000085200000000 ] - [ -0.0000065400000000, 0.0015807800000000, -0.0000019900000000 ] - [ -0.0006187300000000, 0.0023553800000000, 0.0006740700000000 ] - [ 0.0000550400000000, 0.0015869700000000, 0.0000359700000000 ] - [ -0.0000042900000000, 0.0015273100000000, 0.0000082300000000 ] - [ -0.0000068200000000, 0.0016083900000000, -0.0000019900000000 ] - [ -0.0001321900000000, -0.0017625200000000, 0.0000276100000000 ] - [ -0.0001313300000000, -0.0014280100000000, 0.0000277900000000 ] - [ -0.0001714500000000, -0.0014914900000000, 0.0000019000000000 ] - [ -0.0001696900000000, -0.0016962300000000, 0.0000016500000000 ] - [ -0.0000039200000000, -0.0015087100000000, 0.0000285400000000 ] - [ -0.0000037700000000, -0.0016802000000000, 0.0000283500000000 ] - [ 0.0000207900000000, -0.0016484000000000, 0.0000448300000000 ] - [ 0.0000204500000000, -0.0015406200000000, 0.0000448400000000 ] - [ -0.0000935600000000, 0.0015710200000000, 0.0000918700000000 ] - [ 0.0004590000000000, 0.0019841700000000, -0.0000828700000000 ] - [ -0.0000070300000000, 0.0015977100000000, -0.0000015400000000 ] - [ 0.0000184200000000, 0.0015804600000000, -0.0000060700000000 ] - [ 0.0004596300000000, 0.0012047500000000, -0.0000859600000000 ] - [ -0.0000940500000000, 0.0016181600000000, 0.0000913000000000 ] - [ 0.0000184100000000, 0.0016086600000000, -0.0000063000000000 ] - [ -0.0000068700000000, 0.0015911800000000, -0.0000017500000000 ] - [ 0.0560858800000000, -0.0385944100000000, 0.0099430000000000 ] - [ 0.0587057700000000, -0.0365543400000000, 0.0084569900000000 ] - [ 0.0582778300000000, -0.0364501100000000, 0.0088285900000000 ] - [ 0.0583394900000000, -0.0363660800000000, 0.0087853100000000 ] - [ 0.0584808300000000, -0.0365561400000000, 0.0083653300000000 ] - [ 0.0578687100000000, -0.0359196000000000, 0.0087689300000000 ] - [ 0.0583279200000000, -0.0363882700000000, 0.0086953500000000 ] - [ 0.0583000400000000, -0.0364120500000000, 0.0087465700000000 ] - [ -0.0579237400000000, -0.0362377800000000, -0.0090562800000000 ] - [ -0.0605804100000000, -0.0341651400000000, -0.0075888700000000 ] - [ -0.0582927600000000, -0.0364262500000000, -0.0087273500000000 ] - [ -0.0583559100000000, -0.0363439700000000, -0.0086837900000000 ] - [ -0.0587634700000000, -0.0368730200000000, -0.0087443900000000 ] - [ -0.0581520900000000, -0.0362372200000000, -0.0091461100000000 ] - [ -0.0583326400000000, -0.0363809000000000, -0.0087655500000000 ] - [ -0.0583045900000000, -0.0364042500000000, -0.0088166700000000 ] - [ -0.0580837500000000, 0.0359995500000000, -0.0097041000000000 ] - [ -0.0588015700000000, 0.0366373600000000, -0.0061098000000000 ] - [ -0.0582825000000000, 0.0363432000000000, -0.0087849100000000 ] - [ -0.0583285300000000, 0.0363811000000000, -0.0087795500000000 ] - [ -0.0587048100000000, 0.0365114400000000, -0.0083417100000000 ] - [ -0.0579472500000000, 0.0362008100000000, -0.0087669800000000 ] - [ -0.0583459100000000, 0.0364294800000000, -0.0087257900000000 ] - [ -0.0583113200000000, 0.0364273700000000, -0.0087327100000000 ] - [ 0.0586821000000000, 0.0365900600000000, 0.0087432900000000 ] - [ 0.0579308900000000, 0.0362823500000000, 0.0091696400000000 ] - [ 0.0583213300000000, 0.0363654400000000, 0.0087786300000000 ] - [ 0.0582869200000000, 0.0363635500000000, 0.0087857300000000 ] - [ 0.0578606200000000, 0.0361749000000000, 0.0115812700000000 ] - [ 0.0585507900000000, 0.0367949400000000, 0.0078056000000000 ] - [ 0.0583040900000000, 0.0364117300000000, 0.0087326700000000 ] - [ 0.0583506300000000, 0.0364499900000000, 0.0087269500000000 ] - [ 0.0585071300000000, -0.0365308300000000, 0.0087207200000000 ] - [ 0.0557007400000000, -0.0375643400000000, 0.0089015100000000 ] - [ 0.0583408400000000, -0.0363801100000000, 0.0087763100000000 ] - [ 0.0582181100000000, -0.0363960400000000, 0.0087752100000000 ] - [ 0.0582057800000000, -0.0363089700000000, 0.0086737700000000 ] - [ 0.0585076200000000, -0.0366659900000000, 0.0082487200000000 ] - [ 0.0582888900000000, -0.0363887200000000, 0.0087264400000000 ] - [ 0.0583472200000000, -0.0364255700000000, 0.0087146300000000 ] - [ -0.0609107900000000, -0.0352687000000000, -0.0085985700000000 ] - [ -0.0581262600000000, -0.0362624500000000, -0.0087918700000000 ] - [ -0.0584141700000000, -0.0363951100000000, -0.0087378300000000 ] - [ -0.0582915200000000, -0.0364120600000000, -0.0087358700000000 ] - [ -0.0581254800000000, -0.0361259100000000, -0.0092656100000000 ] - [ -0.0584266700000000, -0.0364835700000000, -0.0088377000000000 ] - [ -0.0582859100000000, -0.0363673100000000, -0.0087972300000000 ] - [ -0.0583438500000000, -0.0364038300000000, -0.0087857500000000 ] - [ -0.0582530200000000, 0.0364155600000000, -0.0088545500000000 ] - [ -0.0584679400000000, 0.0365007100000000, -0.0086796100000000 ] - [ -0.0580031200000000, 0.0360171600000000, -0.0090388100000000 ] - [ -0.0583076300000000, 0.0364029200000000, -0.0086535400000000 ] - [ -0.0582741400000000, 0.0361968800000000, -0.0086161100000000 ] - [ -0.0583309900000000, 0.0364399000000000, -0.0087791000000000 ] - [ -0.0584534400000000, 0.0367965600000000, -0.0085918300000000 ] - [ -0.0583346100000000, 0.0364139900000000, -0.0087823400000000 ] - [ 0.0583014600000000, 0.0363527700000000, 0.0087325600000000 ] - [ 0.0583583200000000, 0.0365948700000000, 0.0088954100000000 ] - [ 0.0582981200000000, 0.0363790700000000, 0.0087296300000000 ] - [ 0.0581803100000000, 0.0359986900000000, 0.0089182400000000 ] - [ 0.0581640000000000, 0.0362915500000000, 0.0088326600000000 ] - [ 0.0583797500000000, 0.0363774300000000, 0.0086578700000000 ] - [ 0.0583252100000000, 0.0363898900000000, 0.0088588500000000 ] - [ 0.0586320300000000, 0.0367798300000000, 0.0084743600000000 ] - [ -0.0011124000000000, -0.0632049500000000, 0.0019529200000000 ] - [ 0.0000447300000000, -0.0648923500000000, 0.0000735700000000 ] - [ -0.0000885700000000, -0.0649403900000000, 0.0000318200000000 ] - [ 0.0000548800000000, -0.0648578100000000, -0.0000014200000000 ] - [ -0.0011218600000000, -0.0666079900000000, 0.0019597500000000 ] - [ 0.0000445900000000, -0.0648997100000000, 0.0000726000000000 ] - [ -0.0000891800000000, -0.0648514600000000, 0.0000305500000000 ] - [ 0.0000551800000000, -0.0649339300000000, -0.0000018100000000 ] - [ 0.0004975900000000, 0.0648937100000000, -0.0004346300000000 ] - [ -0.0000240400000000, 0.0648951900000000, 0.0000138700000000 ] - [ 0.0023486700000000, 0.0649041900000000, -0.0009398900000000 ] - [ -0.0001899400000000, 0.0648960800000000, 0.0000334800000000 ] - [ -0.0001003000000000, 0.0648960500000000, 0.0001725000000000 ] - [ 0.0001234500000000, 0.0648960900000000, 0.0000034900000000 ] - [ -0.0004728400000000, 0.0648949800000000, 0.0005681400000000 ] - [ 0.0002102100000000, 0.0648956600000000, -0.0001426700000000 ] - [ -0.0005738000000000, -0.0648587000000000, 0.0004839800000000 ] - [ 0.0021639000000000, -0.0664203800000000, -0.0019678800000000 ] - [ -0.0000309300000000, -0.0648033200000000, 0.0000215100000000 ] - [ 0.0000728900000000, -0.0648419300000000, -0.0000698100000000 ] - [ 0.0021686800000000, -0.0633699600000000, -0.0019775700000000 ] - [ -0.0005769500000000, -0.0649321500000000, 0.0004816000000000 ] - [ 0.0000731600000000, -0.0649499500000000, -0.0000707200000000 ] - [ -0.0000307600000000, -0.0649892100000000, 0.0000207700000000 ] - [ -0.0019345300000000, 0.0651357600000000, -0.0004213300000000 ] - [ -0.0019363300000000, 0.0646615600000000, -0.0004281900000000 ] - [ -0.0000440800000000, 0.0649414300000000, -0.0000750700000000 ] - [ -0.0000430300000000, 0.0648497400000000, -0.0000751000000000 ] - [ -0.0001812700000000, 0.0651828500000000, 0.0030483300000000 ] - [ -0.0001796500000000, 0.0646077200000000, 0.0030529600000000 ] - [ -0.0000004100000000, 0.0648778600000000, 0.0000836600000000 ] - [ -0.0000005900000000, 0.0649137500000000, 0.0000841500000000 ]- atom: 33 displacement: [ 0.0099999969834461, 0.0000000000000000, -0.0000077673077165 ] forces: - [ 0.0042012000000000, 0.0019628200000000, 0.0001591300000000 ] - [ -0.0006420500000000, -0.0011314100000000, 0.0000421800000000 ] - [ 0.0000696300000000, -0.0012533500000000, 0.0000008800000000 ] - [ -0.0000397900000000, -0.0016378600000000, 0.0000006100000000 ] - [ 0.0000611300000000, -0.0015854200000000, 0.0002385400000000 ] - [ 0.0000849800000000, -0.0017598500000000, -0.0004847700000000 ] - [ -0.0000008700000000, -0.0015449400000000, 0.0000129700000000 ] - [ 0.0000005600000000, -0.0015975200000000, -0.0000195300000000 ] - [ 0.0005235100000000, 0.0014634000000000, -0.0002111900000000 ] - [ -0.0000454100000000, 0.0016728200000000, 0.0002553400000000 ] - [ 0.0000140600000000, 0.0016264500000000, -0.0000061400000000 ] - [ -0.0000416800000000, 0.0016841800000000, 0.0000129200000000 ] - [ -0.0002184200000000, 0.0015748000000000, 0.0002933400000000 ] - [ -0.0002007500000000, 0.0014339700000000, -0.0006011900000000 ] - [ 0.0000009900000000, 0.0016277500000000, 0.0000060600000000 ] - [ 0.0000115200000000, 0.0016829800000000, -0.0000286200000000 ] - [ 0.0046680000000000, 0.0016738300000000, -0.0000509700000000 ] - [ -0.0003511400000000, -0.0016147300000000, -0.0000063000000000 ] - [ 0.0002171300000000, -0.0013081500000000, 0.0000263100000000 ] - [ -0.0000967100000000, -0.0015310800000000, -0.0000353300000000 ] - [ -0.0000856400000000, -0.0015515900000000, 0.0001748800000000 ] - [ -0.0000424200000000, -0.0015861200000000, -0.0001614500000000 ] - [ 0.0000213600000000, -0.0015834800000000, 0.0000508000000000 ] - [ -0.0000314100000000, -0.0015726700000000, -0.0000543400000000 ] - [ -0.0001753600000000, 0.0017489300000000, 0.0002620800000000 ] - [ -0.0000857800000000, 0.0014170000000000, -0.0000476000000000 ] - [ 0.0000396600000000, 0.0015691000000000, 0.0001017800000000 ] - [ -0.0001131500000000, 0.0016778900000000, -0.0002570500000000 ] - [ 0.0003264200000000, 0.0016204100000000, 0.0000526000000000 ] - [ -0.0000616800000000, 0.0015492200000000, -0.0000635900000000 ] - [ 0.0001304000000000, 0.0016699700000000, 0.0001374900000000 ] - [ -0.0000806300000000, 0.0015985100000000, -0.0000725900000000 ] - [ -0.0028081400000000, -0.0110274900000000, 0.0063075200000000 ] - [ 0.0588818400000000, -0.0364257200000000, 0.0087472900000000 ] - [ 0.0580642500000000, -0.0364018200000000, 0.0087313200000000 ] - [ 0.0590525100000000, -0.0370533700000000, 0.0085523200000000 ] - [ 0.0587008700000000, -0.0367156100000000, 0.0076244500000000 ] - [ 0.0584796600000000, -0.0363588600000000, 0.0092703900000000 ] - [ 0.0583317500000000, -0.0364404500000000, 0.0087047700000000 ] - [ 0.0583097400000000, -0.0364397600000000, 0.0088113300000000 ] - [ -0.0493922900000000, -0.0357815900000000, -0.0114114200000000 ] - [ -0.0570526900000000, -0.0360971300000000, -0.0084461200000000 ] - [ -0.0583006100000000, -0.0366545600000000, -0.0087830000000000 ] - [ -0.0584764300000000, -0.0364543000000000, -0.0087478700000000 ] - [ -0.0575399500000000, -0.0353964800000000, -0.0107660700000000 ] - [ -0.0583935900000000, -0.0363694100000000, -0.0086984800000000 ] - [ -0.0583412700000000, -0.0364614600000000, -0.0088072700000000 ] - [ -0.0582680900000000, -0.0364262900000000, -0.0087644600000000 ] - [ -0.0573413200000000, 0.0356237400000000, -0.0111363800000000 ] - [ -0.0576532900000000, 0.0367118100000000, -0.0069556400000000 ] - [ -0.0583235300000000, 0.0363607700000000, -0.0088441800000000 ] - [ -0.0582312200000000, 0.0361636000000000, -0.0086382300000000 ] - [ -0.0587968800000000, 0.0365349800000000, -0.0041078000000000 ] - [ -0.0582289400000000, 0.0364011200000000, -0.0088458200000000 ] - [ -0.0583871200000000, 0.0364124500000000, -0.0087427800000000 ] - [ -0.0585956000000000, 0.0366847800000000, -0.0087471800000000 ] - [ 0.0585730700000000, 0.0365125100000000, 0.0065583000000000 ] - [ 0.0584862100000000, 0.0365495800000000, 0.0087107500000000 ] - [ 0.0582695300000000, 0.0363322900000000, 0.0087280900000000 ] - [ 0.0583959800000000, 0.0363941700000000, 0.0089342900000000 ] - [ 0.0585639000000000, 0.0359620400000000, 0.0041494000000000 ] - [ 0.0584879500000000, 0.0362982900000000, 0.0095260700000000 ] - [ 0.0582700900000000, 0.0362169800000000, 0.0086332400000000 ] - [ 0.0583932300000000, 0.0362433300000000, 0.0088398600000000 ] - [ 0.0614688200000000, -0.0393369100000000, 0.0087565600000000 ] - [ 0.0584671400000000, -0.0361714000000000, 0.0087216600000000 ] - [ 0.0584644100000000, -0.0358908900000000, 0.0089514500000000 ] - [ 0.0614395100000000, -0.0399868900000000, 0.0078092900000000 ] - [ 0.0582001200000000, -0.0363618900000000, 0.0087759800000000 ] - [ 0.0583098700000000, -0.0364042300000000, 0.0087915100000000 ] - [ 0.0583096500000000, -0.0364850800000000, 0.0086915600000000 ] - [ 0.0582021400000000, -0.0362979800000000, 0.0089605700000000 ] - [ -0.0589184100000000, -0.0358769100000000, -0.0085898800000000 ] - [ -0.0577742900000000, -0.0360116100000000, -0.0089333400000000 ] - [ -0.0589127000000000, -0.0374344600000000, -0.0083893600000000 ] - [ -0.0577738100000000, -0.0357218600000000, -0.0088655200000000 ] - [ -0.0582389100000000, -0.0363895500000000, -0.0089511900000000 ] - [ -0.0582908300000000, -0.0365538400000000, -0.0084366900000000 ] - [ -0.0582405600000000, -0.0363046400000000, -0.0091730900000000 ] - [ -0.0582919000000000, -0.0364546900000000, -0.0085460900000000 ] - [ -0.0587026300000000, 0.0368196900000000, -0.0092444500000000 ] - [ -0.0581956900000000, 0.0362604200000000, -0.0085979400000000 ] - [ -0.0584753100000000, 0.0363712200000000, -0.0088062200000000 ] - [ -0.0582054400000000, 0.0362487800000000, -0.0087221200000000 ] - [ -0.0591991500000000, 0.0371693900000000, -0.0087801900000000 ] - [ -0.0582651900000000, 0.0366535600000000, -0.0085241600000000 ] - [ -0.0583932700000000, 0.0364784900000000, -0.0087824900000000 ] - [ -0.0586370200000000, 0.0367025100000000, -0.0084441900000000 ] - [ 0.0584919700000000, 0.0365128300000000, 0.0084853300000000 ] - [ 0.0581032200000000, 0.0359534300000000, 0.0091176400000000 ] - [ 0.0583559500000000, 0.0365346100000000, 0.0086008600000000 ] - [ 0.0583203000000000, 0.0364034100000000, 0.0087520800000000 ] - [ 0.0580999700000000, 0.0364422900000000, 0.0094609700000000 ] - [ 0.0584915000000000, 0.0363838700000000, 0.0085332400000000 ] - [ 0.0583193700000000, 0.0362389500000000, 0.0088840600000000 ] - [ 0.0583552700000000, 0.0363105100000000, 0.0087600500000000 ] - [ 0.0004341300000000, -0.0649387500000000, -0.0001936500000000 ] - [ -0.0000867000000000, -0.0650536300000000, 0.0002871000000000 ] - [ 0.0007553900000000, -0.0645213000000000, -0.0008461500000000 ] - [ -0.0002193700000000, -0.0648845700000000, 0.0003672400000000 ] - [ -0.0000635800000000, -0.0649847300000000, 0.0001704300000000 ] - [ -0.0002210900000000, -0.0646102200000000, -0.0010138100000000 ] - [ -0.0003252400000000, -0.0645800000000000, 0.0016218700000000 ] - [ -0.0000349100000000, -0.0651449500000000, -0.0002934700000000 ] - [ -0.0017660400000000, 0.0681479500000000, -0.0001326700000000 ] - [ -0.0008263300000000, 0.0637760800000000, 0.0000022000000000 ] - [ -0.0001428200000000, 0.0647845300000000, -0.0000569900000000 ] - [ -0.0012816000000000, 0.0651987000000000, 0.0003271000000000 ] - [ -0.0000207900000000, 0.0646951600000000, 0.0003728400000000 ] - [ 0.0001885700000000, 0.0651845800000000, -0.0004848200000000 ] - [ -0.0000261300000000, 0.0649087800000000, 0.0000738500000000 ] - [ 0.0000720200000000, 0.0650621300000000, -0.0000885700000000 ] - [ -0.0010421400000000, -0.0646707000000000, 0.0038350100000000 ] - [ -0.0005576200000000, -0.0646457600000000, -0.0007264000000000 ] - [ 0.0000710200000000, -0.0647791700000000, 0.0000999900000000 ] - [ -0.0000042600000000, -0.0646705900000000, -0.0000280400000000 ] - [ 0.0048887300000000, -0.0662834300000000, 0.0047147100000000 ] - [ -0.0001753400000000, -0.0648713700000000, -0.0000499900000000 ] - [ 0.0000944100000000, -0.0647748800000000, 0.0000105400000000 ] - [ -0.0002076400000000, -0.0647008800000000, 0.0001123100000000 ] - [ 0.0366938800000000, 0.0337247100000000, 0.0000577100000000 ] - [ -0.0010192800000000, 0.0643155800000000, 0.0002713300000000 ] - [ 0.0003113300000000, 0.0650637400000000, -0.0000192100000000 ] - [ -0.0003347400000000, 0.0647974200000000, 0.0000108800000000 ] - [ -0.0013745400000000, 0.0649102300000000, 0.0025427000000000 ] - [ 0.0001934300000000, 0.0649577800000000, -0.0013330400000000 ] - [ 0.0000175500000000, 0.0649609900000000, 0.0001441000000000 ] - [ -0.0000617300000000, 0.0649313900000000, -0.0001349300000000 ]- atom: 33 displacement: [ -0.0099999969834461, 0.0000000000000000, 0.0000077673077165 ] forces: - [ -0.0043864200000000, -0.0053422000000000, -0.0001643700000000 ] - [ 0.0006420500000000, -0.0020543500000000, -0.0000406800000000 ] - [ -0.0000740400000000, -0.0019367600000000, -0.0000003500000000 ] - [ 0.0000412500000000, -0.0015502200000000, -0.0000004800000000 ] - [ -0.0000610300000000, -0.0016043300000000, -0.0002383400000000 ] - [ -0.0000798600000000, -0.0014339500000000, 0.0004816100000000 ] - [ 0.0000009700000000, -0.0016438300000000, -0.0000134900000000 ] - [ -0.0000001900000000, -0.0015906200000000, 0.0000202300000000 ] - [ -0.0005171400000000, 0.0017248100000000, 0.0002330000000000 ] - [ 0.0000465800000000, 0.0015187300000000, -0.0002454100000000 ] - [ -0.0000143300000000, 0.0015622500000000, 0.0000058400000000 ] - [ 0.0000421900000000, 0.0015048200000000, -0.0000117900000000 ] - [ 0.0002189700000000, 0.0016152700000000, -0.0002969200000000 ] - [ 0.0002021700000000, 0.0017537000000000, 0.0005998000000000 ] - [ -0.0000013900000000, 0.0015605300000000, -0.0000068300000000 ] - [ -0.0000112100000000, 0.0015066700000000, 0.0000285100000000 ] - [ -0.0045764900000000, -0.0047166600000000, 0.0000443400000000 ] - [ 0.0003542800000000, -0.0015726300000000, 0.0000071100000000 ] - [ -0.0002153700000000, -0.0018789900000000, -0.0000256800000000 ] - [ 0.0000961600000000, -0.0016590800000000, 0.0000351900000000 ] - [ 0.0000813500000000, -0.0016323600000000, -0.0001738500000000 ] - [ 0.0000430700000000, -0.0016031900000000, 0.0001618800000000 ] - [ -0.0000211700000000, -0.0016059800000000, -0.0000505200000000 ] - [ 0.0000310900000000, -0.0016164400000000, 0.0000541400000000 ] - [ 0.0001741400000000, 0.0014394300000000, -0.0002598500000000 ] - [ 0.0000856500000000, 0.0017715100000000, 0.0000472000000000 ] - [ -0.0000395600000000, 0.0016204300000000, -0.0001023800000000 ] - [ 0.0001135000000000, 0.0015116700000000, 0.0002608100000000 ] - [ -0.0003237700000000, 0.0015671500000000, -0.0000520900000000 ] - [ 0.0000615900000000, 0.0016398900000000, 0.0000632900000000 ] - [ -0.0001315100000000, 0.0015214000000000, -0.0001374300000000 ] - [ 0.0000815500000000, 0.0015908900000000, 0.0000718600000000 ] - [ 0.1181702800000000, -0.0602436300000000, 0.0112912700000000 ] - [ 0.0577490700000000, -0.0363677900000000, 0.0087663900000000 ] - [ 0.0585681200000000, -0.0363924000000000, 0.0087798700000000 ] - [ 0.0575666200000000, -0.0357252900000000, 0.0089634000000000 ] - [ 0.0579417300000000, -0.0360823700000000, 0.0098808500000000 ] - [ 0.0581534100000000, -0.0364352600000000, 0.0082399200000000 ] - [ 0.0583020100000000, -0.0363534000000000, 0.0088071100000000 ] - [ 0.0583244600000000, -0.0363550200000000, 0.0086998800000000 ] - [ -0.0671063900000000, -0.0370364700000000, -0.0061277700000000 ] - [ -0.0595946900000000, -0.0367017000000000, -0.0090700400000000 ] - [ -0.0583344900000000, -0.0361387900000000, -0.0087296000000000 ] - [ -0.0581558100000000, -0.0363344500000000, -0.0087656200000000 ] - [ -0.0590824900000000, -0.0373612100000000, -0.0068219900000000 ] - [ -0.0582395800000000, -0.0364242100000000, -0.0088118700000000 ] - [ -0.0582923200000000, -0.0363318800000000, -0.0087044500000000 ] - [ -0.0583656000000000, -0.0363671200000000, -0.0087450100000000 ] - [ -0.0592861700000000, 0.0371711200000000, -0.0063789600000000 ] - [ -0.0589764800000000, 0.0360798600000000, -0.0105598100000000 ] - [ -0.0583102200000000, 0.0364324500000000, -0.0086678300000000 ] - [ -0.0584025300000000, 0.0366303700000000, -0.0088742000000000 ] - [ -0.0578103800000000, 0.0362176400000000, -0.0133738900000000 ] - [ -0.0584038000000000, 0.0363915200000000, -0.0086657300000000 ] - [ -0.0582460900000000, 0.0363794000000000, -0.0087693500000000 ] - [ -0.0580328100000000, 0.0361061100000000, -0.0087644700000000 ] - [ 0.0580801400000000, 0.0362659000000000, 0.0109374400000000 ] - [ 0.0581452500000000, 0.0362440600000000, 0.0087966800000000 ] - [ 0.0583638900000000, 0.0364604000000000, 0.0087839700000000 ] - [ 0.0582388500000000, 0.0363998600000000, 0.0085735800000000 ] - [ 0.0580750700000000, 0.0368318400000000, 0.0133895300000000 ] - [ 0.0581456700000000, 0.0364963000000000, 0.0079861000000000 ] - [ 0.0583644900000000, 0.0365769800000000, 0.0088791900000000 ] - [ 0.0582363000000000, 0.0365486900000000, 0.0086725400000000 ] - [ 0.0551487600000000, -0.0334501300000000, 0.0087526700000000 ] - [ 0.0581665200000000, -0.0366235900000000, 0.0087905800000000 ] - [ 0.0581635500000000, -0.0369007300000000, 0.0085590600000000 ] - [ 0.0551204300000000, -0.0327327600000000, 0.0097244200000000 ] - [ 0.0584312200000000, -0.0364294700000000, 0.0087363300000000 ] - [ 0.0583237600000000, -0.0363898500000000, 0.0087216800000000 ] - [ 0.0583236500000000, -0.0363112500000000, 0.0088188000000000 ] - [ 0.0584329600000000, -0.0364969000000000, 0.0085514600000000 ] - [ -0.0577082400000000, -0.0369029900000000, -0.0089193300000000 ] - [ -0.0588566900000000, -0.0367826500000000, -0.0085808500000000 ] - [ -0.0577028300000000, -0.0353725000000000, -0.0091179000000000 ] - [ -0.0588564600000000, -0.0370683500000000, -0.0086483600000000 ] - [ -0.0583928400000000, -0.0364014900000000, -0.0085608100000000 ] - [ -0.0583431300000000, -0.0362410100000000, -0.0090733100000000 ] - [ -0.0583941700000000, -0.0364906000000000, -0.0083320900000000 ] - [ -0.0583439800000000, -0.0363406400000000, -0.0089663500000000 ] - [ -0.0579321600000000, 0.0359715100000000, -0.0082601800000000 ] - [ -0.0584392800000000, 0.0365302800000000, -0.0089188700000000 ] - [ -0.0581591700000000, 0.0364227500000000, -0.0087056800000000 ] - [ -0.0584288600000000, 0.0365459100000000, -0.0087897400000000 ] - [ -0.0574253100000000, 0.0356147100000000, -0.0087364900000000 ] - [ -0.0583687000000000, 0.0361400700000000, -0.0089864100000000 ] - [ -0.0582399400000000, 0.0363160700000000, -0.0087302600000000 ] - [ -0.0579913400000000, 0.0360865900000000, -0.0090725900000000 ] - [ 0.0581412300000000, 0.0362775700000000, 0.0090232900000000 ] - [ 0.0585347700000000, 0.0368398700000000, 0.0083893500000000 ] - [ 0.0582790000000000, 0.0362589000000000, 0.0089103000000000 ] - [ 0.0583141600000000, 0.0363905000000000, 0.0087599300000000 ] - [ 0.0585308300000000, 0.0363495000000000, 0.0080485700000000 ] - [ 0.0581407100000000, 0.0364081100000000, 0.0089829200000000 ] - [ 0.0583131100000000, 0.0365535500000000, 0.0086292400000000 ] - [ 0.0582780700000000, 0.0364838200000000, 0.0087528900000000 ] - [ -0.0004312700000000, -0.0648550400000000, 0.0001861200000000 ] - [ 0.0000891800000000, -0.0647415000000000, -0.0002888100000000 ] - [ -0.0007573100000000, -0.0652718600000000, 0.0008388100000000 ] - [ 0.0002221300000000, -0.0649050200000000, -0.0003670900000000 ] - [ 0.0000660400000000, -0.0648099200000000, -0.0001750900000000 ] - [ 0.0002178800000000, -0.0651762900000000, 0.0010068600000000 ] - [ 0.0003276300000000, -0.0652093900000000, -0.0016548600000000 ] - [ 0.0000427200000000, -0.0646441900000000, 0.0002900900000000 ] - [ 0.0017916100000000, 0.0615717900000000, 0.0001504000000000 ] - [ 0.0008278900000000, 0.0660067300000000, 0.0000027600000000 ] - [ 0.0001336700000000, 0.0650035300000000, 0.0000623000000000 ] - [ 0.0012886000000000, 0.0645880500000000, -0.0003150300000000 ] - [ 0.0000188200000000, 0.0650990200000000, -0.0003750800000000 ] - [ -0.0001849100000000, 0.0646157800000000, 0.0004955000000000 ] - [ 0.0000224700000000, 0.0648829700000000, -0.0000697500000000 ] - [ -0.0000721500000000, 0.0647307800000000, 0.0000909900000000 ] - [ 0.0010434000000000, -0.0651165300000000, -0.0038214600000000 ] - [ 0.0005615300000000, -0.0651433800000000, 0.0007310600000000 ] - [ -0.0000676600000000, -0.0650130600000000, -0.0001033500000000 ] - [ 0.0000050900000000, -0.0651226500000000, 0.0000272700000000 ] - [ -0.0049166100000000, -0.0635508400000000, -0.0047207700000000 ] - [ 0.0001776300000000, -0.0649213000000000, 0.0000419200000000 ] - [ -0.0000916900000000, -0.0650173600000000, -0.0000142200000000 ] - [ 0.0002118900000000, -0.0650907600000000, -0.0001252300000000 ] - [ -0.0354691600000000, 0.0947138100000000, -0.0001038200000000 ] - [ 0.0010195900000000, 0.0654858500000000, -0.0002656500000000 ] - [ -0.0003110400000000, 0.0647290200000000, 0.0000236800000000 ] - [ 0.0003454900000000, 0.0649761400000000, -0.0000031000000000 ] - [ 0.0013378600000000, 0.0648545000000000, -0.0025443900000000 ] - [ -0.0001965800000000, 0.0648332900000000, 0.0013370200000000 ] - [ -0.0000207200000000, 0.0648312600000000, -0.0001403200000000 ] - [ 0.0000597400000000, 0.0648627200000000, 0.0001394900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042990200000000, 0.0036015100000000, 0.0002558400000000 ] - [ 0.0002472600000000, -0.0014304000000000, -0.0000236300000000 ] - [ 0.0000686800000000, -0.0021317000000000, -0.0000176300000000 ] - [ -0.0000313900000000, -0.0016851000000000, 0.0000150600000000 ] - [ 0.0000059500000000, -0.0015452000000000, -0.0001874200000000 ] - [ -0.0002683900000000, -0.0013622000000000, 0.0003916100000000 ] - [ -0.0000060000000000, -0.0017383800000000, 0.0000056000000000 ] - [ 0.0000045600000000, -0.0016851800000000, -0.0000155700000000 ] - [ -0.0002004400000000, 0.0021314100000000, 0.0001550200000000 ] - [ -0.0000165900000000, 0.0015918100000000, -0.0004858700000000 ] - [ -0.0000029300000000, 0.0014197200000000, -0.0000200900000000 ] - [ 0.0000420600000000, 0.0014417300000000, -0.0000355400000000 ] - [ 0.0001330700000000, 0.0018241400000000, -0.0001447800000000 ] - [ 0.0000048800000000, 0.0019238100000000, 0.0001411100000000 ] - [ -0.0000134100000000, 0.0014708400000000, 0.0000278100000000 ] - [ -0.0000181000000000, 0.0014281300000000, 0.0000274800000000 ] - [ 0.0022899900000000, 0.0021333600000000, 0.0000900000000000 ] - [ 0.0002740400000000, -0.0013981600000000, 0.0000213500000000 ] - [ 0.0000147700000000, -0.0021372300000000, 0.0000097200000000 ] - [ 0.0000154700000000, -0.0017590700000000, 0.0000297200000000 ] - [ 0.0001640700000000, -0.0016966500000000, -0.0002137500000000 ] - [ 0.0000509100000000, -0.0014681100000000, 0.0001392000000000 ] - [ -0.0000092000000000, -0.0016681600000000, -0.0000411300000000 ] - [ 0.0000112700000000, -0.0016895600000000, 0.0000167600000000 ] - [ 0.0001634500000000, 0.0015109400000000, -0.0003470600000000 ] - [ -0.0000228600000000, 0.0016855400000000, -0.0000073800000000 ] - [ -0.0001358700000000, 0.0014940100000000, -0.0000677600000000 ] - [ 0.0001214900000000, 0.0014570000000000, 0.0002084400000000 ] - [ -0.0001883100000000, 0.0014412400000000, 0.0003521200000000 ] - [ 0.0000501500000000, 0.0016581700000000, 0.0000544200000000 ] - [ -0.0000436400000000, 0.0013256700000000, -0.0002697200000000 ] - [ 0.0000652000000000, 0.0015274600000000, 0.0000952000000000 ] - [ 0.0823337300000000, -0.0874109600000000, 0.0115591900000000 ] - [ 0.0582867900000000, -0.0367238300000000, 0.0087456200000000 ] - [ 0.0583107900000000, -0.0357565400000000, 0.0087752200000000 ] - [ 0.0576435200000000, -0.0351172300000000, 0.0089076300000000 ] - [ 0.0580037600000000, -0.0363478500000000, 0.0092407200000000 ] - [ 0.0583537400000000, -0.0366694500000000, 0.0086247600000000 ] - [ 0.0582721500000000, -0.0362403100000000, 0.0088336400000000 ] - [ 0.0582735200000000, -0.0362126100000000, 0.0087673600000000 ] - [ -0.0589411300000000, -0.0431775800000000, -0.0080667500000000 ] - [ -0.0586115600000000, -0.0368141300000000, -0.0088493600000000 ] - [ -0.0580558100000000, -0.0360761000000000, -0.0087372400000000 ] - [ -0.0582537500000000, -0.0364712500000000, -0.0087666000000000 ] - [ -0.0592904400000000, -0.0383087300000000, -0.0042010600000000 ] - [ -0.0583434700000000, -0.0365830000000000, -0.0087689700000000 ] - [ -0.0582509000000000, -0.0362172300000000, -0.0087097300000000 ] - [ -0.0582864200000000, -0.0362470100000000, -0.0087542300000000 ] - [ -0.0590843900000000, 0.0362267600000000, -0.0082447000000000 ] - [ -0.0579972100000000, 0.0359635500000000, -0.0085238800000000 ] - [ -0.0583513100000000, 0.0365585200000000, -0.0086755300000000 ] - [ -0.0585496900000000, 0.0367988200000000, -0.0088706700000000 ] - [ -0.0581429400000000, 0.0349940600000000, -0.0129663800000000 ] - [ -0.0583104200000000, 0.0362518700000000, -0.0087489500000000 ] - [ -0.0582988700000000, 0.0365673200000000, -0.0087311700000000 ] - [ -0.0580246600000000, 0.0363556100000000, -0.0088526300000000 ] - [ 0.0587555000000000, 0.0351286300000000, 0.0105469500000000 ] - [ 0.0584136600000000, 0.0362088400000000, 0.0089106300000000 ] - [ 0.0584959300000000, 0.0366659600000000, 0.0087427600000000 ] - [ 0.0584686200000000, 0.0365985000000000, 0.0087363400000000 ] - [ 0.0581893300000000, 0.0351368200000000, 0.0062037100000000 ] - [ 0.0581630500000000, 0.0362088400000000, 0.0086460000000000 ] - [ 0.0583799000000000, 0.0366662300000000, 0.0089037200000000 ] - [ 0.0583170300000000, 0.0365982100000000, 0.0086946400000000 ] - [ 0.0546790000000000, -0.0327647300000000, 0.0086943400000000 ] - [ 0.0588183700000000, -0.0364470100000000, 0.0085434800000000 ] - [ 0.0585419900000000, -0.0364514400000000, 0.0086360700000000 ] - [ 0.0553389300000000, -0.0327392000000000, 0.0095482200000000 ] - [ 0.0584141800000000, -0.0364609500000000, 0.0088533700000000 ] - [ 0.0582293500000000, -0.0362568200000000, 0.0091002700000000 ] - [ 0.0583086800000000, -0.0362584500000000, 0.0089705200000000 ] - [ 0.0583506300000000, -0.0364646600000000, 0.0082680300000000 ] - [ -0.0572937000000000, -0.0339679000000000, -0.0082985100000000 ] - [ -0.0589880100000000, -0.0370736900000000, -0.0085587200000000 ] - [ -0.0588287100000000, -0.0339300100000000, -0.0095972300000000 ] - [ -0.0586987200000000, -0.0370701000000000, -0.0085315800000000 ] - [ -0.0584075800000000, -0.0364414800000000, -0.0086790700000000 ] - [ -0.0582594800000000, -0.0362401700000000, -0.0090307400000000 ] - [ -0.0583223100000000, -0.0364446200000000, -0.0085438500000000 ] - [ -0.0581606000000000, -0.0362411000000000, -0.0087376400000000 ] - [ -0.0578915100000000, 0.0367456000000000, -0.0100723900000000 ] - [ -0.0584509100000000, 0.0366147800000000, -0.0084647000000000 ] - [ -0.0583416900000000, 0.0365704000000000, -0.0084815800000000 ] - [ -0.0584650000000000, 0.0365919400000000, -0.0087249300000000 ] - [ -0.0575332800000000, 0.0355897300000000, -0.0086574000000000 ] - [ -0.0580601300000000, 0.0361509100000000, -0.0088566800000000 ] - [ -0.0582345900000000, 0.0363444300000000, -0.0089538100000000 ] - [ -0.0580056600000000, 0.0361924100000000, -0.0091164100000000 ] - [ 0.0583268700000000, 0.0363795300000000, 0.0089582000000000 ] - [ 0.0582702600000000, 0.0366231100000000, 0.0083741300000000 ] - [ 0.0584039800000000, 0.0363108700000000, 0.0090622400000000 ] - [ 0.0584730800000000, 0.0365352500000000, 0.0088664100000000 ] - [ 0.0587590500000000, 0.0366223100000000, 0.0095345300000000 ] - [ 0.0581972900000000, 0.0363803700000000, 0.0086508500000000 ] - [ 0.0583086600000000, 0.0365344900000000, 0.0085322400000000 ] - [ 0.0581786900000000, 0.0363119900000000, 0.0088110900000000 ] - [ -0.0001272000000000, -0.0651372200000000, -0.0013141800000000 ] - [ 0.0001326500000000, -0.0646596500000000, -0.0004760000000000 ] - [ -0.0001606800000000, -0.0656005300000000, 0.0014184800000000 ] - [ 0.0002689100000000, -0.0650768500000000, -0.0004186000000000 ] - [ 0.0000307400000000, -0.0646028300000000, 0.0003187100000000 ] - [ 0.0001268500000000, -0.0650031300000000, 0.0012885900000000 ] - [ 0.0002323500000000, -0.0652331400000000, -0.0015471300000000 ] - [ -0.0005874300000000, -0.0651592600000000, 0.0002982200000000 ] - [ 0.0020463400000000, 0.0628465200000000, 0.0000610500000000 ] - [ 0.0002312700000000, 0.0660074600000000, -0.0000188500000000 ] - [ -0.0013338000000000, 0.0643404900000000, 0.0003336500000000 ] - [ 0.0012353200000000, 0.0642873500000000, -0.0004094400000000 ] - [ 0.0000056000000000, 0.0653191400000000, 0.0007333900000000 ] - [ -0.0002369500000000, 0.0646396300000000, -0.0007660200000000 ] - [ 0.0001639200000000, 0.0646850200000000, -0.0002637100000000 ] - [ -0.0001489500000000, 0.0646579100000000, 0.0000872700000000 ] - [ 0.0004864700000000, -0.0642014100000000, -0.0014496300000000 ] - [ -0.0000060100000000, -0.0644156200000000, 0.0004151700000000 ] - [ -0.0001097100000000, -0.0652212400000000, -0.0000839200000000 ] - [ 0.0000676700000000, -0.0652449800000000, -0.0001671900000000 ] - [ -0.0008719200000000, -0.0573616900000000, -0.0024622800000000 ] - [ 0.0001665600000000, -0.0646081500000000, 0.0000950800000000 ] - [ -0.0000425200000000, -0.0652612100000000, 0.0000545100000000 ] - [ 0.0000520900000000, -0.0652029700000000, -0.0000278400000000 ] - [ -0.0280920100000000, 0.1033010300000000, -0.0007225200000000 ] - [ 0.0002814700000000, 0.0654612900000000, -0.0001694000000000 ] - [ -0.0005013600000000, 0.0642503300000000, -0.0000168700000000 ] - [ 0.0000383700000000, 0.0641323700000000, -0.0000040600000000 ] - [ 0.0019656300000000, 0.0662270800000000, 0.0007032400000000 ] - [ 0.0000528200000000, 0.0650662300000000, -0.0000428100000000 ] - [ -0.0000160700000000, 0.0646618700000000, -0.0001854500000000 ] - [ 0.0000552100000000, 0.0646342400000000, 0.0001096700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044601000000000, -0.0068953300000000, -0.0002635800000000 ] - [ -0.0002472500000000, -0.0017626600000000, 0.0000266700000000 ] - [ -0.0000695700000000, -0.0010603400000000, 0.0000176400000000 ] - [ 0.0000324800000000, -0.0015031900000000, -0.0000150100000000 ] - [ -0.0000067700000000, -0.0016448000000000, 0.0001874900000000 ] - [ 0.0002738100000000, -0.0018304800000000, -0.0003930800000000 ] - [ 0.0000058700000000, -0.0014506700000000, -0.0000057000000000 ] - [ -0.0000043100000000, -0.0015030700000000, 0.0000159900000000 ] - [ 0.0002022300000000, 0.0010538500000000, -0.0001331200000000 ] - [ 0.0000186300000000, 0.0016009200000000, 0.0004941000000000 ] - [ 0.0000026400000000, 0.0017682200000000, 0.0000206100000000 ] - [ -0.0000416600000000, 0.0017462200000000, 0.0000366000000000 ] - [ -0.0001354700000000, 0.0013684100000000, 0.0001440000000000 ] - [ -0.0000044200000000, 0.0012657700000000, -0.0001405400000000 ] - [ 0.0000132900000000, 0.0017166900000000, -0.0000287500000000 ] - [ 0.0000180200000000, 0.0017604700000000, -0.0000280900000000 ] - [ -0.0021215400000000, -0.0051574100000000, -0.0000929900000000 ] - [ -0.0002713000000000, -0.0017854700000000, -0.0000204500000000 ] - [ -0.0000152000000000, -0.0010512400000000, -0.0000093500000000 ] - [ -0.0000159100000000, -0.0014317800000000, -0.0000298000000000 ] - [ -0.0001679300000000, -0.0014861500000000, 0.0002138600000000 ] - [ -0.0000502100000000, -0.0017196800000000, -0.0001380900000000 ] - [ 0.0000091700000000, -0.0015222900000000, 0.0000411300000000 ] - [ -0.0000113800000000, -0.0015000800000000, -0.0000166800000000 ] - [ -0.0001655800000000, 0.0016755600000000, 0.0003502700000000 ] - [ 0.0000226900000000, 0.0015015900000000, 0.0000072700000000 ] - [ 0.0001354100000000, 0.0016955600000000, 0.0000676700000000 ] - [ -0.0001205900000000, 0.0017322700000000, -0.0002047100000000 ] - [ 0.0001900500000000, 0.0017450400000000, -0.0003546200000000 ] - [ -0.0000501800000000, 0.0015297700000000, -0.0000543600000000 ] - [ 0.0000427700000000, 0.0018641300000000, 0.0002662600000000 ] - [ -0.0000643500000000, 0.0016619300000000, -0.0000958700000000 ] - [ 0.0331197100000000, 0.0152673400000000, 0.0060205300000000 ] - [ 0.0583456400000000, -0.0360695800000000, 0.0087645500000000 ] - [ 0.0583211400000000, -0.0370340700000000, 0.0087386600000000 ] - [ 0.0589722600000000, -0.0376594300000000, 0.0086091500000000 ] - [ 0.0586370200000000, -0.0364491800000000, 0.0082711000000000 ] - [ 0.0582785400000000, -0.0361243400000000, 0.0088893600000000 ] - [ 0.0583599000000000, -0.0365521600000000, 0.0086779700000000 ] - [ 0.0583590800000000, -0.0365802600000000, 0.0087439000000000 ] - [ -0.0576878200000000, -0.0295627300000000, -0.0094513800000000 ] - [ -0.0580078100000000, -0.0359712800000000, -0.0086611300000000 ] - [ -0.0585725600000000, -0.0367138200000000, -0.0087760000000000 ] - [ -0.0583741900000000, -0.0363156700000000, -0.0087475600000000 ] - [ -0.0573335700000000, -0.0344553400000000, -0.0133714700000000 ] - [ -0.0582894100000000, -0.0362113300000000, -0.0087436300000000 ] - [ -0.0583813000000000, -0.0365751000000000, -0.0088009200000000 ] - [ -0.0583464500000000, -0.0365452700000000, -0.0087556000000000 ] - [ -0.0575385400000000, 0.0365639700000000, -0.0092817900000000 ] - [ -0.0586304700000000, 0.0368297600000000, -0.0089764000000000 ] - [ -0.0582808900000000, 0.0362337300000000, -0.0088365800000000 ] - [ -0.0580833000000000, 0.0359955600000000, -0.0086440300000000 ] - [ -0.0584551200000000, 0.0377823800000000, -0.0045403200000000 ] - [ -0.0583207300000000, 0.0365397300000000, -0.0087642700000000 ] - [ -0.0583328400000000, 0.0362247000000000, -0.0087789700000000 ] - [ -0.0586041800000000, 0.0364351600000000, -0.0086586300000000 ] - [ 0.0578839900000000, 0.0376552600000000, 0.0069584000000000 ] - [ 0.0582165200000000, 0.0365842600000000, 0.0085990100000000 ] - [ 0.0581368200000000, 0.0361269700000000, 0.0087676200000000 ] - [ 0.0581643000000000, 0.0361952500000000, 0.0087717900000000 ] - [ 0.0584410300000000, 0.0376634700000000, 0.0112910800000000 ] - [ 0.0584697200000000, 0.0365841300000000, 0.0088682000000000 ] - [ 0.0582526800000000, 0.0361272200000000, 0.0086100400000000 ] - [ 0.0583125700000000, 0.0361949500000000, 0.0088180400000000 ] - [ 0.0619338400000000, -0.0400078400000000, 0.0088155200000000 ] - [ 0.0578098500000000, -0.0363361900000000, 0.0089701100000000 ] - [ 0.0580906300000000, -0.0363405000000000, 0.0088765000000000 ] - [ 0.0612257000000000, -0.0399827400000000, 0.0079864100000000 ] - [ 0.0582161500000000, -0.0363277200000000, 0.0086577700000000 ] - [ 0.0584035300000000, -0.0365360000000000, 0.0084110600000000 ] - [ 0.0583235900000000, -0.0365375200000000, 0.0085400700000000 ] - [ 0.0582845400000000, -0.0363312400000000, 0.0092394200000000 ] - [ -0.0593577700000000, -0.0388586700000000, -0.0092141400000000 ] - [ -0.0576427900000000, -0.0357179300000000, -0.0089567400000000 ] - [ -0.0578019400000000, -0.0388203500000000, -0.0079271500000000 ] - [ -0.0579286400000000, -0.0357141200000000, -0.0089839000000000 ] - [ -0.0582226700000000, -0.0363478700000000, -0.0088321600000000 ] - [ -0.0583739300000000, -0.0365526100000000, -0.0084791100000000 ] - [ -0.0583114900000000, -0.0363508400000000, -0.0089624800000000 ] - [ -0.0584740700000000, -0.0365534100000000, -0.0087722400000000 ] - [ -0.0587383800000000, 0.0360420600000000, -0.0074401800000000 ] - [ -0.0581823200000000, 0.0361743300000000, -0.0090499400000000 ] - [ -0.0582916300000000, 0.0362235400000000, -0.0090320000000000 ] - [ -0.0581689400000000, 0.0362035200000000, -0.0087868300000000 ] - [ -0.0590889100000000, 0.0371903500000000, -0.0088529700000000 ] - [ -0.0585743800000000, 0.0366395100000000, -0.0086548600000000 ] - [ -0.0583975500000000, 0.0364504800000000, -0.0085573300000000 ] - [ -0.0586218400000000, 0.0365976400000000, -0.0084010200000000 ] - [ 0.0583033200000000, 0.0364092300000000, 0.0085504000000000 ] - [ 0.0583643700000000, 0.0361690700000000, 0.0091288800000000 ] - [ 0.0582312000000000, 0.0364833200000000, 0.0084492800000000 ] - [ 0.0581595200000000, 0.0362597200000000, 0.0086454300000000 ] - [ 0.0578721700000000, 0.0361682900000000, 0.0079841400000000 ] - [ 0.0584336800000000, 0.0364099800000000, 0.0088635500000000 ] - [ 0.0583231200000000, 0.0362590000000000, 0.0089811500000000 ] - [ 0.0584549800000000, 0.0364845200000000, 0.0087011400000000 ] - [ 0.0001294600000000, -0.0646574600000000, 0.0013138700000000 ] - [ -0.0001292200000000, -0.0651373700000000, 0.0004758900000000 ] - [ 0.0001557400000000, -0.0641914000000000, -0.0014066300000000 ] - [ -0.0002654000000000, -0.0647123500000000, 0.0004207500000000 ] - [ -0.0000293400000000, -0.0651959000000000, -0.0003262900000000 ] - [ -0.0001286200000000, -0.0647866200000000, -0.0012982900000000 ] - [ -0.0002285600000000, -0.0645573300000000, 0.0015124200000000 ] - [ 0.0005923700000000, -0.0646318800000000, -0.0003025600000000 ] - [ -0.0020250600000000, 0.0669092300000000, -0.0000465600000000 ] - [ -0.0002380300000000, 0.0637739300000000, 0.0000240600000000 ] - [ 0.0013456800000000, 0.0654390100000000, -0.0003320100000000 ] - [ -0.0012299600000000, 0.0654920400000000, 0.0004221700000000 ] - [ -0.0000093500000000, 0.0644785600000000, -0.0007299500000000 ] - [ 0.0002418700000000, 0.0651626700000000, 0.0007697400000000 ] - [ -0.0001691000000000, 0.0651049600000000, 0.0002696100000000 ] - [ 0.0001491800000000, 0.0651319700000000, -0.0000848900000000 ] - [ -0.0004956700000000, -0.0655806900000000, 0.0014518300000000 ] - [ 0.0000083500000000, -0.0653689900000000, -0.0004218800000000 ] - [ 0.0001116700000000, -0.0645727800000000, 0.0000826600000000 ] - [ -0.0000662800000000, -0.0645503800000000, 0.0001671300000000 ] - [ 0.0008789900000000, -0.0724332300000000, 0.0024698000000000 ] - [ -0.0001630000000000, -0.0651813500000000, -0.0000977100000000 ] - [ 0.0000458100000000, -0.0645324700000000, -0.0000623000000000 ] - [ -0.0000471200000000, -0.0645914800000000, 0.0000146700000000 ] - [ 0.0292586200000000, 0.0257119600000000, 0.0006953800000000 ] - [ -0.0002882300000000, 0.0643195400000000, 0.0001771800000000 ] - [ 0.0004924500000000, 0.0655373000000000, 0.0000209400000000 ] - [ -0.0000294200000000, 0.0656386100000000, 0.0000107600000000 ] - [ -0.0019969400000000, 0.0635512900000000, -0.0006880000000000 ] - [ -0.0000542500000000, 0.0647265100000000, 0.0000400800000000 ] - [ 0.0000128000000000, 0.0651304000000000, 0.0001884700000000 ] - [ -0.0000574800000000, 0.0651586700000000, -0.0001035500000000 ]- atom: 33 displacement: [ -0.0055508974371774, 0.0000000000000000, 0.0083179046425129 ] forces: - [ -0.0032814700000000, -0.0042516200000000, 0.0004907300000000 ] - [ 0.0004451500000000, -0.0019802000000000, -0.0002652100000000 ] - [ -0.0001016500000000, -0.0017317900000000, 0.0000324300000000 ] - [ 0.0000231600000000, -0.0016004700000000, 0.0000290200000000 ] - [ 0.0000133100000000, -0.0015233800000000, -0.0004911900000000 ] - [ -0.0006150400000000, -0.0011369300000000, -0.0000958700000000 ] - [ 0.0000117200000000, -0.0015733300000000, -0.0000608000000000 ] - [ -0.0000067200000000, -0.0016584300000000, -0.0000027300000000 ] - [ -0.0004124600000000, 0.0017040200000000, 0.0026842700000000 ] - [ -0.0001665500000000, 0.0013311800000000, -0.0012181600000000 ] - [ -0.0000143400000000, 0.0015565900000000, -0.0000243900000000 ] - [ 0.0000327900000000, 0.0015484700000000, -0.0000298100000000 ] - [ 0.0003559100000000, 0.0014781600000000, -0.0000187900000000 ] - [ -0.0002451800000000, 0.0015545100000000, 0.0005091000000000 ] - [ -0.0000137300000000, 0.0015696800000000, 0.0000109000000000 ] - [ -0.0000053700000000, 0.0015416200000000, 0.0000467200000000 ] - [ -0.0018877400000000, -0.0024243500000000, 0.0006321000000000 ] - [ 0.0001612000000000, -0.0015371800000000, -0.0000556800000000 ] - [ -0.0000763700000000, -0.0018467400000000, 0.0000333500000000 ] - [ 0.0000450100000000, -0.0016449500000000, 0.0000343800000000 ] - [ 0.0005320800000000, -0.0021920000000000, -0.0002825900000000 ] - [ -0.0000668500000000, -0.0015823600000000, -0.0000528400000000 ] - [ 0.0000358500000000, -0.0015315000000000, -0.0000378600000000 ] - [ -0.0000166900000000, -0.0016242500000000, -0.0000221700000000 ] - [ 0.0005049600000000, 0.0013044500000000, -0.0001567400000000 ] - [ -0.0000913500000000, 0.0015665500000000, 0.0000366500000000 ] - [ 0.0001726000000000, 0.0016801000000000, -0.0000254000000000 ] - [ -0.0001091000000000, 0.0015972800000000, 0.0001072900000000 ] - [ -0.0001425500000000, 0.0019870700000000, 0.0001617000000000 ] - [ 0.0000472500000000, 0.0015790600000000, 0.0000177800000000 ] - [ -0.0000480800000000, 0.0013387100000000, 0.0000805900000000 ] - [ 0.0000164600000000, 0.0015957500000000, -0.0000025000000000 ] - [ 0.0896057700000000, -0.0475767800000000, -0.0279157500000000 ] - [ 0.0579928900000000, -0.0363877700000000, 0.0089000200000000 ] - [ 0.0584345600000000, -0.0363777100000000, 0.0086592700000000 ] - [ 0.0577214700000000, -0.0358932100000000, 0.0088504500000000 ] - [ 0.0571665600000000, -0.0358150300000000, 0.0102353300000000 ] - [ 0.0586543100000000, -0.0365284500000000, 0.0089200100000000 ] - [ 0.0582647500000000, -0.0363067400000000, 0.0088480200000000 ] - [ 0.0583662000000000, -0.0363625300000000, 0.0087816700000000 ] - [ -0.0654131100000000, -0.0373340800000000, -0.0070787400000000 ] - [ -0.0587624500000000, -0.0364875900000000, -0.0089495800000000 ] - [ -0.0583464300000000, -0.0362681600000000, -0.0087567400000000 ] - [ -0.0582174200000000, -0.0363526000000000, -0.0087825600000000 ] - [ -0.0603877400000000, -0.0407665600000000, 0.0014276100000000 ] - [ -0.0582260600000000, -0.0364014100000000, -0.0084309700000000 ] - [ -0.0583447300000000, -0.0363974000000000, -0.0087428000000000 ] - [ -0.0583512700000000, -0.0363799700000000, -0.0087318200000000 ] - [ -0.0608372500000000, 0.0372594400000000, -0.0054819500000000 ] - [ -0.0571800300000000, 0.0364097300000000, -0.0081160900000000 ] - [ -0.0583855500000000, 0.0364835100000000, -0.0086591600000000 ] - [ -0.0582650500000000, 0.0364322100000000, -0.0087149800000000 ] - [ -0.0541807100000000, 0.0328006200000000, -0.0085411400000000 ] - [ -0.0584391600000000, 0.0363995300000000, -0.0086923500000000 ] - [ -0.0582651000000000, 0.0364065300000000, -0.0088682400000000 ] - [ -0.0581499800000000, 0.0361525600000000, -0.0087688200000000 ] - [ 0.0543712400000000, 0.0384126800000000, 0.0116163600000000 ] - [ 0.0588632400000000, 0.0364034100000000, 0.0090972800000000 ] - [ 0.0582396100000000, 0.0363094400000000, 0.0087460500000000 ] - [ 0.0583425900000000, 0.0364495500000000, 0.0086895800000000 ] - [ 0.0563509500000000, 0.0351411300000000, 0.0130378500000000 ] - [ 0.0581841400000000, 0.0363202800000000, 0.0086459400000000 ] - [ 0.0583189400000000, 0.0365073300000000, 0.0087987800000000 ] - [ 0.0584219100000000, 0.0364960900000000, 0.0087445200000000 ] - [ 0.0557406000000000, -0.0340938200000000, 0.0086899100000000 ] - [ 0.0583970100000000, -0.0366219000000000, 0.0086335500000000 ] - [ 0.0582015800000000, -0.0368547300000000, 0.0085066800000000 ] - [ 0.0565418600000000, -0.0344093900000000, 0.0092302100000000 ] - [ 0.0585510200000000, -0.0368191700000000, 0.0090205600000000 ] - [ 0.0582663200000000, -0.0362127000000000, 0.0089303700000000 ] - [ 0.0583492800000000, -0.0360606400000000, 0.0089838400000000 ] - [ 0.0583966600000000, -0.0363691400000000, 0.0089180900000000 ] - [ -0.0576734700000000, -0.0359782500000000, -0.0090509700000000 ] - [ -0.0587070300000000, -0.0368016800000000, -0.0085080800000000 ] - [ -0.0578343500000000, -0.0362097400000000, -0.0091641000000000 ] - [ -0.0587616000000000, -0.0369344300000000, -0.0085462100000000 ] - [ -0.0587088800000000, -0.0365744400000000, -0.0084305800000000 ] - [ -0.0581551100000000, -0.0363224500000000, -0.0089596700000000 ] - [ -0.0585214000000000, -0.0365117100000000, -0.0083024500000000 ] - [ -0.0580653800000000, -0.0361342600000000, -0.0088992200000000 ] - [ -0.0585112100000000, 0.0350699000000000, -0.0068617100000000 ] - [ -0.0582487800000000, 0.0367147900000000, -0.0084896100000000 ] - [ -0.0582701500000000, 0.0366399500000000, -0.0085766500000000 ] - [ -0.0583497100000000, 0.0365050300000000, -0.0086568800000000 ] - [ -0.0578321200000000, 0.0360384300000000, -0.0087080500000000 ] - [ -0.0581520300000000, 0.0361688100000000, -0.0089534400000000 ] - [ -0.0582941000000000, 0.0361855400000000, -0.0088736600000000 ] - [ -0.0578712800000000, 0.0359240400000000, -0.0088038200000000 ] - [ 0.0580312700000000, 0.0364193900000000, 0.0092272200000000 ] - [ 0.0590281300000000, 0.0359930500000000, 0.0085291300000000 ] - [ 0.0582981100000000, 0.0362725000000000, 0.0089294500000000 ] - [ 0.0584200400000000, 0.0365790900000000, 0.0087264100000000 ] - [ 0.0587347200000000, 0.0366805100000000, 0.0083438600000000 ] - [ 0.0579933400000000, 0.0362331200000000, 0.0092030800000000 ] - [ 0.0583100900000000, 0.0363923400000000, 0.0086521100000000 ] - [ 0.0581650600000000, 0.0361891500000000, 0.0088401800000000 ] - [ -0.0003698800000000, -0.0656455300000000, -0.0003410300000000 ] - [ -0.0000571500000000, -0.0646867700000000, -0.0006729300000000 ] - [ -0.0007208200000000, -0.0642880400000000, 0.0002292300000000 ] - [ 0.0002503700000000, -0.0651057800000000, -0.0005661700000000 ] - [ 0.0003094500000000, -0.0642062800000000, 0.0000656500000000 ] - [ -0.0003008200000000, -0.0645404200000000, 0.0009790400000000 ] - [ 0.0004168700000000, -0.0649656100000000, -0.0014290300000000 ] - [ -0.0003906300000000, -0.0648182500000000, 0.0003687200000000 ] - [ -0.0005160100000000, 0.0643017700000000, 0.0011993500000000 ] - [ 0.0006069600000000, 0.0658982700000000, -0.0000986000000000 ] - [ -0.0003214600000000, 0.0648582900000000, 0.0002526300000000 ] - [ 0.0010883600000000, 0.0647157600000000, -0.0003659900000000 ] - [ 0.0001919100000000, 0.0647397200000000, -0.0015296200000000 ] - [ -0.0009447800000000, 0.0638034900000000, -0.0001705300000000 ] - [ 0.0002203400000000, 0.0647950000000000, -0.0003939600000000 ] - [ -0.0002907400000000, 0.0649371600000000, -0.0000107900000000 ] - [ 0.0032819100000000, -0.0648294300000000, -0.0037891300000000 ] - [ -0.0008009700000000, -0.0646170300000000, 0.0002387300000000 ] - [ 0.0001048600000000, -0.0650022600000000, -0.0001841400000000 ] - [ -0.0001133700000000, -0.0650661000000000, -0.0000789900000000 ] - [ -0.0018809500000000, -0.0598963800000000, 0.0075311600000000 ] - [ 0.0002766900000000, -0.0647997700000000, -0.0002109900000000 ] - [ -0.0000519600000000, -0.0649340000000000, 0.0001219400000000 ] - [ 0.0000248900000000, -0.0648342300000000, 0.0000051700000000 ] - [ -0.0153961500000000, 0.0785106700000000, 0.0079164900000000 ] - [ 0.0004976900000000, 0.0650376300000000, -0.0001938600000000 ] - [ -0.0000702700000000, 0.0648845800000000, 0.0001986100000000 ] - [ 0.0002872300000000, 0.0649125100000000, 0.0000915800000000 ] - [ 0.0047568200000000, 0.0671944000000000, -0.0029338500000000 ] - [ -0.0002365000000000, 0.0650597500000000, -0.0003681700000000 ] - [ 0.0000792300000000, 0.0648036200000000, -0.0001538000000000 ] - [ -0.0000429000000000, 0.0648442800000000, -0.0001176500000000 ]- atom: 33 displacement: [ 0.0055508974371774, 0.0000000000000000, -0.0083179046425129 ] forces: - [ 0.0032396400000000, 0.0010212700000000, -0.0005112300000000 ] - [ -0.0004416000000000, -0.0012082200000000, 0.0002639500000000 ] - [ 0.0000978700000000, -0.0014591700000000, -0.0000318500000000 ] - [ -0.0000222200000000, -0.0015893500000000, -0.0000287000000000 ] - [ -0.0000100300000000, -0.0016659900000000, 0.0004931000000000 ] - [ 0.0006116800000000, -0.0020497800000000, 0.0001007100000000 ] - [ -0.0000116300000000, -0.0016161100000000, 0.0000601900000000 ] - [ 0.0000068900000000, -0.0015310400000000, 0.0000030200000000 ] - [ 0.0003828000000000, 0.0014996000000000, -0.0028849400000000 ] - [ 0.0001644000000000, 0.0018567900000000, 0.0012120500000000 ] - [ 0.0000142600000000, 0.0016316600000000, 0.0000237000000000 ] - [ -0.0000322000000000, 0.0016396300000000, 0.0000296300000000 ] - [ -0.0003545300000000, 0.0017116300000000, 0.0000198000000000 ] - [ 0.0002472600000000, 0.0016367400000000, -0.0005073700000000 ] - [ 0.0000132400000000, 0.0016182900000000, -0.0000108400000000 ] - [ 0.0000054300000000, 0.0016464000000000, -0.0000463100000000 ] - [ 0.0019123600000000, -0.0007170900000000, -0.0006119000000000 ] - [ -0.0001589300000000, -0.0016491200000000, 0.0000560800000000 ] - [ 0.0000766000000000, -0.0013458100000000, -0.0000332500000000 ] - [ -0.0000448200000000, -0.0015456900000000, -0.0000340400000000 ] - [ -0.0005296200000000, -0.0010006900000000, 0.0002806400000000 ] - [ 0.0000674600000000, -0.0016059700000000, 0.0000524400000000 ] - [ -0.0000360600000000, -0.0016574400000000, 0.0000373700000000 ] - [ 0.0000168900000000, -0.0015654500000000, 0.0000221100000000 ] - [ -0.0005046000000000, 0.0018868100000000, 0.0001524400000000 ] - [ 0.0000905300000000, 0.0016220000000000, -0.0000365300000000 ] - [ -0.0001721200000000, 0.0015089500000000, 0.0000244700000000 ] - [ 0.0001079900000000, 0.0015920300000000, -0.0001044800000000 ] - [ 0.0001402200000000, 0.0012004800000000, -0.0001588700000000 ] - [ -0.0000467200000000, 0.0016100100000000, -0.0000174600000000 ] - [ 0.0000470100000000, 0.0018482800000000, -0.0000796800000000 ] - [ -0.0000158400000000, 0.0015931000000000, 0.0000020900000000 ] - [ 0.0266636200000000, -0.0248699200000000, 0.0447785400000000 ] - [ 0.0586396000000000, -0.0364054500000000, 0.0086129000000000 ] - [ 0.0581974900000000, -0.0364143600000000, 0.0088509400000000 ] - [ 0.0588899000000000, -0.0368798700000000, 0.0086637000000000 ] - [ 0.0594648600000000, -0.0369736800000000, 0.0072804000000000 ] - [ 0.0579801600000000, -0.0362673200000000, 0.0085917500000000 ] - [ 0.0583684100000000, -0.0364858200000000, 0.0086644200000000 ] - [ 0.0582675500000000, -0.0364300700000000, 0.0087298200000000 ] - [ -0.0511903100000000, -0.0354877800000000, -0.0104075100000000 ] - [ -0.0578723500000000, -0.0363097400000000, -0.0085643200000000 ] - [ -0.0582849800000000, -0.0365236400000000, -0.0087551500000000 ] - [ -0.0584121900000000, -0.0364359000000000, -0.0087303200000000 ] - [ -0.0562686100000000, -0.0320530100000000, -0.0188364100000000 ] - [ -0.0584085200000000, -0.0363932000000000, -0.0090791800000000 ] - [ -0.0582884500000000, -0.0363948200000000, -0.0087691000000000 ] - [ -0.0582830300000000, -0.0364127300000000, -0.0087794000000000 ] - [ -0.0558076100000000, 0.0355393100000000, -0.0119995600000000 ] - [ -0.0594463500000000, 0.0363856000000000, -0.0093830800000000 ] - [ -0.0582481100000000, 0.0363111200000000, -0.0088522700000000 ] - [ -0.0583683000000000, 0.0363623800000000, -0.0087970700000000 ] - [ -0.0624378800000000, 0.0399834600000000, -0.0089881300000000 ] - [ -0.0581944100000000, 0.0363930000000000, -0.0088199900000000 ] - [ -0.0583669700000000, 0.0363862900000000, -0.0086439300000000 ] - [ -0.0584787800000000, 0.0366362800000000, -0.0087426300000000 ] - [ 0.0623263500000000, 0.0343209200000000, 0.0058315400000000 ] - [ 0.0577735400000000, 0.0363894000000000, 0.0084161500000000 ] - [ 0.0583936700000000, 0.0364836600000000, 0.0087656100000000 ] - [ 0.0582926100000000, 0.0363450800000000, 0.0088197200000000 ] - [ 0.0602622600000000, 0.0376427600000000, 0.0045546000000000 ] - [ 0.0584471600000000, 0.0364707000000000, 0.0088679100000000 ] - [ 0.0583150000000000, 0.0362878800000000, 0.0087129500000000 ] - [ 0.0582108500000000, 0.0362983100000000, 0.0087669800000000 ] - [ 0.0608433400000000, -0.0386610200000000, 0.0088210600000000 ] - [ 0.0582397300000000, -0.0361721400000000, 0.0088750500000000 ] - [ 0.0584282800000000, -0.0359405500000000, 0.0090047100000000 ] - [ 0.0600484000000000, -0.0383365600000000, 0.0082966100000000 ] - [ 0.0580843800000000, -0.0359752700000000, 0.0084909300000000 ] - [ 0.0583658600000000, -0.0365797700000000, 0.0085844700000000 ] - [ 0.0582850500000000, -0.0367315000000000, 0.0085287200000000 ] - [ 0.0582369200000000, -0.0364226700000000, 0.0085929700000000 ] - [ -0.0589526100000000, -0.0367982400000000, -0.0084569300000000 ] - [ -0.0579280100000000, -0.0359988200000000, -0.0090025800000000 ] - [ -0.0587814600000000, -0.0365943400000000, -0.0083482900000000 ] - [ -0.0578700600000000, -0.0358572400000000, -0.0089656600000000 ] - [ -0.0579268600000000, -0.0362210300000000, -0.0090841700000000 ] - [ -0.0584774600000000, -0.0364686100000000, -0.0085549500000000 ] - [ -0.0581137500000000, -0.0362825000000000, -0.0092058000000000 ] - [ -0.0585675500000000, -0.0366574800000000, -0.0086142400000000 ] - [ -0.0581249400000000, 0.0377301700000000, -0.0106512500000000 ] - [ -0.0583829200000000, 0.0360795900000000, -0.0090232000000000 ] - [ -0.0583641200000000, 0.0361549900000000, -0.0089329000000000 ] - [ -0.0582840800000000, 0.0362899900000000, -0.0088548900000000 ] - [ -0.0587822800000000, 0.0367397800000000, -0.0087994200000000 ] - [ -0.0584805500000000, 0.0366227500000000, -0.0085588700000000 ] - [ -0.0583377800000000, 0.0366066800000000, -0.0086401200000000 ] - [ -0.0587545600000000, 0.0368616800000000, -0.0087098500000000 ] - [ 0.0586010600000000, 0.0363744400000000, 0.0082867200000000 ] - [ 0.0576164400000000, 0.0367906100000000, 0.0089659400000000 ] - [ 0.0583368800000000, 0.0365178400000000, 0.0085847600000000 ] - [ 0.0582134600000000, 0.0362143300000000, 0.0087865000000000 ] - [ 0.0578923500000000, 0.0361057700000000, 0.0091607900000000 ] - [ 0.0586365800000000, 0.0365598500000000, 0.0083116700000000 ] - [ 0.0583221200000000, 0.0364027000000000, 0.0088582000000000 ] - [ 0.0584671400000000, 0.0366038000000000, 0.0086713700000000 ] - [ 0.0003743700000000, -0.0641466700000000, 0.0003257300000000 ] - [ 0.0000589500000000, -0.0651022300000000, 0.0006639000000000 ] - [ 0.0007253000000000, -0.0655023200000000, -0.0002391800000000 ] - [ -0.0002480400000000, -0.0646873600000000, 0.0005613300000000 ] - [ -0.0003057200000000, -0.0655823000000000, -0.0000623800000000 ] - [ 0.0003032100000000, -0.0652495000000000, -0.0009725800000000 ] - [ -0.0004143000000000, -0.0648255500000000, 0.0013969500000000 ] - [ 0.0003977300000000, -0.0649692300000000, -0.0003722300000000 ] - [ 0.0004866700000000, 0.0654786000000000, -0.0011602400000000 ] - [ -0.0006052600000000, 0.0638936000000000, 0.0001011000000000 ] - [ 0.0003085900000000, 0.0649270000000000, -0.0002468400000000 ] - [ -0.0010677500000000, 0.0650676600000000, 0.0003671100000000 ] - [ -0.0001917600000000, 0.0650532100000000, 0.0015294700000000 ] - [ 0.0009340800000000, 0.0659821200000000, 0.0001776000000000 ] - [ -0.0002205000000000, 0.0649971300000000, 0.0003954500000000 ] - [ 0.0002859500000000, 0.0648523500000000, 0.0000159000000000 ] - [ -0.0032778800000000, -0.0649737800000000, 0.0037627100000000 ] - [ 0.0007956100000000, -0.0651718700000000, -0.0002412300000000 ] - [ -0.0001020700000000, -0.0647914500000000, 0.0001781300000000 ] - [ 0.0001138500000000, -0.0647286000000000, 0.0000754800000000 ] - [ 0.0019077800000000, -0.0698333600000000, -0.0068775600000000 ] - [ -0.0002707800000000, -0.0649897400000000, 0.0002049100000000 ] - [ 0.0000544400000000, -0.0648599700000000, -0.0001244200000000 ] - [ -0.0000198200000000, -0.0649577400000000, -0.0000118600000000 ] - [ 0.0157469700000000, 0.0509456000000000, -0.0078458300000000 ] - [ -0.0005002400000000, 0.0647565800000000, 0.0001979000000000 ] - [ 0.0000679500000000, 0.0649071000000000, -0.0001934400000000 ] - [ -0.0002785000000000, 0.0648633400000000, -0.0000851700000000 ] - [ -0.0047392600000000, 0.0626077000000000, 0.0029237100000000 ] - [ 0.0002349700000000, 0.0647339000000000, 0.0003641600000000 ] - [ -0.0000823200000000, 0.0649862700000000, 0.0001571400000000 ] - [ 0.0000410300000000, 0.0649466600000000, 0.0001207100000000 ]- atom: 97 displacement: [ 0.0099999969834461, 0.0000000000000000, -0.0000077673077165 ] forces: - [ 0.0000514800000000, -0.0022849100000000, -0.0013100400000000 ] - [ 0.0002034700000000, -0.0015037800000000, 0.0001875300000000 ] - [ -0.0001267500000000, -0.0014301100000000, -0.0001934000000000 ] - [ 0.0001309900000000, -0.0016544500000000, 0.0001497700000000 ] - [ 0.0000445100000000, -0.0009056100000000, -0.0013194100000000 ] - [ 0.0002026300000000, -0.0016856700000000, 0.0001879500000000 ] - [ -0.0001258800000000, -0.0017583800000000, -0.0001932500000000 ] - [ 0.0001308700000000, -0.0015348100000000, 0.0001523400000000 ] - [ -0.0010466200000000, 0.0015983800000000, -0.0000984400000000 ] - [ 0.0002192300000000, 0.0015957700000000, 0.0001186900000000 ] - [ -0.0038153500000000, 0.0015903600000000, 0.0002793600000000 ] - [ 0.0003383400000000, 0.0015928200000000, -0.0000015700000000 ] - [ -0.0000665100000000, 0.0015947100000000, -0.0001643800000000 ] - [ 0.0001078500000000, 0.0015952100000000, 0.0002223500000000 ] - [ 0.0003172400000000, 0.0015931600000000, -0.0003564600000000 ] - [ 0.0000016500000000, 0.0015943700000000, 0.0002548600000000 ] - [ -0.0000453000000000, -0.0014633100000000, 0.0000552100000000 ] - [ 0.0000303600000000, -0.0016832400000000, -0.0000197100000000 ] - [ -0.0000225500000000, -0.0019583200000000, 0.0025956500000000 ] - [ 0.0002083300000000, -0.0017075000000000, -0.0005577000000000 ] - [ 0.0000309100000000, -0.0015045900000000, -0.0000184000000000 ] - [ -0.0000455000000000, -0.0017243700000000, 0.0000543300000000 ] - [ 0.0002088100000000, -0.0014843500000000, -0.0005542500000000 ] - [ -0.0000204300000000, -0.0012345000000000, 0.0025827400000000 ] - [ 0.0034795600000000, 0.0024982000000000, -0.0000186400000000 ] - [ 0.0034360300000000, 0.0006873800000000, -0.0000181600000000 ] - [ 0.0000802200000000, 0.0013801000000000, 0.0000005000000000 ] - [ 0.0000767100000000, 0.0018113400000000, 0.0000003200000000 ] - [ 0.0000009700000000, 0.0012949300000000, -0.0002218400000000 ] - [ 0.0000018400000000, 0.0018934700000000, -0.0002114300000000 ] - [ 0.0000036000000000, 0.0015720000000000, 0.0000020700000000 ] - [ 0.0000034500000000, 0.0016177900000000, 0.0000010600000000 ] - [ 0.0587508700000000, -0.0365247500000000, 0.0085942300000000 ] - [ 0.0582277800000000, -0.0362658300000000, 0.0086289100000000 ] - [ 0.0590723500000000, -0.0365536200000000, 0.0083881300000000 ] - [ 0.0580952800000000, -0.0361283600000000, 0.0089099400000000 ] - [ 0.0582522700000000, -0.0363680100000000, 0.0090844100000000 ] - [ 0.0580995900000000, -0.0362718900000000, 0.0082489300000000 ] - [ 0.0579879300000000, -0.0361639900000000, 0.0090350400000000 ] - [ 0.0582806100000000, -0.0369873800000000, 0.0082525600000000 ] - [ -0.0585382900000000, -0.0365254900000000, -0.0092688800000000 ] - [ -0.0583821000000000, -0.0364270000000000, -0.0084305600000000 ] - [ -0.0583589200000000, -0.0358068800000000, -0.0092520300000000 ] - [ -0.0586433900000000, -0.0366275400000000, -0.0084697400000000 ] - [ -0.0584055000000000, -0.0365284300000000, -0.0088856400000000 ] - [ -0.0578866500000000, -0.0362694300000000, -0.0089110400000000 ] - [ -0.0585385400000000, -0.0366634500000000, -0.0086055700000000 ] - [ -0.0575601800000000, -0.0362354300000000, -0.0091169100000000 ] - [ -0.0591481600000000, 0.0366319000000000, -0.0085787500000000 ] - [ -0.0601081400000000, 0.0384350300000000, -0.0105335700000000 ] - [ -0.0595890600000000, 0.0376139100000000, -0.0083226200000000 ] - [ -0.0584497000000000, 0.0350545600000000, -0.0092282200000000 ] - [ -0.0581302100000000, 0.0361582100000000, -0.0097646400000000 ] - [ -0.0583369300000000, 0.0364044100000000, -0.0085384600000000 ] - [ -0.0582466900000000, 0.0362481200000000, -0.0090545500000000 ] - [ -0.0583421100000000, 0.0365653200000000, -0.0085048600000000 ] - [ 0.0565462600000000, 0.0343639100000000, 0.0069505600000000 ] - [ 0.0574934100000000, 0.0361628100000000, 0.0089327900000000 ] - [ 0.0581726600000000, 0.0377358600000000, 0.0082851200000000 ] - [ 0.0570198100000000, 0.0351476400000000, 0.0091997900000000 ] - [ 0.0582966000000000, 0.0363911200000000, 0.0089767200000000 ] - [ 0.0585017200000000, 0.0366355200000000, 0.0077551900000000 ] - [ 0.0582938900000000, 0.0362306800000000, 0.0090025800000000 ] - [ 0.0583900300000000, 0.0365469800000000, 0.0084567800000000 ] - [ 0.0577541000000000, -0.0364032800000000, 0.0074185900000000 ] - [ 0.0572730100000000, -0.0359029900000000, 0.0120001700000000 ] - [ 0.0583133700000000, -0.0363301100000000, 0.0086166600000000 ] - [ 0.0583878800000000, -0.0365089600000000, 0.0089272700000000 ] - [ 0.0581417300000000, -0.0362319100000000, 0.0089667300000000 ] - [ 0.0632241100000000, -0.0372667700000000, 0.0097531700000000 ] - [ 0.0581083900000000, -0.0363487200000000, 0.0086411800000000 ] - [ 0.0584123400000000, -0.0364419100000000, 0.0087549100000000 ] - [ -0.0534240700000000, -0.0355194400000000, -0.0077831300000000 ] - [ -0.0584929600000000, -0.0365613000000000, -0.0085436300000000 ] - [ -0.0582233400000000, -0.0363533700000000, -0.0087570500000000 ] - [ -0.0585275400000000, -0.0364485600000000, -0.0088669700000000 ] - [ -0.0593602500000000, -0.0368876600000000, -0.0054999100000000 ] - [ -0.0588742800000000, -0.0363880000000000, -0.0100863600000000 ] - [ -0.0582486600000000, -0.0362877200000000, -0.0085846800000000 ] - [ -0.0583204800000000, -0.0364648500000000, -0.0088957800000000 ] - [ -0.0580065100000000, 0.0358964800000000, -0.0086313200000000 ] - [ -0.0586523900000000, 0.0364265200000000, -0.0086449200000000 ] - [ -0.0216014900000000, 0.0070432200000000, -0.0034397400000000 ] - [ -0.0593372500000000, 0.0366832700000000, -0.0088363100000000 ] - [ -0.0582979400000000, 0.0363820900000000, -0.0086464800000000 ] - [ -0.0583787500000000, 0.0364530600000000, -0.0088457400000000 ] - [ -0.0596747200000000, 0.0383724400000000, -0.0039557200000000 ] - [ -0.0581236900000000, 0.0364517800000000, -0.0089090700000000 ] - [ 0.0579729400000000, 0.0363583300000000, 0.0088697900000000 ] - [ 0.0586284100000000, 0.0368902300000000, 0.0088793600000000 ] - [ 0.0572978800000000, 0.0361138000000000, 0.0086757500000000 ] - [ 0.0937713800000000, 0.0643962700000000, 0.0141404000000000 ] - [ 0.0582564500000000, 0.0363405700000000, 0.0086640100000000 ] - [ 0.0583370800000000, 0.0364113000000000, 0.0088662300000000 ] - [ 0.0585144100000000, 0.0363442700000000, 0.0086050100000000 ] - [ 0.0569666300000000, 0.0344115300000000, 0.0135708100000000 ] - [ -0.0926919500000000, -0.0635810800000000, 0.0063156400000000 ] - [ 0.0012080800000000, -0.0648976000000000, -0.0004053200000000 ] - [ -0.0006497900000000, -0.0648933900000000, 0.0001256400000000 ] - [ 0.0005537400000000, -0.0648857200000000, -0.0000100400000000 ] - [ 0.0034918200000000, -0.0648924100000000, -0.0029389800000000 ] - [ -0.0004360000000000, -0.0648985500000000, 0.0017360400000000 ] - [ -0.0000567900000000, -0.0648951600000000, -0.0002237600000000 ] - [ 0.0000774600000000, -0.0648959200000000, 0.0001848600000000 ] - [ -0.0001995200000000, 0.0648744200000000, -0.0002259600000000 ] - [ 0.0001808100000000, 0.0648473000000000, 0.0000059400000000 ] - [ 0.0010219300000000, 0.0636466000000000, -0.0161715500000000 ] - [ 0.0005414000000000, 0.0646803800000000, 0.0001429400000000 ] - [ -0.0001989600000000, 0.0649205700000000, -0.0002289200000000 ] - [ 0.0001773900000000, 0.0649490500000000, 0.0000126200000000 ] - [ 0.0009885300000000, 0.0661514700000000, -0.0162231400000000 ] - [ 0.0005379900000000, 0.0651056400000000, 0.0001445400000000 ] - [ 0.0041554700000000, -0.0629135300000000, -0.0005076600000000 ] - [ 0.0041064200000000, -0.0668402100000000, -0.0005092600000000 ] - [ 0.0041295300000000, -0.0689879900000000, 0.0001649100000000 ] - [ 0.0041337700000000, -0.0607712200000000, 0.0001679200000000 ] - [ -0.0002237800000000, -0.0646527600000000, 0.0000604100000000 ] - [ -0.0002211500000000, -0.0651381700000000, 0.0000558600000000 ] - [ -0.0002219800000000, -0.0643019600000000, -0.0000402500000000 ] - [ -0.0002228000000000, -0.0654938700000000, -0.0000454500000000 ] - [ -0.0005593200000000, 0.0652437000000000, 0.0041545700000000 ] - [ 0.0002502300000000, 0.0649354400000000, -0.0005502100000000 ] - [ -0.0006836300000000, 0.0645043400000000, 0.0009898400000000 ] - [ 0.0005875100000000, 0.0650372500000000, -0.0009977300000000 ] - [ 0.0002507200000000, 0.0648561600000000, -0.0005538800000000 ] - [ -0.0005486700000000, 0.0645428900000000, 0.0041104100000000 ] - [ 0.0005852200000000, 0.0647556100000000, -0.0009787800000000 ] - [ -0.0006902000000000, 0.0652885100000000, 0.0009922100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007100800000000, -0.0017567300000000, 0.0015782100000000 ] - [ 0.0000457400000000, -0.0019080900000000, 0.0000343200000000 ] - [ 0.0000470200000000, -0.0012841000000000, -0.0000219500000000 ] - [ -0.0000423300000000, -0.0013981200000000, 0.0000165300000000 ] - [ 0.0007100800000000, -0.0017567300000000, -0.0015782100000000 ] - [ -0.0000457400000000, -0.0019080900000000, -0.0000343200000000 ] - [ -0.0000470200000000, -0.0012841000000000, 0.0000219500000000 ] - [ 0.0000423300000000, -0.0013981200000000, -0.0000165300000000 ] - [ 0.0000000000000000, 0.0033549600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018200400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0061867200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016025600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015961500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017080000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018693500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015022300000000, 0.0000000000000000 ] - [ -0.0000119700000000, -0.0013028500000000, 0.0000581600000000 ] - [ -0.0000447900000000, -0.0014205500000000, 0.0000833700000000 ] - [ -0.0002976000000000, -0.0015208800000000, -0.0020310900000000 ] - [ 0.0003114100000000, -0.0015152400000000, 0.0002526900000000 ] - [ 0.0000447900000000, -0.0014205500000000, -0.0000833700000000 ] - [ 0.0000119700000000, -0.0013028500000000, -0.0000581600000000 ] - [ -0.0003114100000000, -0.0015152400000000, -0.0002526900000000 ] - [ 0.0002976000000000, -0.0015208800000000, 0.0020310900000000 ] - [ -0.0008524700000000, -0.0008865800000000, -0.0002831400000000 ] - [ 0.0008524700000000, -0.0008865800000000, 0.0002831400000000 ] - [ -0.0000602600000000, 0.0019334000000000, 0.0000137500000000 ] - [ 0.0000602600000000, 0.0019334000000000, -0.0000137500000000 ] - [ -0.0002659900000000, 0.0016106500000000, 0.0001624100000000 ] - [ 0.0002659900000000, 0.0016106500000000, -0.0001624100000000 ] - [ -0.0000033100000000, 0.0017966400000000, -0.0000233100000000 ] - [ 0.0000033100000000, 0.0017966400000000, 0.0000233100000000 ] - [ 0.0582731700000000, -0.0366387000000000, 0.0078209900000000 ] - [ 0.0581608000000000, -0.0361571900000000, 0.0089013500000000 ] - [ 0.0586938400000000, -0.0371012300000000, 0.0097337200000000 ] - [ 0.0583259200000000, -0.0365782400000000, 0.0085124500000000 ] - [ 0.0582300300000000, -0.0360981800000000, 0.0095309800000000 ] - [ 0.0585988500000000, -0.0365027000000000, 0.0093767500000000 ] - [ 0.0586306600000000, -0.0367345400000000, 0.0088800800000000 ] - [ 0.0580686600000000, -0.0366616000000000, 0.0086747900000000 ] - [ -0.0585988500000000, -0.0365027000000000, -0.0093767500000000 ] - [ -0.0582300300000000, -0.0360981800000000, -0.0095309800000000 ] - [ -0.0580686600000000, -0.0366616000000000, -0.0086747900000000 ] - [ -0.0586306600000000, -0.0367345400000000, -0.0088800800000000 ] - [ -0.0581608000000000, -0.0361571900000000, -0.0089013500000000 ] - [ -0.0582731700000000, -0.0366387000000000, -0.0078209900000000 ] - [ -0.0583259200000000, -0.0365782400000000, -0.0085124500000000 ] - [ -0.0586938400000000, -0.0371012300000000, -0.0097337200000000 ] - [ -0.0594402900000000, 0.0375211100000000, -0.0082914200000000 ] - [ -0.0550038300000000, 0.0343459200000000, -0.0072582000000000 ] - [ -0.0579930500000000, 0.0357708000000000, -0.0087707200000000 ] - [ -0.0584229300000000, 0.0358432300000000, -0.0088719900000000 ] - [ -0.0580312600000000, 0.0361344000000000, -0.0098821600000000 ] - [ -0.0585195000000000, 0.0368187000000000, -0.0090828500000000 ] - [ -0.0581518700000000, 0.0361583000000000, -0.0085937000000000 ] - [ -0.0583040400000000, 0.0361867800000000, -0.0088661300000000 ] - [ 0.0550038300000000, 0.0343459200000000, 0.0072582000000000 ] - [ 0.0594402900000000, 0.0375211100000000, 0.0082914200000000 ] - [ 0.0584229300000000, 0.0358432300000000, 0.0088719900000000 ] - [ 0.0579930500000000, 0.0357708000000000, 0.0087707200000000 ] - [ 0.0585195000000000, 0.0368187000000000, 0.0090828500000000 ] - [ 0.0580312600000000, 0.0361344000000000, 0.0098821600000000 ] - [ 0.0583040400000000, 0.0361867800000000, 0.0088661300000000 ] - [ 0.0581518700000000, 0.0361583000000000, 0.0085937000000000 ] - [ 0.0585647300000000, -0.0359178900000000, 0.0092533700000000 ] - [ 0.0585352600000000, -0.0357032600000000, 0.0089888200000000 ] - [ 0.0585434100000000, -0.0367459500000000, 0.0087037800000000 ] - [ 0.0584347400000000, -0.0367235800000000, 0.0087069400000000 ] - [ 0.0583421800000000, -0.0361079800000000, 0.0088872300000000 ] - [ 0.0569573800000000, -0.0288430100000000, 0.0138219700000000 ] - [ 0.0585124500000000, -0.0367044800000000, 0.0089593500000000 ] - [ 0.0584388600000000, -0.0367611700000000, 0.0087918400000000 ] - [ -0.0569573800000000, -0.0288430100000000, -0.0138219700000000 ] - [ -0.0583421800000000, -0.0361079800000000, -0.0088872300000000 ] - [ -0.0584388600000000, -0.0367611700000000, -0.0087918400000000 ] - [ -0.0585124500000000, -0.0367044800000000, -0.0089593500000000 ] - [ -0.0585352600000000, -0.0357032600000000, -0.0089888200000000 ] - [ -0.0585647300000000, -0.0359178900000000, -0.0092533700000000 ] - [ -0.0584347400000000, -0.0367235800000000, -0.0087069400000000 ] - [ -0.0585434100000000, -0.0367459500000000, -0.0087037800000000 ] - [ -0.0581479600000000, 0.0357473000000000, -0.0086573300000000 ] - [ -0.0584000400000000, 0.0356301800000000, -0.0087861400000000 ] - [ -0.0881830100000000, 0.0747055100000000, -0.0125709200000000 ] - [ -0.0589042800000000, 0.0369716400000000, -0.0089770300000000 ] - [ -0.0582517500000000, 0.0361618300000000, -0.0088222500000000 ] - [ -0.0582825200000000, 0.0361325300000000, -0.0087943900000000 ] - [ -0.0582924600000000, 0.0377337500000000, -0.0059753200000000 ] - [ -0.0582560300000000, 0.0365672700000000, -0.0085196400000000 ] - [ 0.0584000400000000, 0.0356301800000000, 0.0087861400000000 ] - [ 0.0581479600000000, 0.0357473000000000, 0.0086573300000000 ] - [ 0.0589042800000000, 0.0369716400000000, 0.0089770300000000 ] - [ 0.0881830100000000, 0.0747055100000000, 0.0125709200000000 ] - [ 0.0582825200000000, 0.0361325300000000, 0.0087943900000000 ] - [ 0.0582517500000000, 0.0361618300000000, 0.0088222500000000 ] - [ 0.0582560300000000, 0.0365672700000000, 0.0085196400000000 ] - [ 0.0582924600000000, 0.0377337500000000, 0.0059753200000000 ] - [ 0.0000000000000000, -0.1612743400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0663631100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0640902500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0640456400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0659039900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0650188400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0644676500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0644024600000000, 0.0000000000000000 ] - [ -0.0000230800000000, 0.0653608500000000, 0.0002705500000000 ] - [ -0.0000496300000000, 0.0651866900000000, 0.0002834400000000 ] - [ -0.0012491000000000, 0.0629991300000000, -0.0130596000000000 ] - [ -0.0002129900000000, 0.0647967700000000, -0.0003730400000000 ] - [ 0.0000230800000000, 0.0653608500000000, -0.0002705500000000 ] - [ 0.0000496300000000, 0.0651866900000000, -0.0002834400000000 ] - [ 0.0012491000000000, 0.0629991300000000, 0.0130596000000000 ] - [ 0.0002129900000000, 0.0647967700000000, 0.0003730400000000 ] - [ 0.0041385100000000, -0.0625035100000000, -0.0010518500000000 ] - [ -0.0041385100000000, -0.0625035100000000, 0.0010518500000000 ] - [ -0.0019786200000000, -0.0624937200000000, -0.0001336900000000 ] - [ 0.0019786200000000, -0.0624937200000000, 0.0001336900000000 ] - [ -0.0005980200000000, -0.0647455100000000, 0.0006352300000000 ] - [ 0.0005980200000000, -0.0647455100000000, -0.0006352300000000 ] - [ -0.0002445300000000, -0.0647458700000000, -0.0008218100000000 ] - [ 0.0002445300000000, -0.0647458700000000, 0.0008218100000000 ] - [ 0.0003501400000000, 0.0645751100000000, 0.0046693700000000 ] - [ 0.0000395800000000, 0.0638066300000000, 0.0010322000000000 ] - [ -0.0003891600000000, 0.0655743800000000, -0.0000592800000000 ] - [ 0.0001429000000000, 0.0653550900000000, -0.0000922800000000 ] - [ -0.0000395800000000, 0.0638066300000000, -0.0010322000000000 ] - [ -0.0003501400000000, 0.0645751100000000, -0.0046693700000000 ] - [ -0.0001429000000000, 0.0653550900000000, 0.0000922800000000 ] - [ 0.0003891600000000, 0.0655743800000000, 0.0000592800000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007099200000000, -0.0014450400000000, -0.0015651800000000 ] - [ -0.0000448200000000, -0.0012838300000000, -0.0000329100000000 ] - [ -0.0000481300000000, -0.0019019500000000, 0.0000213400000000 ] - [ 0.0000420500000000, -0.0017888200000000, -0.0000191700000000 ] - [ -0.0007099200000000, -0.0014450400000000, 0.0015651800000000 ] - [ 0.0000448200000000, -0.0012838300000000, 0.0000329100000000 ] - [ 0.0000481300000000, -0.0019019500000000, -0.0000213400000000 ] - [ -0.0000420500000000, -0.0017888200000000, 0.0000191700000000 ] - [ 0.0000000000000000, -0.0001350300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013742400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030549300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015816900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015937200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014826500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013202500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016863600000000, 0.0000000000000000 ] - [ 0.0000120600000000, -0.0018826200000000, -0.0000571400000000 ] - [ 0.0000435800000000, -0.0017651400000000, -0.0000829000000000 ] - [ 0.0002963900000000, -0.0016659300000000, 0.0020333100000000 ] - [ -0.0003093600000000, -0.0016760400000000, -0.0002521600000000 ] - [ -0.0000435800000000, -0.0017651400000000, 0.0000829000000000 ] - [ -0.0000120600000000, -0.0018826200000000, 0.0000571400000000 ] - [ 0.0003093600000000, -0.0016760400000000, 0.0002521600000000 ] - [ -0.0002963900000000, -0.0016659300000000, -0.0020333100000000 ] - [ 0.0008480100000000, 0.0040671500000000, 0.0002820600000000 ] - [ -0.0008480100000000, 0.0040671500000000, -0.0002820600000000 ] - [ 0.0000622200000000, 0.0012621800000000, -0.0000137200000000 ] - [ -0.0000622200000000, 0.0012621800000000, 0.0000137200000000 ] - [ 0.0002627400000000, 0.0015736000000000, -0.0001752600000000 ] - [ -0.0002627400000000, 0.0015736000000000, 0.0001752600000000 ] - [ 0.0000032700000000, 0.0013948200000000, 0.0000240200000000 ] - [ -0.0000032700000000, 0.0013948200000000, -0.0000240200000000 ] - [ 0.0583593900000000, -0.0361572500000000, 0.0096792700000000 ] - [ 0.0584731700000000, -0.0366357500000000, 0.0086111300000000 ] - [ 0.0579417600000000, -0.0356905200000000, 0.0077729400000000 ] - [ 0.0583061100000000, -0.0362140600000000, 0.0090017600000000 ] - [ 0.0584047000000000, -0.0366918900000000, 0.0079928900000000 ] - [ 0.0580320500000000, -0.0362865600000000, 0.0081465700000000 ] - [ 0.0580006100000000, -0.0360591000000000, 0.0086286500000000 ] - [ 0.0585701900000000, -0.0361350200000000, 0.0088276800000000 ] - [ -0.0580320500000000, -0.0362865600000000, -0.0081465700000000 ] - [ -0.0584047000000000, -0.0366918900000000, -0.0079928900000000 ] - [ -0.0585701900000000, -0.0361350200000000, -0.0088276800000000 ] - [ -0.0580006100000000, -0.0360591000000000, -0.0086286500000000 ] - [ -0.0584731700000000, -0.0366357500000000, -0.0086111300000000 ] - [ -0.0583593900000000, -0.0361572500000000, -0.0096792700000000 ] - [ -0.0583061100000000, -0.0362140600000000, -0.0090017600000000 ] - [ -0.0579417600000000, -0.0356905200000000, -0.0077729400000000 ] - [ -0.0572110600000000, 0.0352873800000000, -0.0092139100000000 ] - [ -0.0615827200000000, 0.0384098100000000, -0.0102331300000000 ] - [ -0.0586042600000000, 0.0369767900000000, -0.0087558600000000 ] - [ -0.0582026000000000, 0.0369421000000000, -0.0086429000000000 ] - [ -0.0585993900000000, 0.0366588300000000, -0.0076413000000000 ] - [ -0.0581149600000000, 0.0359796300000000, -0.0084361100000000 ] - [ -0.0584835200000000, 0.0366339100000000, -0.0089168700000000 ] - [ -0.0583312700000000, 0.0366063600000000, -0.0086411300000000 ] - [ 0.0615827200000000, 0.0384098100000000, 0.0102331300000000 ] - [ 0.0572110600000000, 0.0352873800000000, 0.0092139100000000 ] - [ 0.0582026000000000, 0.0369421000000000, 0.0086429000000000 ] - [ 0.0586042600000000, 0.0369767900000000, 0.0087558600000000 ] - [ 0.0581149600000000, 0.0359796300000000, 0.0084361100000000 ] - [ 0.0585993900000000, 0.0366588300000000, 0.0076413000000000 ] - [ 0.0583312700000000, 0.0366063600000000, 0.0086411300000000 ] - [ 0.0584835200000000, 0.0366339100000000, 0.0089168700000000 ] - [ 0.0580668900000000, -0.0368710100000000, 0.0082542500000000 ] - [ 0.0580890100000000, -0.0370814800000000, 0.0085176400000000 ] - [ 0.0580916900000000, -0.0360512100000000, 0.0088083400000000 ] - [ 0.0582015700000000, -0.0360753400000000, 0.0088049200000000 ] - [ 0.0582923500000000, -0.0366816300000000, 0.0086256100000000 ] - [ 0.0596823800000000, -0.0439164900000000, 0.0036952100000000 ] - [ 0.0581223600000000, -0.0360923600000000, 0.0085505700000000 ] - [ 0.0581969500000000, -0.0360367900000000, 0.0087196800000000 ] - [ -0.0596823800000000, -0.0439164900000000, -0.0036952100000000 ] - [ -0.0582923500000000, -0.0366816300000000, -0.0086256100000000 ] - [ -0.0581969500000000, -0.0360367900000000, -0.0087196800000000 ] - [ -0.0581223600000000, -0.0360923600000000, -0.0085505700000000 ] - [ -0.0580890100000000, -0.0370814800000000, -0.0085176400000000 ] - [ -0.0580668900000000, -0.0368710100000000, -0.0082542500000000 ] - [ -0.0582015700000000, -0.0360753400000000, -0.0088049200000000 ] - [ -0.0580916900000000, -0.0360512100000000, -0.0088083400000000 ] - [ -0.0584833700000000, 0.0370360400000000, -0.0088533300000000 ] - [ -0.0582218200000000, 0.0371382900000000, -0.0087283900000000 ] - [ -0.0271930200000000, -0.0028833100000000, -0.0050145900000000 ] - [ -0.0577335000000000, 0.0358300700000000, -0.0085346700000000 ] - [ -0.0583818600000000, 0.0366285100000000, -0.0086899000000000 ] - [ -0.0583518700000000, 0.0366577800000000, -0.0087168500000000 ] - [ -0.0583518600000000, 0.0350572200000000, -0.0115304300000000 ] - [ -0.0583821600000000, 0.0362292700000000, -0.0089957400000000 ] - [ 0.0582218200000000, 0.0371382900000000, 0.0087283900000000 ] - [ 0.0584833700000000, 0.0370360400000000, 0.0088533300000000 ] - [ 0.0577335000000000, 0.0358300700000000, 0.0085346700000000 ] - [ 0.0271930200000000, -0.0028833100000000, 0.0050145900000000 ] - [ 0.0583518700000000, 0.0366577800000000, 0.0087168500000000 ] - [ 0.0583818600000000, 0.0366285100000000, 0.0086899000000000 ] - [ 0.0583821600000000, 0.0362292700000000, 0.0089957400000000 ] - [ 0.0583518600000000, 0.0350572200000000, 0.0115304300000000 ] - [ 0.0000000000000000, 0.0333177500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0634382900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0656896000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0657206200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0638986600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0647826000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0653187600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0653847800000000, 0.0000000000000000 ] - [ 0.0000225300000000, 0.0644383500000000, -0.0002671200000000 ] - [ 0.0000516100000000, 0.0646120400000000, -0.0002842800000000 ] - [ 0.0012755800000000, 0.0668287100000000, 0.0130576200000000 ] - [ 0.0002132100000000, 0.0649886000000000, 0.0003745300000000 ] - [ -0.0000225300000000, 0.0644383500000000, 0.0002671200000000 ] - [ -0.0000516100000000, 0.0646120400000000, 0.0002842800000000 ] - [ -0.0012755800000000, 0.0668287100000000, -0.0130576200000000 ] - [ -0.0002132100000000, 0.0649886000000000, -0.0003745300000000 ] - [ -0.0040767100000000, -0.0672458200000000, 0.0010417800000000 ] - [ 0.0040767100000000, -0.0672458200000000, -0.0010417800000000 ] - [ 0.0019478100000000, -0.0672358000000000, 0.0001270400000000 ] - [ -0.0019478100000000, -0.0672358000000000, -0.0001270400000000 ] - [ 0.0005932700000000, -0.0650455300000000, -0.0006290500000000 ] - [ -0.0005932700000000, -0.0650455300000000, 0.0006290500000000 ] - [ 0.0002424400000000, -0.0650458800000000, 0.0008247000000000 ] - [ -0.0002424400000000, -0.0650458800000000, -0.0008247000000000 ] - [ -0.0003578000000000, 0.0651982100000000, -0.0046112500000000 ] - [ -0.0000413500000000, 0.0659742100000000, -0.0010155300000000 ] - [ 0.0003950000000000, 0.0642235300000000, 0.0000536200000000 ] - [ -0.0001387400000000, 0.0644420300000000, 0.0000686400000000 ] - [ 0.0000413500000000, 0.0659742100000000, 0.0010155300000000 ] - [ 0.0003578000000000, 0.0651982100000000, 0.0046112500000000 ] - [ 0.0001387400000000, 0.0644420300000000, -0.0000686400000000 ] - [ -0.0003950000000000, 0.0642235300000000, -0.0000536200000000 ]- atom: 97 displacement: [ -0.0055508974371774, 0.0000000000000000, 0.0083179046425129 ] forces: - [ -0.0021246900000000, 0.0015210500000000, 0.0013001100000000 ] - [ 0.0000348800000000, -0.0016425900000000, 0.0000700100000000 ] - [ 0.0000657000000000, -0.0018774100000000, 0.0001384000000000 ] - [ -0.0001192700000000, -0.0015416200000000, -0.0001139000000000 ] - [ -0.0021104300000000, -0.0046853600000000, 0.0012844700000000 ] - [ 0.0000345800000000, -0.0015468300000000, 0.0000711000000000 ] - [ 0.0000664000000000, -0.0013125800000000, 0.0001391900000000 ] - [ -0.0001193000000000, -0.0016481600000000, -0.0001122400000000 ] - [ 0.0005455900000000, 0.0015926700000000, -0.0004045300000000 ] - [ -0.0000616700000000, 0.0015950400000000, -0.0000157100000000 ] - [ 0.0026211300000000, 0.0015978300000000, -0.0007588900000000 ] - [ -0.0002989200000000, 0.0015938300000000, -0.0000430900000000 ] - [ -0.0002386500000000, 0.0015949600000000, 0.0000769700000000 ] - [ 0.0002269600000000, 0.0015953000000000, 0.0000685900000000 ] - [ -0.0005476400000000, 0.0015946900000000, 0.0005154000000000 ] - [ 0.0001455200000000, 0.0015941700000000, -0.0001884500000000 ] - [ 0.0000876400000000, -0.0014649700000000, -0.0000565200000000 ] - [ -0.0000257300000000, -0.0016204300000000, 0.0000268600000000 ] - [ 0.0026497700000000, -0.0035266300000000, -0.0016493400000000 ] - [ -0.0004136700000000, -0.0017231400000000, 0.0005944200000000 ] - [ -0.0000259100000000, -0.0015685500000000, 0.0000280700000000 ] - [ 0.0000871500000000, -0.0017230900000000, -0.0000562800000000 ] - [ -0.0004124300000000, -0.0014687000000000, 0.0005948900000000 ] - [ 0.0026399300000000, 0.0003317700000000, -0.0016482600000000 ] - [ -0.0020620200000000, 0.0008309300000000, -0.0005091400000000 ] - [ -0.0020680500000000, 0.0023552900000000, -0.0005148800000000 ] - [ -0.0000292400000000, 0.0017895100000000, -0.0000683800000000 ] - [ -0.0000306800000000, 0.0014004400000000, -0.0000685000000000 ] - [ 0.0004599100000000, 0.0021122300000000, 0.0034763100000000 ] - [ 0.0004629500000000, 0.0010762900000000, 0.0034698000000000 ] - [ -0.0000110500000000, 0.0016226600000000, 0.0000768300000000 ] - [ -0.0000111000000000, 0.0015665500000000, 0.0000763300000000 ] - [ 0.0579185000000000, -0.0374214400000000, 0.0084040800000000 ] - [ 0.0586048800000000, -0.0368664400000000, 0.0083202000000000 ] - [ 0.0571945800000000, -0.0351287400000000, 0.0087240400000000 ] - [ 0.0587451200000000, -0.0368943500000000, 0.0083121500000000 ] - [ 0.0584966700000000, -0.0361468100000000, 0.0087330900000000 ] - [ 0.0576020500000000, -0.0353949800000000, 0.0094523700000000 ] - [ 0.0598505100000000, -0.0377890300000000, 0.0080937600000000 ] - [ 0.0580986300000000, -0.0358201000000000, 0.0092399000000000 ] - [ -0.0590368400000000, -0.0374044900000000, -0.0080550200000000 ] - [ -0.0581374800000000, -0.0366506100000000, -0.0087761000000000 ] - [ -0.0585393700000000, -0.0369750000000000, -0.0082674000000000 ] - [ -0.0567636400000000, -0.0349878000000000, -0.0094148700000000 ] - [ -0.0580295700000000, -0.0359282100000000, -0.0091949600000000 ] - [ -0.0587145300000000, -0.0353790800000000, -0.0091046900000000 ] - [ -0.0578903200000000, -0.0359004700000000, -0.0092011800000000 ] - [ -0.0594351600000000, -0.0376534600000000, -0.0087852700000000 ] - [ -0.0578565900000000, 0.0362467900000000, -0.0089558400000000 ] - [ -0.0574612400000000, 0.0353211900000000, -0.0066525400000000 ] - [ -0.0573268300000000, 0.0353545400000000, -0.0091911500000000 ] - [ -0.0582876800000000, 0.0374147700000000, -0.0082790200000000 ] - [ -0.0588274800000000, 0.0358903800000000, -0.0086455100000000 ] - [ -0.0579964500000000, 0.0370005600000000, -0.0101975700000000 ] - [ -0.0584320500000000, 0.0365517200000000, -0.0086533100000000 ] - [ -0.0582449000000000, 0.0360830700000000, -0.0092479100000000 ] - [ 0.0592051300000000, 0.0374916000000000, 0.0108440300000000 ] - [ 0.0587750400000000, 0.0365430000000000, 0.0085590800000000 ] - [ 0.0583424600000000, 0.0353732600000000, 0.0092351000000000 ] - [ 0.0592862800000000, 0.0374152700000000, 0.0083277800000000 ] - [ 0.0586393200000000, 0.0357915500000000, 0.0073102400000000 ] - [ 0.0578063800000000, 0.0369024400000000, 0.0088684900000000 ] - [ 0.0583903200000000, 0.0367114500000000, 0.0082614200000000 ] - [ 0.0582032200000000, 0.0362431300000000, 0.0088576100000000 ] - [ 0.0580201700000000, -0.0360447400000000, 0.0093315700000000 ] - [ 0.0620849500000000, -0.0378741800000000, 0.0052968400000000 ] - [ 0.0582959100000000, -0.0365734500000000, 0.0087411800000000 ] - [ 0.0583634700000000, -0.0364053700000000, 0.0085369900000000 ] - [ 0.0583760200000000, -0.0364084900000000, 0.0084030900000000 ] - [ 0.0595254000000000, -0.0379891100000000, 0.0176651500000000 ] - [ 0.0585313200000000, -0.0364425900000000, 0.0088918800000000 ] - [ 0.0582765200000000, -0.0363244600000000, 0.0088871400000000 ] - [ -0.0571048500000000, -0.0348590300000000, 0.0008870500000000 ] - [ -0.0582585000000000, -0.0363860800000000, -0.0091068800000000 ] - [ -0.0583586000000000, -0.0364702900000000, -0.0086232500000000 ] - [ -0.0581016800000000, -0.0363518300000000, -0.0086165100000000 ] - [ -0.0545646700000000, -0.0349157700000000, -0.0122054900000000 ] - [ -0.0586105900000000, -0.0367488700000000, -0.0081806300000000 ] - [ -0.0582719600000000, -0.0363892800000000, -0.0089753200000000 ] - [ -0.0583376800000000, -0.0362207300000000, -0.0087715400000000 ] - [ -0.0585075200000000, 0.0366563800000000, -0.0086417200000000 ] - [ -0.0581224900000000, 0.0363713900000000, -0.0087268800000000 ] - [ -0.0780915200000000, 0.0515216000000000, -0.0037687000000000 ] - [ -0.0575281000000000, 0.0360950700000000, -0.0087592700000000 ] - [ -0.0582099500000000, 0.0362496600000000, -0.0088933900000000 ] - [ -0.0583974300000000, 0.0364540900000000, -0.0089001800000000 ] - [ -0.0554580800000000, 0.0358739500000000, -0.0129385900000000 ] - [ -0.0595349800000000, 0.0363343400000000, -0.0097763400000000 ] - [ 0.0585103000000000, 0.0364199800000000, 0.0087870500000000 ] - [ 0.0581270100000000, 0.0361363600000000, 0.0088702900000000 ] - [ 0.0591071800000000, 0.0366982000000000, 0.0087540300000000 ] - [ 0.0381831100000000, 0.0208724000000000, 0.0136828600000000 ] - [ 0.0582370200000000, 0.0363396100000000, 0.0086101700000000 ] - [ 0.0584245000000000, 0.0365443500000000, 0.0086184000000000 ] - [ 0.0570970500000000, 0.0364621400000000, 0.0077292300000000 ] - [ 0.0611889200000000, 0.0369157900000000, 0.0045687000000000 ] - [ 0.0566673900000000, -0.0644029000000000, -0.0468798200000000 ] - [ -0.0010030600000000, -0.0648951100000000, 0.0003503700000000 ] - [ 0.0004689600000000, -0.0648948800000000, -0.0003967400000000 ] - [ -0.0003120900000000, -0.0648899900000000, -0.0004750400000000 ] - [ -0.0043739300000000, -0.0648994600000000, 0.0060338900000000 ] - [ 0.0016894100000000, -0.0648955800000000, -0.0004246700000000 ] - [ -0.0001500200000000, -0.0648960500000000, 0.0005423700000000 ] - [ 0.0001148600000000, -0.0648959300000000, 0.0001567300000000 ] - [ -0.0000833600000000, 0.0651332500000000, 0.0000186900000000 ] - [ -0.0000951800000000, 0.0651615400000000, 0.0001524600000000 ] - [ -0.0140692700000000, 0.0546869500000000, 0.0112991300000000 ] - [ -0.0001830500000000, 0.0647025700000000, 0.0004415600000000 ] - [ -0.0000822400000000, 0.0646602500000000, 0.0000200200000000 ] - [ -0.0000961600000000, 0.0646329300000000, 0.0001588700000000 ] - [ -0.0139825100000000, 0.0750100100000000, 0.0112143400000000 ] - [ -0.0001844800000000, 0.0650878300000000, 0.0004478600000000 ] - [ -0.0021520600000000, -0.0658733500000000, -0.0000140900000000 ] - [ -0.0021494400000000, -0.0639110100000000, -0.0000132600000000 ] - [ -0.0027232400000000, -0.0617264600000000, -0.0003882200000000 ] - [ -0.0027018500000000, -0.0680280200000000, -0.0003881300000000 ] - [ 0.0000921500000000, -0.0643451300000000, 0.0009769900000000 ] - [ 0.0000932400000000, -0.0654443300000000, 0.0009727100000000 ] - [ 0.0001761700000000, -0.0657526400000000, 0.0010328600000000 ] - [ 0.0001773900000000, -0.0640401700000000, 0.0010289200000000 ] - [ 0.0037402300000000, 0.0685590100000000, -0.0026188000000000 ] - [ -0.0006010000000000, 0.0657258900000000, 0.0012787600000000 ] - [ 0.0012042200000000, 0.0650660200000000, -0.0009187200000000 ] - [ -0.0011536800000000, 0.0647500000000000, 0.0012634400000000 ] - [ -0.0006018700000000, 0.0640675100000000, 0.0012842200000000 ] - [ 0.0037373300000000, 0.0612326700000000, -0.0026156900000000 ] - [ -0.0011474300000000, 0.0650400200000000, 0.0012752800000000 ] - [ 0.0011976900000000, 0.0647246400000000, -0.0009139700000000 ]