# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3d96ca65-88e0-4248-bc85-b61f34251527/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 FeAsS / P2_1/c (14) / materials id 561511](https://mdr.nims.go.jp/datasets/d078b462-fc3d-4278-9e8e-1df847132174) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.649179040000000, 0.000000000000000, -0.010671280000000 ] # a - [ 0.000000000000000, 5.580586070000000, 0.000000000000000 ] # b - [ -2.132074440000000, 0.000000000000000, 5.256008390000000 ] # c points: - symbol: Fe # 1 coordinates: [ 0.211853810000000, 0.509151910000000, 0.702618390000000 ] mass: 55.845000 - symbol: Fe # 2 coordinates: [ 0.788146190000000, 0.490848090000000, 0.297381610000000 ] mass: 55.845000 - symbol: Fe # 3 coordinates: [ 0.788146190000000, 0.009151910000000, 0.797381610000000 ] mass: 55.845000 - symbol: Fe # 4 coordinates: [ 0.211853810000000, 0.990848090000000, 0.202618390000000 ] mass: 55.845000 - symbol: As # 5 coordinates: [ 0.646370560000000, 0.632798380000000, 0.872156690000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.353629440000000, 0.132798380000000, 0.627843310000000 ] mass: 74.921600 - symbol: As # 7 coordinates: [ 0.646370560000000, 0.867201620000000, 0.372156690000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.353629440000000, 0.367201620000000, 0.127843310000000 ] mass: 74.921600 - symbol: S # 9 coordinates: [ 0.848109130000000, 0.133583800000000, 0.177553110000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.151890870000000, 0.633583800000000, 0.322446890000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.848109130000000, 0.366416200000000, 0.677553110000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.151890870000000, 0.866416200000000, 0.822446890000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.177152616845288, 0.000000000000000, 0.071861104155306 ] # a* - [ 0.000000000000000, 0.179192648846647, 0.000000000000000 ] # b* - [ 0.000359673165797, 0.000000000000000, 0.190404347882624 ] # c*unit_cell: lattice: - [ 5.649179040000000, 0.000000000000000, -0.010671280000000 ] # a - [ 0.000000000000000, 5.580586070000000, 0.000000000000000 ] # b - [ -2.132074440000000, 0.000000000000000, 5.256008390000000 ] # c points: - symbol: Fe # 1 coordinates: [ 0.211853810000000, 0.509151910000000, 0.702618390000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 2 coordinates: [ 0.788146190000000, 0.490848090000000, 0.297381610000000 ] mass: 55.845000 reduced_to: 2 - symbol: Fe # 3 coordinates: [ 0.788146190000000, 0.009151910000000, 0.797381610000000 ] mass: 55.845000 reduced_to: 3 - symbol: Fe # 4 coordinates: [ 0.211853810000000, 0.990848090000000, 0.202618390000000 ] mass: 55.845000 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.646370560000000, 0.632798380000000, 0.872156690000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.353629440000000, 0.132798380000000, 0.627843310000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.646370560000000, 0.867201620000000, 0.372156690000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.353629440000000, 0.367201620000000, 0.127843310000000 ] mass: 74.921600 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.848109130000000, 0.133583800000000, 0.177553110000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.151890870000000, 0.633583800000000, 0.322446890000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.848109130000000, 0.366416200000000, 0.677553110000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.151890870000000, 0.866416200000000, 0.822446890000000 ] mass: 32.065000 reduced_to: 12supercell: lattice: - [ 11.298358080000000, 0.000000000000000, -0.021342560000000 ] # a - [ 0.000000000000000, 16.741758210000000, 0.000000000000000 ] # b - [ -4.264148880000000, 0.000000000000000, 10.512016780000000 ] # c points: - symbol: Fe # 1 coordinates: [ 0.105926905000000, 0.169717303333333, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 2 coordinates: [ 0.605926905000000, 0.169717303333333, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 3 coordinates: [ 0.105926905000000, 0.503050636666667, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 4 coordinates: [ 0.605926905000000, 0.503050636666667, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 5 coordinates: [ 0.105926905000000, 0.836383970000000, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 6 coordinates: [ 0.605926905000000, 0.836383970000000, 0.351309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 7 coordinates: [ 0.105926905000000, 0.169717303333333, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 8 coordinates: [ 0.605926905000000, 0.169717303333333, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 9 coordinates: [ 0.105926905000000, 0.503050636666667, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 10 coordinates: [ 0.605926905000000, 0.503050636666667, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 11 coordinates: [ 0.105926905000000, 0.836383970000000, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 12 coordinates: [ 0.605926905000000, 0.836383970000000, 0.851309195000000 ] mass: 55.845000 reduced_to: 1 - symbol: Fe # 13 coordinates: [ 0.394073095000000, 0.163616030000000, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 14 coordinates: [ 0.894073095000000, 0.163616030000000, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 15 coordinates: [ 0.394073095000000, 0.496949363333333, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 16 coordinates: [ 0.894073095000000, 0.496949363333333, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 17 coordinates: [ 0.394073095000000, 0.830282696666667, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 18 coordinates: [ 0.894073095000000, 0.830282696666667, 0.148690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 19 coordinates: [ 0.394073095000000, 0.163616030000000, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 20 coordinates: [ 0.894073095000000, 0.163616030000000, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 21 coordinates: [ 0.394073095000000, 0.496949363333333, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 22 coordinates: [ 0.894073095000000, 0.496949363333333, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 23 coordinates: [ 0.394073095000000, 0.830282696666667, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 24 coordinates: [ 0.894073095000000, 0.830282696666667, 0.648690805000000 ] mass: 55.845000 reduced_to: 13 - symbol: Fe # 25 coordinates: [ 0.394073095000000, 0.003050636666667, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 26 coordinates: [ 0.894073095000000, 0.003050636666667, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 27 coordinates: [ 0.394073095000000, 0.336383970000000, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 28 coordinates: [ 0.894073095000000, 0.336383970000000, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 29 coordinates: [ 0.394073095000000, 0.669717303333333, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 30 coordinates: [ 0.894073095000000, 0.669717303333333, 0.398690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 31 coordinates: [ 0.394073095000000, 0.003050636666667, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 32 coordinates: [ 0.894073095000000, 0.003050636666667, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 33 coordinates: [ 0.394073095000000, 0.336383970000000, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 34 coordinates: [ 0.894073095000000, 0.336383970000000, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 35 coordinates: [ 0.394073095000000, 0.669717303333333, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 36 coordinates: [ 0.894073095000000, 0.669717303333333, 0.898690805000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 37 coordinates: [ 0.105926905000000, 0.330282696666667, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 38 coordinates: [ 0.605926905000000, 0.330282696666667, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 39 coordinates: [ 0.105926905000000, 0.663616030000000, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 40 coordinates: [ 0.605926905000000, 0.663616030000000, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 41 coordinates: [ 0.105926905000000, 0.996949363333333, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 42 coordinates: [ 0.605926905000000, 0.996949363333333, 0.101309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 43 coordinates: [ 0.105926905000000, 0.330282696666667, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 44 coordinates: [ 0.605926905000000, 0.330282696666667, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 45 coordinates: [ 0.105926905000000, 0.663616030000000, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 46 coordinates: [ 0.605926905000000, 0.663616030000000, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 47 coordinates: [ 0.105926905000000, 0.996949363333333, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: Fe # 48 coordinates: [ 0.605926905000000, 0.996949363333333, 0.601309195000000 ] mass: 55.845000 reduced_to: 37 - symbol: As # 49 coordinates: [ 0.323185280000000, 0.210932793333333, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.823185280000000, 0.210932793333333, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 51 coordinates: [ 0.323185280000000, 0.544266126666667, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 52 coordinates: [ 0.823185280000000, 0.544266126666667, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 53 coordinates: [ 0.323185280000000, 0.877599460000000, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 54 coordinates: [ 0.823185280000000, 0.877599460000000, 0.436078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 55 coordinates: [ 0.323185280000000, 0.210932793333333, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 56 coordinates: [ 0.823185280000000, 0.210932793333333, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 57 coordinates: [ 0.323185280000000, 0.544266126666667, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 58 coordinates: [ 0.823185280000000, 0.544266126666667, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 59 coordinates: [ 0.323185280000000, 0.877599460000000, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 60 coordinates: [ 0.823185280000000, 0.877599460000000, 0.936078345000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 61 coordinates: [ 0.176814720000000, 0.044266126666667, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 62 coordinates: [ 0.676814720000000, 0.044266126666667, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 63 coordinates: [ 0.176814720000000, 0.377599460000000, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 64 coordinates: [ 0.676814720000000, 0.377599460000000, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 65 coordinates: [ 0.176814720000000, 0.710932793333333, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 66 coordinates: [ 0.676814720000000, 0.710932793333333, 0.313921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 67 coordinates: [ 0.176814720000000, 0.044266126666667, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 68 coordinates: [ 0.676814720000000, 0.044266126666667, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 69 coordinates: [ 0.176814720000000, 0.377599460000000, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 70 coordinates: [ 0.676814720000000, 0.377599460000000, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 71 coordinates: [ 0.176814720000000, 0.710932793333333, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 72 coordinates: [ 0.676814720000000, 0.710932793333333, 0.813921655000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 73 coordinates: [ 0.323185280000000, 0.289067206666667, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 74 coordinates: [ 0.823185280000000, 0.289067206666667, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 75 coordinates: [ 0.323185280000000, 0.622400540000000, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 76 coordinates: [ 0.823185280000000, 0.622400540000000, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 77 coordinates: [ 0.323185280000000, 0.955733873333333, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 78 coordinates: [ 0.823185280000000, 0.955733873333333, 0.186078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 79 coordinates: [ 0.323185280000000, 0.289067206666667, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 80 coordinates: [ 0.823185280000000, 0.289067206666667, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 81 coordinates: [ 0.323185280000000, 0.622400540000000, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 82 coordinates: [ 0.823185280000000, 0.622400540000000, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 83 coordinates: [ 0.323185280000000, 0.955733873333333, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 84 coordinates: [ 0.823185280000000, 0.955733873333333, 0.686078345000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 85 coordinates: [ 0.176814720000000, 0.122400540000000, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 86 coordinates: [ 0.676814720000000, 0.122400540000000, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 87 coordinates: [ 0.176814720000000, 0.455733873333333, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 88 coordinates: [ 0.676814720000000, 0.455733873333333, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 89 coordinates: [ 0.176814720000000, 0.789067206666667, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 90 coordinates: [ 0.676814720000000, 0.789067206666667, 0.063921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 91 coordinates: [ 0.176814720000000, 0.122400540000000, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 92 coordinates: [ 0.676814720000000, 0.122400540000000, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 93 coordinates: [ 0.176814720000000, 0.455733873333333, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 94 coordinates: [ 0.676814720000000, 0.455733873333333, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 95 coordinates: [ 0.176814720000000, 0.789067206666667, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 96 coordinates: [ 0.676814720000000, 0.789067206666667, 0.563921655000000 ] mass: 74.921600 reduced_to: 85 - symbol: S # 97 coordinates: [ 0.424054565000000, 0.044527933333333, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.924054565000000, 0.044527933333333, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.424054565000000, 0.377861266666667, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.924054565000000, 0.377861266666667, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.424054565000000, 0.711194600000000, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 102 coordinates: [ 0.924054565000000, 0.711194600000000, 0.088776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 103 coordinates: [ 0.424054565000000, 0.044527933333333, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 104 coordinates: [ 0.924054565000000, 0.044527933333333, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 105 coordinates: [ 0.424054565000000, 0.377861266666667, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 106 coordinates: [ 0.924054565000000, 0.377861266666667, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 107 coordinates: [ 0.424054565000000, 0.711194600000000, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 108 coordinates: [ 0.924054565000000, 0.711194600000000, 0.588776555000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 109 coordinates: [ 0.075945435000000, 0.211194600000000, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.575945435000000, 0.211194600000000, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.075945435000000, 0.544527933333333, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.575945435000000, 0.544527933333333, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.075945435000000, 0.877861266666667, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 114 coordinates: [ 0.575945435000000, 0.877861266666667, 0.161223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 115 coordinates: [ 0.075945435000000, 0.211194600000000, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 116 coordinates: [ 0.575945435000000, 0.211194600000000, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 117 coordinates: [ 0.075945435000000, 0.544527933333333, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 118 coordinates: [ 0.575945435000000, 0.544527933333333, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 119 coordinates: [ 0.075945435000000, 0.877861266666667, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 120 coordinates: [ 0.575945435000000, 0.877861266666667, 0.661223445000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 121 coordinates: [ 0.424054565000000, 0.122138733333333, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 122 coordinates: [ 0.924054565000000, 0.122138733333333, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 123 coordinates: [ 0.424054565000000, 0.455472066666667, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 124 coordinates: [ 0.924054565000000, 0.455472066666667, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 125 coordinates: [ 0.424054565000000, 0.788805400000000, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 126 coordinates: [ 0.924054565000000, 0.788805400000000, 0.338776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 127 coordinates: [ 0.424054565000000, 0.122138733333333, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 128 coordinates: [ 0.924054565000000, 0.122138733333333, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 129 coordinates: [ 0.424054565000000, 0.455472066666667, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 130 coordinates: [ 0.924054565000000, 0.455472066666667, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 131 coordinates: [ 0.424054565000000, 0.788805400000000, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 132 coordinates: [ 0.924054565000000, 0.788805400000000, 0.838776555000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 133 coordinates: [ 0.075945435000000, 0.288805400000000, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 134 coordinates: [ 0.575945435000000, 0.288805400000000, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 135 coordinates: [ 0.075945435000000, 0.622138733333333, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 136 coordinates: [ 0.575945435000000, 0.622138733333333, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 137 coordinates: [ 0.075945435000000, 0.955472066666667, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 138 coordinates: [ 0.575945435000000, 0.955472066666667, 0.411223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 139 coordinates: [ 0.075945435000000, 0.288805400000000, 0.911223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 140 coordinates: [ 0.575945435000000, 0.288805400000000, 0.911223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 141 coordinates: [ 0.075945435000000, 0.622138733333333, 0.911223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 142 coordinates: [ 0.575945435000000, 0.622138733333333, 0.911223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 143 coordinates: [ 0.075945435000000, 0.955472066666667, 0.911223445000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 144 coordinates: [ 0.575945435000000, 0.955472066666667, 0.911223445000000 ] mass: 32.065000 reduced_to: 133born_effective_charge:- # 1 (Fe) - [ -6.202578210000000, -0.158191620000000, 0.026150710000000 ] - [ -0.459130990000000, -6.205551820000000, 0.515509860000000 ] - [ 0.145316010000000, 0.015327680000000, -6.365183050000000 ]- # 2 (Fe) - [ -6.202578210000000, -0.158191620000000, 0.026150710000000 ] - [ -0.459130990000000, -6.205551820000000, 0.515509860000000 ] - [ 0.145316010000000, 0.015327680000000, -6.365183050000000 ]- # 3 (Fe) - [ -6.202578210000000, 0.158191620000000, 0.026150710000000 ] - [ 0.459130990000000, -6.205551820000000, -0.515509860000000 ] - [ 0.145316010000000, -0.015327680000000, -6.365183050000000 ]- # 4 (Fe) - [ -6.202578210000000, 0.158191620000000, 0.026150710000000 ] - [ 0.459130990000000, -6.205551820000000, -0.515509860000000 ] - [ 0.145316010000000, -0.015327680000000, -6.365183050000000 ]- # 5 (As) - [ 3.391793210000000, 0.061039800000000, 0.328674950000000 ] - [ -0.116984340000000, 3.413524260000000, 0.166883060000000 ] - [ -0.245186650000000, -0.147693790000000, 3.703033200000000 ]- # 6 (As) - [ 3.391793210000000, -0.061039800000000, 0.328674950000000 ] - [ 0.116984340000000, 3.413524260000000, -0.166883060000000 ] - [ -0.245186650000000, 0.147693790000000, 3.703033200000000 ]- # 7 (As) - [ 3.391793210000000, -0.061039800000000, 0.328674950000000 ] - [ 0.116984340000000, 3.413524260000000, -0.166883060000000 ] - [ -0.245186650000000, 0.147693790000000, 3.703033200000000 ]- # 8 (As) - [ 3.391793210000000, 0.061039800000000, 0.328674950000000 ] - [ -0.116984340000000, 3.413524260000000, 0.166883060000000 ] - [ -0.245186650000000, -0.147693790000000, 3.703033200000000 ]- # 9 (S) - [ 2.810785010000000, -0.163832360000000, -0.354825670000000 ] - [ -0.315927680000000, 2.792027560000000, 0.378882410000000 ] - [ 0.099870640000000, 0.399814570000000, 2.662149850000000 ]- # 10 (S) - [ 2.810785010000000, 0.163832360000000, -0.354825670000000 ] - [ 0.315927680000000, 2.792027560000000, -0.378882410000000 ] - [ 0.099870640000000, -0.399814570000000, 2.662149850000000 ]- # 11 (S) - [ 2.810785010000000, 0.163832360000000, -0.354825670000000 ] - [ 0.315927680000000, 2.792027560000000, -0.378882410000000 ] - [ 0.099870640000000, -0.399814570000000, 2.662149850000000 ]- # 12 (S) - [ 2.810785010000000, -0.163832360000000, -0.354825670000000 ] - [ -0.315927680000000, 2.792027560000000, 0.378882410000000 ] - [ 0.099870640000000, 0.399814570000000, 2.662149850000000 ]dielectric_constant: - [ 22.642434919999999, 0.000000000000000, -0.059607060000000 ] - [ 0.000000000000000, 24.913078550000002, 0.000000000000000 ] - [ -0.059610100000000, 0.000000000000000, 22.877831720000000 ]displacements:- atom: 1 displacement: [ 0.0099999821585070, 0.0000000000000000, -0.0000188899322986 ] forces: - [ -0.1996925100000000, -0.0164929300000000, 0.0083363800000000 ] - [ 0.0105694300000000, -0.0038500300000000, 0.0072981800000000 ] - [ 0.0038024300000000, -0.0008528700000000, 0.0090101800000000 ] - [ 0.0048014100000000, -0.0018076400000000, 0.0095249500000000 ] - [ 0.0038061400000000, -0.0012040600000000, 0.0088937400000000 ] - [ 0.0048025300000000, -0.0019720500000000, 0.0094587500000000 ] - [ 0.0062984100000000, -0.0032796100000000, 0.0050804100000000 ] - [ 0.0049964900000000, -0.0020335800000000, 0.0128597500000000 ] - [ 0.0038840200000000, -0.0020108800000000, 0.0090183600000000 ] - [ 0.0040339200000000, -0.0020331000000000, 0.0096689900000000 ] - [ 0.0038859200000000, -0.0020649500000000, 0.0090935000000000 ] - [ 0.0040345200000000, -0.0021000000000000, 0.0097704200000000 ] - [ -0.0009768900000000, 0.0019730200000000, -0.0101237100000000 ] - [ 0.0026892200000000, -0.0008295000000000, 0.0088837800000000 ] - [ -0.0036052700000000, 0.0025474600000000, -0.0097198500000000 ] - [ -0.0043255300000000, 0.0017026000000000, -0.0095614400000000 ] - [ -0.0037997100000000, 0.0019566500000000, -0.0096707700000000 ] - [ -0.0044452300000000, 0.0020927800000000, -0.0094721500000000 ] - [ 0.0008424200000000, 0.0034489800000000, -0.0022808400000000 ] - [ -0.0032976800000000, 0.0025655000000000, -0.0113060900000000 ] - [ -0.0039660900000000, 0.0021618100000000, -0.0092801600000000 ] - [ -0.0037096000000000, 0.0015654300000000, -0.0096122900000000 ] - [ -0.0043378700000000, 0.0014611800000000, -0.0092359100000000 ] - [ -0.0034548800000000, 0.0028145500000000, -0.0098501300000000 ] - [ 0.0000356000000000, -0.0077880700000000, -0.0104357300000000 ] - [ 0.0001435400000000, 0.0028964300000000, -0.0085999500000000 ] - [ -0.0000110900000000, 0.0003343300000000, -0.0091848500000000 ] - [ 0.0000660400000000, -0.0118895400000000, -0.0121598900000000 ] - [ -0.0039265200000000, -0.0018019300000000, -0.0094545400000000 ] - [ -0.0042731900000000, -0.0016012400000000, -0.0092577100000000 ] - [ -0.0040340800000000, -0.0022482100000000, -0.0090887200000000 ] - [ -0.0044023500000000, -0.0019736600000000, -0.0087954500000000 ] - [ -0.0040360100000000, -0.0015721000000000, -0.0093293900000000 ] - [ -0.0043998600000000, -0.0026041600000000, -0.0089326500000000 ] - [ -0.0040171400000000, -0.0020349900000000, -0.0095172400000000 ] - [ -0.0039541500000000, -0.0020153600000000, -0.0095587400000000 ] - [ 0.0031879800000000, 0.0037100200000000, 0.0042934400000000 ] - [ 0.0046932300000000, 0.0011650700000000, 0.0105941400000000 ] - [ 0.0038517500000000, 0.0023135700000000, 0.0094444000000000 ] - [ 0.0041147900000000, 0.0020383300000000, 0.0095069900000000 ] - [ 0.0026298000000000, 0.0000609700000000, 0.0075594500000000 ] - [ 0.0061698100000000, 0.0026650500000000, 0.0107055300000000 ] - [ 0.0032101400000000, 0.0011375900000000, 0.0072306300000000 ] - [ 0.0046805300000000, 0.0022613700000000, 0.0100716100000000 ] - [ 0.0038565700000000, 0.0024355700000000, 0.0095664400000000 ] - [ 0.0041134200000000, 0.0019326200000000, 0.0095250300000000 ] - [ 0.0026327200000000, 0.0027669300000000, 0.0062703100000000 ] - [ 0.0061795400000000, 0.0013918500000000, 0.0108975300000000 ] - [ 0.0305647700000000, 0.0039867400000000, 0.0108754400000000 ] - [ 0.0016740600000000, -0.0000685800000000, 0.0063534300000000 ] - [ -0.0000097600000000, -0.0025495100000000, 0.0012513200000000 ] - [ -0.0002916300000000, -0.0022277600000000, 0.0015467400000000 ] - [ 0.0000090600000000, -0.0008146200000000, 0.0014458500000000 ] - [ -0.0011788500000000, -0.0034141300000000, 0.0013040000000000 ] - [ -0.0010137200000000, -0.0026371300000000, 0.0020731000000000 ] - [ -0.0000224800000000, -0.0018887600000000, -0.0000158600000000 ] - [ -0.0001369000000000, -0.0023475100000000, 0.0016696900000000 ] - [ -0.0002356200000000, -0.0022909800000000, 0.0016116900000000 ] - [ -0.0001604600000000, -0.0022275900000000, 0.0017032300000000 ] - [ -0.0001708200000000, -0.0023121600000000, 0.0015630200000000 ] - [ 0.0210932800000000, -0.0086449700000000, -0.0037067300000000 ] - [ -0.0009779200000000, -0.0026088000000000, -0.0011420100000000 ] - [ -0.0015018700000000, -0.0024125100000000, 0.0000470000000000 ] - [ -0.0005885200000000, -0.0011003500000000, -0.0019120400000000 ] - [ 0.0002410100000000, -0.0023970400000000, -0.0014738100000000 ] - [ 0.0000786300000000, -0.0024116900000000, -0.0016875600000000 ] - [ 0.0001159800000000, -0.0021100300000000, -0.0007288300000000 ] - [ 0.0001830700000000, -0.0024077700000000, -0.0023623500000000 ] - [ 0.0002810000000000, -0.0021204000000000, -0.0011181400000000 ] - [ 0.0000806200000000, -0.0023742700000000, -0.0017158400000000 ] - [ 0.0002736500000000, -0.0023851700000000, -0.0015840500000000 ] - [ 0.0001254200000000, -0.0023172600000000, -0.0016310100000000 ] - [ -0.0017679800000000, 0.0015873800000000, 0.0028743700000000 ] - [ 0.0016707900000000, 0.0028235600000000, 0.0003474400000000 ] - [ -0.0002041100000000, 0.0021606700000000, 0.0016448400000000 ] - [ -0.0002054300000000, 0.0023353600000000, 0.0016039500000000 ] - [ -0.0003751500000000, 0.0026771400000000, 0.0022812600000000 ] - [ 0.0000495400000000, 0.0011477000000000, 0.0011742200000000 ] - [ 0.0003330100000000, 0.0011430500000000, 0.0013464900000000 ] - [ -0.0006915800000000, 0.0024117100000000, 0.0019752400000000 ] - [ -0.0001607600000000, 0.0022414400000000, 0.0015926900000000 ] - [ -0.0003070300000000, 0.0024497600000000, 0.0015976700000000 ] - [ 0.0007577000000000, 0.0027599400000000, 0.0015741300000000 ] - [ -0.0007604300000000, 0.0025768900000000, 0.0013042700000000 ] - [ -0.0021072500000000, 0.0056408900000000, -0.0044417600000000 ] - [ -0.0006319300000000, 0.0025701200000000, -0.0053883000000000 ] - [ 0.0001903100000000, 0.0019235600000000, -0.0009660300000000 ] - [ 0.0001639200000000, 0.0026749100000000, -0.0017397600000000 ] - [ 0.0002198900000000, 0.0022943000000000, -0.0015245200000000 ] - [ 0.0002492300000000, 0.0022771800000000, -0.0017456600000000 ] - [ 0.0123920900000000, 0.0004448200000000, 0.0001315900000000 ] - [ -0.0013344600000000, 0.0020745800000000, -0.0014898600000000 ] - [ 0.0003345600000000, 0.0027413800000000, -0.0018988100000000 ] - [ -0.0002045800000000, 0.0023131200000000, -0.0016326000000000 ] - [ 0.0005381900000000, 0.0023341600000000, -0.0016124100000000 ] - [ -0.0000684500000000, 0.0023209600000000, -0.0015812000000000 ] - [ -0.0037395400000000, 0.0019234000000000, 0.0004193300000000 ] - [ -0.0007683800000000, 0.0005522800000000, 0.0005338600000000 ] - [ -0.0032993700000000, 0.0015996500000000, 0.0001850900000000 ] - [ -0.0020783300000000, 0.0015940300000000, 0.0009998500000000 ] - [ -0.0028096800000000, 0.0015197100000000, 0.0004734700000000 ] - [ -0.0027535800000000, 0.0014604200000000, 0.0004070000000000 ] - [ -0.0047387200000000, 0.0033738600000000, -0.0016929900000000 ] - [ -0.0039221900000000, 0.0010894900000000, 0.0022852800000000 ] - [ -0.0030082700000000, 0.0010995500000000, -0.0002612500000000 ] - [ -0.0031216500000000, 0.0023465400000000, 0.0017431400000000 ] - [ -0.0027954200000000, 0.0016111100000000, 0.0004212300000000 ] - [ -0.0027410900000000, 0.0012499400000000, 0.0004927600000000 ] - [ 0.0279807600000000, 0.0077756500000000, -0.0131437600000000 ] - [ 0.0011940500000000, 0.0019892900000000, 0.0001951300000000 ] - [ 0.0030369300000000, 0.0014417900000000, -0.0002747900000000 ] - [ 0.0027060100000000, 0.0014613900000000, -0.0004311800000000 ] - [ 0.0032307400000000, 0.0018392000000000, -0.0004751200000000 ] - [ 0.0022293200000000, 0.0013937500000000, -0.0004297900000000 ] - [ 0.0025552700000000, 0.0023542400000000, -0.0025548400000000 ] - [ 0.0020238600000000, 0.0009165200000000, -0.0007845500000000 ] - [ 0.0031198700000000, 0.0015286100000000, -0.0004892000000000 ] - [ 0.0027326500000000, 0.0015212800000000, -0.0004842700000000 ] - [ 0.0030609200000000, 0.0011886600000000, 0.0002217100000000 ] - [ 0.0026751100000000, 0.0019332000000000, -0.0007289800000000 ] - [ 0.0000404500000000, -0.0007860600000000, 0.0035843400000000 ] - [ 0.0543312600000000, 0.0121078500000000, -0.0047621300000000 ] - [ -0.0035795500000000, -0.0018571700000000, 0.0007243000000000 ] - [ -0.0018342900000000, -0.0001891000000000, 0.0002046400000000 ] - [ -0.0028499100000000, -0.0016536500000000, 0.0004090100000000 ] - [ -0.0025780800000000, -0.0012854800000000, 0.0003354900000000 ] - [ -0.0030168000000000, -0.0015508400000000, -0.0008130500000000 ] - [ -0.0021621400000000, -0.0013407700000000, 0.0016300400000000 ] - [ -0.0028181500000000, -0.0015444900000000, 0.0002935600000000 ] - [ -0.0026792900000000, -0.0012260000000000, 0.0005550300000000 ] - [ -0.0028082200000000, -0.0015129800000000, 0.0003357600000000 ] - [ -0.0028151300000000, -0.0016314600000000, 0.0006058400000000 ] - [ 0.0271248300000000, -0.0041192600000000, -0.0021877500000000 ] - [ 0.0016338600000000, -0.0024535300000000, -0.0001656700000000 ] - [ 0.0026909200000000, -0.0017974400000000, -0.0004172800000000 ] - [ 0.0025936500000000, -0.0015459600000000, -0.0005002400000000 ] - [ 0.0032299300000000, -0.0013588700000000, 0.0006396500000000 ] - [ 0.0014309200000000, -0.0005369500000000, -0.0001301300000000 ] - [ 0.0035115000000000, -0.0023207300000000, 0.0000279100000000 ] - [ 0.0024865400000000, -0.0015526300000000, -0.0011826100000000 ] - [ 0.0028376700000000, -0.0015039800000000, -0.0003050900000000 ] - [ 0.0027274400000000, -0.0015004800000000, -0.0004666700000000 ] - [ 0.0032644000000000, -0.0012883300000000, -0.0003923000000000 ] - [ 0.0026100900000000, -0.0014967900000000, -0.0005779900000000 ]- atom: 1 displacement: [ -0.0099999821585070, 0.0000000000000000, 0.0000188899322986 ] forces: - [ 0.2099434100000000, 0.0134533800000000, 0.0105683100000000 ] - [ -0.0025193300000000, -0.0001787000000000, 0.0116798900000000 ] - [ 0.0042331400000000, -0.0031977200000000, 0.0099734100000000 ] - [ 0.0032567000000000, -0.0022227600000000, 0.0094650100000000 ] - [ 0.0042453800000000, -0.0027977700000000, 0.0100765800000000 ] - [ 0.0032500900000000, -0.0020717400000000, 0.0095312200000000 ] - [ 0.0017355900000000, -0.0007554000000000, 0.0138747000000000 ] - [ 0.0030770900000000, -0.0019998000000000, 0.0061584300000000 ] - [ 0.0041562800000000, -0.0020273100000000, 0.0099589000000000 ] - [ 0.0040168800000000, -0.0019988900000000, 0.0093231100000000 ] - [ 0.0041630700000000, -0.0019714200000000, 0.0098848000000000 ] - [ 0.0040130400000000, -0.0019450600000000, 0.0092220600000000 ] - [ -0.0070789400000000, 0.0020565500000000, -0.0088891200000000 ] - [ -0.0112191100000000, 0.0047894200000000, -0.0282306100000000 ] - [ -0.0044417600000000, 0.0015020500000000, -0.0092637400000000 ] - [ -0.0037271000000000, 0.0023372300000000, -0.0094203800000000 ] - [ -0.0042512500000000, 0.0020611700000000, -0.0093272100000000 ] - [ -0.0035960800000000, 0.0019382600000000, -0.0094964900000000 ] - [ -0.0089022500000000, 0.0006279700000000, -0.0166923800000000 ] - [ -0.0047390500000000, 0.0014838300000000, -0.0076721000000000 ] - [ -0.0040860700000000, 0.0018747300000000, -0.0097026200000000 ] - [ -0.0043435600000000, 0.0024612200000000, -0.0093826300000000 ] - [ -0.0037329900000000, 0.0025587200000000, -0.0097599600000000 ] - [ -0.0045882100000000, 0.0012262400000000, -0.0091353700000000 ] - [ -0.0080110900000000, 0.0036217600000000, -0.0085425100000000 ] - [ -0.0080433100000000, -0.0068316800000000, -0.0103545600000000 ] - [ -0.0080564900000000, -0.0043645500000000, -0.0097710800000000 ] - [ -0.0081207200000000, 0.0079048000000000, -0.0068470100000000 ] - [ -0.0041331200000000, -0.0022432800000000, -0.0095376700000000 ] - [ -0.0037744200000000, -0.0024402100000000, -0.0097245700000000 ] - [ -0.0040197000000000, -0.0018067600000000, -0.0099016200000000 ] - [ -0.0036352800000000, -0.0020829500000000, -0.0101817300000000 ] - [ -0.0040113600000000, -0.0024663200000000, -0.0096668200000000 ] - [ -0.0036429600000000, -0.0014507300000000, -0.0100345700000000 ] - [ -0.0040347000000000, -0.0020129600000000, -0.0094712900000000 ] - [ -0.0040959500000000, -0.0020299700000000, -0.0094211800000000 ] - [ 0.0048359600000000, 0.0004001500000000, 0.0146812900000000 ] - [ 0.0033693200000000, 0.0029022700000000, 0.0083811700000000 ] - [ 0.0041883900000000, 0.0017392000000000, 0.0095435400000000 ] - [ 0.0039378900000000, 0.0020001400000000, 0.0094763200000000 ] - [ 0.0054036800000000, 0.0039527100000000, 0.0114034800000000 ] - [ 0.0018940800000000, 0.0013817500000000, 0.0082947800000000 ] - [ 0.0048397000000000, 0.0029521700000000, 0.0117434100000000 ] - [ 0.0033614400000000, 0.0017889000000000, 0.0089205300000000 ] - [ 0.0041963400000000, 0.0016124900000000, 0.0094189000000000 ] - [ 0.0039334800000000, 0.0021025600000000, 0.0094606900000000 ] - [ 0.0054065600000000, 0.0012650700000000, 0.0126811800000000 ] - [ 0.0019014000000000, 0.0026404400000000, 0.0081226400000000 ] - [ -0.0292064200000000, -0.0080319200000000, -0.0069648200000000 ] - [ -0.0022203300000000, -0.0046432000000000, -0.0031493500000000 ] - [ -0.0003903900000000, -0.0021028700000000, 0.0019807600000000 ] - [ -0.0001107200000000, -0.0024249500000000, 0.0016674100000000 ] - [ -0.0004072500000000, -0.0038271700000000, 0.0017787300000000 ] - [ 0.0007302000000000, -0.0012735600000000, 0.0019107300000000 ] - [ 0.0005998400000000, -0.0020098600000000, 0.0011453800000000 ] - [ -0.0003698700000000, -0.0027581200000000, 0.0032284400000000 ] - [ -0.0002530700000000, -0.0022948400000000, 0.0015521200000000 ] - [ -0.0001667300000000, -0.0023582400000000, 0.0016027100000000 ] - [ -0.0002347000000000, -0.0024125400000000, 0.0015150300000000 ] - [ -0.0002256400000000, -0.0023246900000000, 0.0016515700000000 ] - [ -0.0202960500000000, 0.0036666200000000, 0.0004118900000000 ] - [ 0.0013298700000000, -0.0020088000000000, -0.0020852400000000 ] - [ 0.0019570600000000, -0.0022089400000000, -0.0033093600000000 ] - [ 0.0009842400000000, -0.0035580700000000, -0.0013115300000000 ] - [ 0.0001617700000000, -0.0022545300000000, -0.0017350100000000 ] - [ 0.0003209800000000, -0.0022413400000000, -0.0015401600000000 ] - [ 0.0002931000000000, -0.0025148300000000, -0.0024562600000000 ] - [ 0.0002198100000000, -0.0022425400000000, -0.0008660900000000 ] - [ 0.0001243200000000, -0.0025411600000000, -0.0020962200000000 ] - [ 0.0003221100000000, -0.0022784400000000, -0.0015045600000000 ] - [ 0.0001303400000000, -0.0022712200000000, -0.0016369000000000 ] - [ 0.0002765500000000, -0.0023338800000000, -0.0015819400000000 ] - [ 0.0013654300000000, 0.0030605300000000, 0.0003371900000000 ] - [ -0.0021187400000000, 0.0018424000000000, 0.0028454600000000 ] - [ -0.0001924800000000, 0.0024839600000000, 0.0015790500000000 ] - [ -0.0002024900000000, 0.0023199600000000, 0.0016162800000000 ] - [ -0.0000467900000000, 0.0019967500000000, 0.0009507400000000 ] - [ -0.0004460000000000, 0.0034980800000000, 0.0020180900000000 ] - [ -0.0007341800000000, 0.0035106600000000, 0.0018916200000000 ] - [ 0.0002859900000000, 0.0022379500000000, 0.0012403900000000 ] - [ -0.0002419500000000, 0.0023941800000000, 0.0016260200000000 ] - [ -0.0000886500000000, 0.0021967900000000, 0.0016285800000000 ] - [ -0.0011269300000000, 0.0018953600000000, 0.0016565400000000 ] - [ 0.0003410400000000, 0.0020789800000000, 0.0019153000000000 ] - [ 0.0025229600000000, -0.0009832800000000, 0.0012275900000000 ] - [ 0.0009986700000000, 0.0020744700000000, 0.0021646900000000 ] - [ 0.0002196300000000, 0.0027104400000000, -0.0022423900000000 ] - [ 0.0002265000000000, 0.0019527400000000, -0.0014788500000000 ] - [ 0.0001786800000000, 0.0023519400000000, -0.0016916900000000 ] - [ 0.0001458000000000, 0.0023668900000000, -0.0014715600000000 ] - [ -0.0121503100000000, 0.0041434000000000, -0.0033847200000000 ] - [ 0.0017293600000000, 0.0025734000000000, -0.0017662800000000 ] - [ 0.0000775400000000, 0.0019116300000000, -0.0013110200000000 ] - [ 0.0005979900000000, 0.0023257900000000, -0.0015909100000000 ] - [ -0.0001303900000000, 0.0023096200000000, -0.0016081800000000 ] - [ 0.0004649800000000, 0.0023342800000000, -0.0016358400000000 ] - [ -0.0018232400000000, 0.0010907000000000, 0.0004625600000000 ] - [ -0.0048057100000000, 0.0024593800000000, 0.0003344700000000 ] - [ -0.0022755800000000, 0.0013889100000000, 0.0007090200000000 ] - [ -0.0034872900000000, 0.0014219600000000, -0.0001176000000000 ] - [ -0.0027512200000000, 0.0015000000000000, 0.0004192900000000 ] - [ -0.0028145600000000, 0.0015571400000000, 0.0004771700000000 ] - [ -0.0008150600000000, -0.0003739500000000, 0.0025614600000000 ] - [ -0.0016622800000000, 0.0019424000000000, -0.0013815000000000 ] - [ -0.0025712700000000, 0.0019236000000000, 0.0011410700000000 ] - [ -0.0024494200000000, 0.0006617000000000, -0.0008481100000000 ] - [ -0.0027685700000000, 0.0014055200000000, 0.0004650700000000 ] - [ -0.0028257300000000, 0.0017646700000000, 0.0003911500000000 ] - [ -0.0223812300000000, -0.0047663200000000, 0.0122194600000000 ] - [ 0.0043690600000000, 0.0010262500000000, -0.0010606100000000 ] - [ 0.0025335200000000, 0.0015716900000000, -0.0006166900000000 ] - [ 0.0028594100000000, 0.0015524600000000, -0.0004464800000000 ] - [ 0.0023316200000000, 0.0011680800000000, -0.0004241400000000 ] - [ 0.0033319800000000, 0.0016239800000000, -0.0004516200000000 ] - [ 0.0030055500000000, 0.0006503900000000, 0.0017018900000000 ] - [ 0.0035248600000000, 0.0020864000000000, -0.0001154800000000 ] - [ 0.0024702900000000, 0.0014930600000000, -0.0003986400000000 ] - [ 0.0028200600000000, 0.0014852500000000, -0.0004037800000000 ] - [ 0.0024937500000000, 0.0018110300000000, -0.0010955600000000 ] - [ 0.0028926100000000, 0.0010878900000000, -0.0001491800000000 ] - [ -0.0054318700000000, -0.0022308200000000, -0.0026845800000000 ] - [ -0.0635775500000000, -0.0165754700000000, 0.0053097400000000 ] - [ -0.0019689600000000, -0.0011463400000000, 0.0001563100000000 ] - [ -0.0037459000000000, -0.0028233600000000, 0.0006816800000000 ] - [ -0.0027116200000000, -0.0013615600000000, 0.0004749700000000 ] - [ -0.0029835600000000, -0.0017326300000000, 0.0005368000000000 ] - [ -0.0025499600000000, -0.0014701000000000, 0.0017045000000000 ] - [ -0.0034058100000000, -0.0016769500000000, -0.0007390500000000 ] - [ -0.0027478800000000, -0.0014677400000000, 0.0005847200000000 ] - [ -0.0028978400000000, -0.0017891400000000, 0.0003434400000000 ] - [ -0.0027438300000000, -0.0014877000000000, 0.0005445200000000 ] - [ -0.0027564800000000, -0.0013827300000000, 0.0002745800000000 ] - [ -0.0216390700000000, 0.0013474300000000, 0.0015156900000000 ] - [ 0.0039415200000000, -0.0005837700000000, -0.0007306000000000 ] - [ 0.0028698200000000, -0.0012026700000000, -0.0004651500000000 ] - [ 0.0029687900000000, -0.0014786200000000, -0.0003869700000000 ] - [ 0.0023207200000000, -0.0016711200000000, -0.0014895500000000 ] - [ 0.0041207800000000, -0.0024713500000000, -0.0007548600000000 ] - [ 0.0020629200000000, -0.0006896000000000, -0.0009161000000000 ] - [ 0.0030745300000000, -0.0014555900000000, 0.0003054300000000 ] - [ 0.0027262300000000, -0.0015066200000000, -0.0005791700000000 ] - [ 0.0028400800000000, -0.0015173900000000, -0.0004127700000000 ] - [ 0.0022836200000000, -0.0017195000000000, -0.0004816300000000 ] - [ 0.0029509500000000, -0.0015159200000000, -0.0003057600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0108213100000000, -0.1982500300000000, 0.0138078400000000 ] - [ 0.0021908700000000, -0.0024056000000000, 0.0104615700000000 ] - [ 0.0048195700000000, 0.0022606900000000, 0.0083312600000000 ] - [ 0.0040603100000000, -0.0011567100000000, 0.0093300100000000 ] - [ 0.0051655500000000, 0.0021859500000000, 0.0087860700000000 ] - [ 0.0042255400000000, -0.0011443200000000, 0.0096759800000000 ] - [ 0.0027747100000000, -0.0030959500000000, 0.0109733800000000 ] - [ 0.0040111500000000, -0.0030777400000000, 0.0097770700000000 ] - [ 0.0039659400000000, -0.0010544100000000, 0.0096572300000000 ] - [ 0.0039403800000000, -0.0016248200000000, 0.0096273400000000 ] - [ 0.0040191600000000, -0.0010420900000000, 0.0089193100000000 ] - [ 0.0039966700000000, -0.0016121700000000, 0.0095051400000000 ] - [ -0.0040608100000000, 0.0005168500000000, -0.0096382000000000 ] - [ -0.0067969900000000, 0.0059778600000000, -0.0047644200000000 ] - [ -0.0035014600000000, 0.0035583200000000, -0.0098927000000000 ] - [ -0.0043457800000000, 0.0026287500000000, -0.0097436800000000 ] - [ -0.0040729400000000, 0.0026306200000000, -0.0095415000000000 ] - [ -0.0039400600000000, 0.0030078100000000, -0.0088402500000000 ] - [ -0.0026378000000000, -0.0004466900000000, -0.0117320800000000 ] - [ -0.0034632500000000, -0.0000584100000000, -0.0098764800000000 ] - [ -0.0038738100000000, 0.0029130900000000, -0.0089926600000000 ] - [ -0.0044772900000000, 0.0036299800000000, -0.0093611000000000 ] - [ -0.0045662100000000, 0.0028652000000000, -0.0098324900000000 ] - [ -0.0032250300000000, 0.0042242700000000, -0.0100066300000000 ] - [ -0.0063317300000000, -0.0016913900000000, -0.0094334200000000 ] - [ 0.0058305100000000, 0.0005491600000000, -0.0078172300000000 ] - [ 0.0017198400000000, -0.0016925800000000, -0.0076802100000000 ] - [ -0.0088900000000000, 0.0005372700000000, -0.0105693600000000 ] - [ -0.0042380500000000, -0.0002939400000000, -0.0093259200000000 ] - [ -0.0044415400000000, 0.0002507000000000, -0.0089984800000000 ] - [ -0.0044675900000000, -0.0024647000000000, -0.0097860700000000 ] - [ -0.0034377400000000, -0.0023641500000000, -0.0086821500000000 ] - [ -0.0037949300000000, -0.0024798200000000, -0.0093077900000000 ] - [ -0.0040788000000000, -0.0023830400000000, -0.0102342500000000 ] - [ -0.0040059400000000, -0.0011510900000000, -0.0095489800000000 ] - [ -0.0040234300000000, -0.0009278400000000, -0.0094183400000000 ] - [ 0.0049318400000000, 0.0038220800000000, -0.0000570400000000 ] - [ 0.0037732200000000, 0.0014791100000000, 0.0088457600000000 ] - [ 0.0036083900000000, 0.0039039400000000, 0.0097247300000000 ] - [ 0.0041082300000000, 0.0028870200000000, 0.0095075100000000 ] - [ 0.0032703300000000, 0.0039113700000000, 0.0128815000000000 ] - [ 0.0046406200000000, 0.0018672900000000, 0.0100078000000000 ] - [ 0.0023513300000000, 0.0038176800000000, 0.0131677500000000 ] - [ 0.0048881200000000, 0.0014818700000000, 0.0099586700000000 ] - [ 0.0037299900000000, 0.0039099400000000, 0.0097087200000000 ] - [ 0.0040061800000000, 0.0028889300000000, 0.0096236600000000 ] - [ 0.0059298300000000, 0.0039016700000000, 0.0027818500000000 ] - [ 0.0033860700000000, 0.0018596300000000, 0.0085833900000000 ] - [ 0.0069613300000000, 0.0174311800000000, 0.0066105500000000 ] - [ -0.0008190500000000, -0.0029484100000000, 0.0001931700000000 ] - [ -0.0000711800000000, -0.0034661500000000, 0.0009970300000000 ] - [ -0.0001459700000000, -0.0030860600000000, 0.0015752000000000 ] - [ 0.0008793900000000, -0.0030951600000000, 0.0019813400000000 ] - [ -0.0018683200000000, -0.0034889100000000, 0.0010162600000000 ] - [ -0.0000522900000000, -0.0015225300000000, 0.0013561800000000 ] - [ 0.0001240500000000, -0.0018027900000000, 0.0018124100000000 ] - [ -0.0003280200000000, -0.0029344600000000, 0.0017589900000000 ] - [ -0.0000930100000000, -0.0029210600000000, 0.0017266800000000 ] - [ 0.0000317200000000, -0.0025513300000000, 0.0017313300000000 ] - [ -0.0003933100000000, -0.0023604200000000, 0.0013960500000000 ] - [ -0.0053606900000000, 0.0271796500000000, 0.0022448300000000 ] - [ -0.0011881000000000, -0.0012213500000000, -0.0018293800000000 ] - [ -0.0021094900000000, 0.0010375900000000, -0.0000941900000000 ] - [ 0.0007413900000000, -0.0023280600000000, -0.0010814100000000 ] - [ 0.0000540800000000, -0.0036870000000000, -0.0013408500000000 ] - [ 0.0000157700000000, -0.0029824000000000, -0.0016748900000000 ] - [ 0.0002535300000000, -0.0013366900000000, -0.0001863500000000 ] - [ 0.0000063900000000, -0.0018717200000000, -0.0015639000000000 ] - [ 0.0000606300000000, -0.0027479700000000, -0.0024126400000000 ] - [ 0.0002361500000000, -0.0024537000000000, -0.0017571100000000 ] - [ 0.0001807200000000, -0.0030528400000000, -0.0014287600000000 ] - [ 0.0001503400000000, -0.0028109800000000, -0.0015836900000000 ] - [ -0.0020418100000000, 0.0034520800000000, 0.0024709800000000 ] - [ -0.0011338600000000, 0.0046440600000000, 0.0020925800000000 ] - [ -0.0002259500000000, 0.0015242200000000, 0.0016209800000000 ] - [ -0.0001813700000000, 0.0016346500000000, 0.0017411800000000 ] - [ -0.0001068300000000, 0.0025969200000000, 0.0017937000000000 ] - [ -0.0007241600000000, 0.0014449300000000, 0.0003183100000000 ] - [ -0.0005843100000000, 0.0030542800000000, 0.0000481700000000 ] - [ -0.0001091600000000, 0.0032897900000000, 0.0014457100000000 ] - [ -0.0002045200000000, 0.0015976900000000, 0.0015533400000000 ] - [ -0.0001594800000000, 0.0016432500000000, 0.0015943600000000 ] - [ 0.0008042200000000, 0.0017462400000000, 0.0023766100000000 ] - [ -0.0004585200000000, 0.0024113300000000, 0.0017842400000000 ] - [ 0.0013284500000000, 0.0020926500000000, -0.0003681300000000 ] - [ -0.0001807200000000, 0.0024086000000000, -0.0029345100000000 ] - [ -0.0001551800000000, 0.0014209400000000, -0.0000114200000000 ] - [ 0.0003615900000000, 0.0021825600000000, -0.0014036100000000 ] - [ 0.0004882300000000, 0.0015982500000000, -0.0016451100000000 ] - [ 0.0000979200000000, 0.0017926100000000, -0.0017677600000000 ] - [ -0.0020649600000000, 0.0212205600000000, -0.0091646400000000 ] - [ 0.0003750600000000, 0.0031709000000000, -0.0013345600000000 ] - [ 0.0004049100000000, 0.0011027900000000, -0.0026263700000000 ] - [ 0.0003756900000000, 0.0020129300000000, -0.0018213300000000 ] - [ 0.0007686500000000, 0.0013239400000000, -0.0016628400000000 ] - [ -0.0001574500000000, 0.0015881100000000, -0.0016195800000000 ] - [ -0.0028701600000000, 0.0018084300000000, 0.0005047100000000 ] - [ -0.0031666300000000, 0.0039579700000000, 0.0015940900000000 ] - [ -0.0031541600000000, 0.0014684600000000, 0.0006091800000000 ] - [ -0.0019008800000000, 0.0002124000000000, 0.0012129500000000 ] - [ -0.0027284400000000, 0.0011515800000000, 0.0004493500000000 ] - [ -0.0027260400000000, 0.0009168000000000, 0.0002431100000000 ] - [ -0.0023577900000000, 0.0016891000000000, 0.0011589500000000 ] - [ -0.0048768500000000, 0.0025477900000000, 0.0021911900000000 ] - [ -0.0031264400000000, 0.0004686800000000, -0.0002292300000000 ] - [ -0.0017440400000000, -0.0000779500000000, -0.0002368100000000 ] - [ -0.0025672800000000, 0.0009405100000000, 0.0004572700000000 ] - [ -0.0027437200000000, 0.0006426200000000, 0.0003663900000000 ] - [ 0.0097191500000000, 0.0270491600000000, -0.0133803100000000 ] - [ 0.0033610300000000, 0.0026934900000000, 0.0002228300000000 ] - [ 0.0033161700000000, 0.0008330100000000, -0.0001375800000000 ] - [ 0.0026398400000000, 0.0009286200000000, -0.0003718000000000 ] - [ 0.0026791000000000, 0.0003646800000000, -0.0018268000000000 ] - [ 0.0025122800000000, 0.0013889400000000, -0.0005341200000000 ] - [ 0.0045987400000000, 0.0019156000000000, 0.0007975200000000 ] - [ 0.0030107900000000, 0.0023446500000000, -0.0000669600000000 ] - [ 0.0027626900000000, 0.0009025200000000, -0.0004019900000000 ] - [ 0.0026033000000000, 0.0010353200000000, -0.0005348100000000 ] - [ 0.0022977200000000, 0.0009089500000000, 0.0011495400000000 ] - [ 0.0028180100000000, 0.0014029200000000, -0.0002611400000000 ] - [ -0.0039356700000000, -0.0021878200000000, -0.0017192800000000 ] - [ 0.0114254800000000, 0.0253573100000000, -0.0012095400000000 ] - [ -0.0039397500000000, -0.0016339800000000, 0.0004233300000000 ] - [ -0.0016872600000000, -0.0026547500000000, 0.0008675500000000 ] - [ -0.0025460200000000, -0.0021047000000000, 0.0003363400000000 ] - [ -0.0027479100000000, -0.0020537800000000, 0.0001156900000000 ] - [ -0.0028040100000000, -0.0008131000000000, 0.0006501200000000 ] - [ -0.0032721800000000, -0.0006795300000000, 0.0000610200000000 ] - [ -0.0028792800000000, -0.0015466700000000, 0.0001737500000000 ] - [ -0.0026931500000000, -0.0015831000000000, 0.0004355500000000 ] - [ -0.0027885200000000, -0.0019920900000000, 0.0005789000000000 ] - [ -0.0029671000000000, -0.0022320300000000, 0.0007374300000000 ] - [ -0.0035242100000000, 0.0449213900000000, 0.0077055900000000 ] - [ 0.0018455600000000, -0.0004993600000000, -0.0005819200000000 ] - [ 0.0024850300000000, -0.0025501600000000, -0.0005143400000000 ] - [ 0.0027838300000000, -0.0020224700000000, -0.0005504500000000 ] - [ 0.0032150700000000, 0.0025423600000000, -0.0006258800000000 ] - [ 0.0034040300000000, -0.0020704400000000, -0.0005619100000000 ] - [ 0.0027253900000000, -0.0002585500000000, 0.0008574900000000 ] - [ 0.0027369100000000, -0.0008921200000000, -0.0003483200000000 ] - [ 0.0029598900000000, -0.0020971900000000, -0.0004857300000000 ] - [ 0.0028376500000000, -0.0018593900000000, -0.0005010400000000 ] - [ 0.0025599100000000, -0.0019279800000000, -0.0008259200000000 ] - [ 0.0028155800000000, -0.0016383700000000, -0.0004832400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0190443100000000, 0.1936478200000000, 0.0047401200000000 ] - [ 0.0058564300000000, -0.0016308700000000, 0.0085177600000000 ] - [ 0.0032385800000000, -0.0062146400000000, 0.0106152800000000 ] - [ 0.0039672400000000, -0.0028966900000000, 0.0096485000000000 ] - [ 0.0028303300000000, -0.0062820300000000, 0.0102032200000000 ] - [ 0.0038167200000000, -0.0028878100000000, 0.0093060700000000 ] - [ 0.0052835200000000, -0.0009369600000000, 0.0080146600000000 ] - [ 0.0040351100000000, -0.0009553900000000, 0.0092186600000000 ] - [ 0.0040697300000000, -0.0029915000000000, 0.0093432800000000 ] - [ 0.0041028500000000, -0.0024253000000000, 0.0093629700000000 ] - [ 0.0040165100000000, -0.0029728000000000, 0.0100581300000000 ] - [ 0.0040418700000000, -0.0024156700000000, 0.0094829900000000 ] - [ -0.0039866400000000, 0.0035277800000000, -0.0093400300000000 ] - [ -0.0012178600000000, -0.0019527800000000, -0.0141825900000000 ] - [ -0.0045400500000000, 0.0004718900000000, -0.0090931500000000 ] - [ -0.0037030500000000, 0.0013973300000000, -0.0092518900000000 ] - [ -0.0039689100000000, 0.0014118400000000, -0.0094544800000000 ] - [ -0.0040968600000000, 0.0010339800000000, -0.0101546400000000 ] - [ -0.0054592100000000, 0.0044792800000000, -0.0073291600000000 ] - [ -0.0045609100000000, 0.0040939500000000, -0.0091234800000000 ] - [ -0.0041606800000000, 0.0011148900000000, -0.0099796000000000 ] - [ -0.0035746800000000, 0.0004073300000000, -0.0096176900000000 ] - [ -0.0034702400000000, 0.0011775900000000, -0.0091436800000000 ] - [ -0.0048046400000000, -0.0001787900000000, -0.0089711300000000 ] - [ -0.0016398900000000, -0.0023625900000000, -0.0095529100000000 ] - [ -0.0139691000000000, -0.0046113500000000, -0.0110992200000000 ] - [ -0.0097015900000000, -0.0023649200000000, -0.0112868600000000 ] - [ 0.0008401600000000, -0.0046246600000000, -0.0084197700000000 ] - [ -0.0037990400000000, -0.0037631100000000, -0.0096619300000000 ] - [ -0.0036033800000000, -0.0042879600000000, -0.0099874600000000 ] - [ -0.0035729700000000, -0.0015705300000000, -0.0091996700000000 ] - [ -0.0045970100000000, -0.0016664700000000, -0.0102722500000000 ] - [ -0.0042429100000000, -0.0015826000000000, -0.0096729500000000 ] - [ -0.0039678500000000, -0.0016848200000000, -0.0087558500000000 ] - [ -0.0040311900000000, -0.0029005100000000, -0.0094330900000000 ] - [ -0.0040145300000000, -0.0031185000000000, -0.0095693200000000 ] - [ 0.0031542800000000, 0.0002358800000000, 0.0189267400000000 ] - [ 0.0042579700000000, 0.0025452400000000, 0.0101284200000000 ] - [ 0.0044299700000000, 0.0001370300000000, 0.0092538800000000 ] - [ 0.0039314400000000, 0.0011537900000000, 0.0094738800000000 ] - [ 0.0047621400000000, 0.0001755000000000, 0.0060392200000000 ] - [ 0.0034008900000000, 0.0022036700000000, 0.0089667800000000 ] - [ 0.0056507500000000, 0.0002355300000000, 0.0058196800000000 ] - [ 0.0031585900000000, 0.0025514600000000, 0.0090261700000000 ] - [ 0.0043045000000000, 0.0001426800000000, 0.0092828500000000 ] - [ 0.0040368500000000, 0.0011562500000000, 0.0093649700000000 ] - [ 0.0020604100000000, 0.0001607500000000, 0.0162234500000000 ] - [ 0.0046782700000000, 0.0021951400000000, 0.0104300900000000 ] - [ -0.0071855700000000, -0.0219537200000000, -0.0033139500000000 ] - [ 0.0003987600000000, -0.0016201400000000, 0.0031009700000000 ] - [ -0.0003424600000000, -0.0011942000000000, 0.0022075200000000 ] - [ -0.0002500500000000, -0.0015687800000000, 0.0016451800000000 ] - [ -0.0013062800000000, -0.0015423800000000, 0.0012286500000000 ] - [ 0.0014663800000000, -0.0011681900000000, 0.0021858600000000 ] - [ -0.0003412500000000, -0.0031205600000000, 0.0018657500000000 ] - [ -0.0005125300000000, -0.0028184100000000, 0.0013877500000000 ] - [ -0.0000731300000000, -0.0017116500000000, 0.0014551900000000 ] - [ -0.0003028500000000, -0.0017267600000000, 0.0014853700000000 ] - [ -0.0004314100000000, -0.0020979900000000, 0.0014812400000000 ] - [ -0.0000090400000000, -0.0023075000000000, 0.0018278600000000 ] - [ 0.0067038200000000, -0.0339492600000000, -0.0057278900000000 ] - [ 0.0016035000000000, -0.0034478400000000, -0.0013796000000000 ] - [ 0.0024560400000000, -0.0054998300000000, -0.0030426300000000 ] - [ -0.0003453200000000, -0.0023083900000000, -0.0021403400000000 ] - [ 0.0003488500000000, -0.0009670700000000, -0.0018640700000000 ] - [ 0.0003800000000000, -0.0016720200000000, -0.0015450400000000 ] - [ 0.0001713700000000, -0.0033384800000000, -0.0030360600000000 ] - [ 0.0003900500000000, -0.0027895700000000, -0.0016676000000000 ] - [ 0.0003415600000000, -0.0018922600000000, -0.0008052700000000 ] - [ 0.0001705200000000, -0.0021930200000000, -0.0014629400000000 ] - [ 0.0002205300000000, -0.0016045800000000, -0.0017878400000000 ] - [ 0.0002565700000000, -0.0018470300000000, -0.0016314600000000 ] - [ 0.0016463700000000, 0.0012173400000000, 0.0007425800000000 ] - [ 0.0007363700000000, 0.0000497800000000, 0.0011325400000000 ] - [ -0.0001776000000000, 0.0031289900000000, 0.0016022100000000 ] - [ -0.0002247500000000, 0.0030228200000000, 0.0014762200000000 ] - [ -0.0003173200000000, 0.0020603700000000, 0.0014335200000000 ] - [ 0.0003410000000000, 0.0031954200000000, 0.0029255400000000 ] - [ 0.0001784800000000, 0.0016260100000000, 0.0031496300000000 ] - [ -0.0002900200000000, 0.0013894300000000, 0.0017703900000000 ] - [ -0.0002033000000000, 0.0030574300000000, 0.0016601500000000 ] - [ -0.0002375200000000, 0.0030059200000000, 0.0016233400000000 ] - [ -0.0012056200000000, 0.0029077400000000, 0.0008374600000000 ] - [ 0.0000523400000000, 0.0022361900000000, 0.0014163000000000 ] - [ -0.0008565900000000, 0.0024895500000000, -0.0028246300000000 ] - [ 0.0005667800000000, 0.0022208900000000, -0.0002876600000000 ] - [ 0.0005454100000000, 0.0032345200000000, -0.0031960400000000 ] - [ 0.0000372000000000, 0.0024694600000000, -0.0018084100000000 ] - [ -0.0000846800000000, 0.0030531200000000, -0.0015739100000000 ] - [ 0.0003064600000000, 0.0028495800000000, -0.0014424100000000 ] - [ 0.0024755500000000, -0.0167971400000000, 0.0062139500000000 ] - [ 0.0000190800000000, 0.0014615900000000, -0.0018788500000000 ] - [ -0.0000053100000000, 0.0035428700000000, -0.0006117200000000 ] - [ 0.0000332000000000, 0.0026422200000000, -0.0013913400000000 ] - [ -0.0003618100000000, 0.0033310800000000, -0.0015609800000000 ] - [ 0.0005593400000000, 0.0030588900000000, -0.0016062400000000 ] - [ -0.0026955300000000, 0.0011997500000000, 0.0003707000000000 ] - [ -0.0024004000000000, -0.0010043200000000, -0.0007490600000000 ] - [ -0.0024052400000000, 0.0015360700000000, 0.0002728600000000 ] - [ -0.0036429700000000, 0.0027907100000000, -0.0003082300000000 ] - [ -0.0028335000000000, 0.0018632500000000, 0.0004370500000000 ] - [ -0.0028545800000000, 0.0021079100000000, 0.0006421400000000 ] - [ -0.0032002900000000, 0.0012712000000000, -0.0002817300000000 ] - [ -0.0006989400000000, 0.0004460800000000, -0.0013087900000000 ] - [ -0.0024449200000000, 0.0025371300000000, 0.0010998700000000 ] - [ -0.0038281500000000, 0.0030907400000000, 0.0011351700000000 ] - [ -0.0029990700000000, 0.0020741400000000, 0.0004232000000000 ] - [ -0.0028243600000000, 0.0023654800000000, 0.0005161600000000 ] - [ -0.0041853900000000, -0.0238360300000000, 0.0121003200000000 ] - [ 0.0021939000000000, 0.0003394400000000, -0.0011085100000000 ] - [ 0.0022575000000000, 0.0021696600000000, -0.0007330800000000 ] - [ 0.0029395600000000, 0.0021001800000000, -0.0005138900000000 ] - [ 0.0028756400000000, 0.0026559400000000, 0.0009632900000000 ] - [ 0.0030473000000000, 0.0016030600000000, -0.0003359100000000 ] - [ 0.0009329400000000, 0.0011576500000000, -0.0017203200000000 ] - [ 0.0025733700000000, 0.0006815900000000, -0.0008139000000000 ] - [ 0.0028088200000000, 0.0021137900000000, -0.0004931900000000 ] - [ 0.0029702100000000, 0.0019862100000000, -0.0003534700000000 ] - [ 0.0032701300000000, 0.0020783100000000, -0.0020155800000000 ] - [ 0.0027409500000000, 0.0015998300000000, -0.0006189400000000 ] - [ -0.0016263400000000, -0.0008788000000000, 0.0025549100000000 ] - [ -0.0174924000000000, -0.0287218500000000, 0.0019051000000000 ] - [ -0.0016370600000000, -0.0013744000000000, 0.0004640400000000 ] - [ -0.0038681600000000, -0.0003686400000000, 0.0000210300000000 ] - [ -0.0030123800000000, -0.0009069800000000, 0.0005464700000000 ] - [ -0.0028104300000000, -0.0009567400000000, 0.0007615400000000 ] - [ -0.0027634700000000, -0.0022218000000000, 0.0002483400000000 ] - [ -0.0023077300000000, -0.0023428400000000, 0.0008243900000000 ] - [ -0.0026902400000000, -0.0014640600000000, 0.0007081200000000 ] - [ -0.0028792400000000, -0.0014270300000000, 0.0004395000000000 ] - [ -0.0027793000000000, -0.0010230100000000, 0.0002959900000000 ] - [ -0.0025932500000000, -0.0007863400000000, 0.0001471800000000 ] - [ 0.0083509500000000, -0.0447986100000000, -0.0076014800000000 ] - [ 0.0037196900000000, -0.0024956200000000, -0.0002970100000000 ] - [ 0.0030796900000000, -0.0004635300000000, -0.0003626500000000 ] - [ 0.0027843700000000, -0.0009828100000000, -0.0003286500000000 ] - [ 0.0023850700000000, -0.0058407300000000, -0.0002564200000000 ] - [ 0.0021514700000000, -0.0009557900000000, -0.0003217200000000 ] - [ 0.0028417300000000, -0.0027293200000000, -0.0017402600000000 ] - [ 0.0028243900000000, -0.0021136800000000, -0.0005303900000000 ] - [ 0.0026086800000000, -0.0009124000000000, -0.0004074300000000 ] - [ 0.0027268700000000, -0.0011532900000000, -0.0003758800000000 ] - [ 0.0030165000000000, -0.0011153800000000, -0.0000582100000000 ] - [ 0.0027463200000000, -0.0013859300000000, -0.0004059200000000 ]- atom: 1 displacement: [ -0.0037589592321771, 0.0000000000000000, 0.0092666188812765 ] forces: - [ 0.0796503500000000, 0.0074043500000000, -0.1844985000000000 ] - [ -0.0004602300000000, -0.0004238800000000, 0.0103137000000000 ] - [ 0.0035543000000000, -0.0031285200000000, 0.0089988400000000 ] - [ 0.0036947400000000, -0.0019219100000000, 0.0092724800000000 ] - [ 0.0036590200000000, -0.0033537600000000, 0.0090427600000000 ] - [ 0.0037588000000000, -0.0021896900000000, 0.0092908500000000 ] - [ -0.0008968100000000, -0.0001631000000000, 0.0160646700000000 ] - [ 0.0067937300000000, -0.0017550700000000, 0.0128173600000000 ] - [ 0.0037088200000000, -0.0025447400000000, 0.0103833200000000 ] - [ 0.0042762400000000, -0.0019982900000000, 0.0096802900000000 ] - [ 0.0036393200000000, -0.0018538100000000, 0.0103493400000000 ] - [ 0.0041800700000000, -0.0018647800000000, 0.0096378600000000 ] - [ -0.0057362600000000, 0.0018910600000000, -0.0096193600000000 ] - [ 0.0105013600000000, 0.0074426800000000, 0.0093357900000000 ] - [ -0.0043915400000000, 0.0014570800000000, -0.0095279000000000 ] - [ -0.0039763300000000, 0.0019180100000000, -0.0098113000000000 ] - [ -0.0042642500000000, 0.0019920400000000, -0.0096192800000000 ] - [ -0.0038562200000000, 0.0025954800000000, -0.0099324600000000 ] - [ 0.0008192600000000, -0.0005778400000000, -0.0031244400000000 ] - [ -0.0059713200000000, 0.0014644400000000, -0.0074883400000000 ] - [ -0.0038536500000000, 0.0024246200000000, -0.0096431500000000 ] - [ -0.0042411000000000, 0.0023092400000000, -0.0091097300000000 ] - [ -0.0036728100000000, 0.0019018100000000, -0.0092182100000000 ] - [ -0.0045578200000000, 0.0012435800000000, -0.0090507600000000 ] - [ -0.0052673100000000, -0.0015542300000000, -0.0110486200000000 ] - [ -0.0080248900000000, -0.0028887700000000, -0.0125353700000000 ] - [ -0.0064230700000000, -0.0029596900000000, -0.0115083400000000 ] - [ -0.0047494400000000, 0.0002041000000000, -0.0112116200000000 ] - [ -0.0040312900000000, -0.0022644000000000, -0.0096045100000000 ] - [ -0.0037109700000000, -0.0026489600000000, -0.0098028400000000 ] - [ -0.0038576600000000, -0.0021153400000000, -0.0089425900000000 ] - [ -0.0033671000000000, -0.0013615900000000, -0.0068697900000000 ] - [ -0.0036391000000000, -0.0019133500000000, -0.0088527900000000 ] - [ -0.0032169600000000, -0.0025441600000000, -0.0067962600000000 ] - [ -0.0040466300000000, -0.0019669900000000, -0.0093508500000000 ] - [ -0.0041117400000000, -0.0020999400000000, -0.0093600600000000 ] - [ 0.0022054800000000, -0.0020696400000000, 0.0127085400000000 ] - [ 0.0043111400000000, 0.0019197200000000, 0.0094242100000000 ] - [ 0.0041523600000000, 0.0017141700000000, 0.0094946900000000 ] - [ 0.0040162200000000, 0.0019000000000000, 0.0094934300000000 ] - [ 0.0015902000000000, 0.0089630100000000, 0.0131202400000000 ] - [ 0.0045045200000000, 0.0026436100000000, 0.0095166400000000 ] - [ -0.0004781200000000, 0.0112321200000000, 0.0115816900000000 ] - [ 0.0047986300000000, 0.0025322000000000, 0.0096257300000000 ] - [ 0.0040396000000000, 0.0016489500000000, 0.0094397400000000 ] - [ 0.0040005500000000, 0.0020440800000000, 0.0094869600000000 ] - [ 0.0027715800000000, -0.0014348900000000, 0.0135846800000000 ] - [ 0.0043409000000000, 0.0017733000000000, 0.0094489600000000 ] - [ -0.0017355100000000, -0.0006933400000000, 0.0161000500000000 ] - [ -0.0020477600000000, -0.0051809700000000, -0.0012492200000000 ] - [ -0.0001737100000000, -0.0021832900000000, 0.0018913500000000 ] - [ -0.0002807400000000, -0.0023378700000000, 0.0017449900000000 ] - [ -0.0008202500000000, -0.0022828800000000, 0.0017726800000000 ] - [ 0.0004495600000000, -0.0019827200000000, 0.0019631500000000 ] - [ 0.0007259100000000, -0.0021559600000000, 0.0002141400000000 ] - [ -0.0016283000000000, -0.0014841100000000, -0.0021048100000000 ] - [ -0.0000449000000000, -0.0022424800000000, 0.0014625400000000 ] - [ -0.0003642600000000, -0.0021971600000000, 0.0016554200000000 ] - [ -0.0000610700000000, -0.0022794200000000, 0.0012873500000000 ] - [ -0.0004212900000000, -0.0027507400000000, 0.0014323600000000 ] - [ -0.0087763500000000, 0.0013786200000000, 0.0153507700000000 ] - [ 0.0001875100000000, -0.0022462900000000, -0.0006221100000000 ] - [ 0.0016674200000000, -0.0021254200000000, -0.0014801800000000 ] - [ 0.0001419000000000, -0.0026249400000000, -0.0008489200000000 ] - [ 0.0002003700000000, -0.0020998600000000, -0.0015752000000000 ] - [ 0.0002090300000000, -0.0022115200000000, -0.0014809000000000 ] - [ 0.0005126500000000, -0.0019028100000000, -0.0029567400000000 ] - [ -0.0002036900000000, -0.0024114100000000, -0.0022132100000000 ] - [ 0.0001928800000000, -0.0035443100000000, -0.0026635400000000 ] - [ -0.0001032900000000, -0.0022919800000000, -0.0020525200000000 ] - [ 0.0002616000000000, -0.0023011000000000, -0.0017489600000000 ] - [ 0.0002045200000000, -0.0023454300000000, -0.0017144500000000 ] - [ 0.0019583100000000, 0.0026500000000000, 0.0012760400000000 ] - [ -0.0003273800000000, 0.0031366200000000, 0.0025284300000000 ] - [ -0.0001826500000000, 0.0025092600000000, 0.0016767400000000 ] - [ -0.0002219000000000, 0.0024411200000000, 0.0016530800000000 ] - [ 0.0007651200000000, 0.0019429700000000, 0.0020181800000000 ] - [ -0.0006100100000000, 0.0015544500000000, 0.0026821600000000 ] - [ -0.0013605100000000, 0.0004921600000000, -0.0001719900000000 ] - [ 0.0000749800000000, 0.0022149800000000, 0.0005748500000000 ] - [ -0.0001965400000000, 0.0022958700000000, 0.0015445100000000 ] - [ -0.0001620800000000, 0.0022944700000000, 0.0015179500000000 ] - [ -0.0004558900000000, 0.0024218700000000, 0.0009835100000000 ] - [ -0.0002061200000000, 0.0020189100000000, 0.0009411100000000 ] - [ 0.0032773500000000, -0.0006385300000000, 0.0022458000000000 ] - [ -0.0019618100000000, 0.0018103400000000, -0.0032005500000000 ] - [ 0.0004664000000000, 0.0033188800000000, -0.0022706300000000 ] - [ 0.0000932500000000, 0.0023195000000000, -0.0016651700000000 ] - [ 0.0003125900000000, 0.0022822300000000, -0.0016775600000000 ] - [ 0.0001635600000000, 0.0022656800000000, -0.0015736700000000 ] - [ -0.0024647800000000, -0.0027995000000000, 0.0309744000000000 ] - [ 0.0009066800000000, 0.0025427000000000, -0.0018183500000000 ] - [ 0.0000448000000000, 0.0009943200000000, -0.0012474500000000 ] - [ 0.0002278400000000, 0.0021682100000000, -0.0016594900000000 ] - [ -0.0001585500000000, 0.0024569700000000, -0.0014566700000000 ] - [ 0.0003553200000000, 0.0024179700000000, -0.0016290300000000 ] - [ -0.0023095600000000, 0.0009904000000000, 0.0000333100000000 ] - [ -0.0033268400000000, 0.0012831400000000, 0.0010952000000000 ] - [ -0.0025955100000000, 0.0014722800000000, 0.0000973600000000 ] - [ -0.0032221400000000, 0.0023784900000000, 0.0003934200000000 ] - [ -0.0027615900000000, 0.0015142000000000, 0.0003986000000000 ] - [ -0.0027886100000000, 0.0014235200000000, 0.0004705500000000 ] - [ -0.0038810000000000, 0.0028479600000000, 0.0008613800000000 ] - [ -0.0006923600000000, 0.0022249800000000, -0.0001587100000000 ] - [ -0.0027763900000000, 0.0012978800000000, 0.0012801300000000 ] - [ -0.0018327300000000, 0.0004699800000000, 0.0008632000000000 ] - [ -0.0028316000000000, 0.0016227800000000, 0.0004636300000000 ] - [ -0.0027640900000000, 0.0017694300000000, 0.0004423000000000 ] - [ -0.0183554600000000, -0.0107533600000000, 0.0487987000000000 ] - [ 0.0037012200000000, 0.0014499000000000, 0.0001656100000000 ] - [ 0.0025891300000000, 0.0014902800000000, -0.0004333900000000 ] - [ 0.0028075200000000, 0.0015419200000000, -0.0003038400000000 ] - [ 0.0025221400000000, 0.0002189000000000, 0.0001942900000000 ] - [ 0.0028124700000000, 0.0013399700000000, -0.0002799400000000 ] - [ 0.0051886500000000, 0.0011537500000000, 0.0038424900000000 ] - [ 0.0014413300000000, 0.0014563000000000, -0.0013909300000000 ] - [ 0.0026970400000000, 0.0016952800000000, -0.0005437300000000 ] - [ 0.0027795400000000, 0.0015408100000000, -0.0005338000000000 ] - [ 0.0031072200000000, 0.0021857600000000, -0.0016196500000000 ] - [ 0.0026260500000000, 0.0014613700000000, -0.0005015700000000 ] - [ -0.0044497700000000, -0.0031737400000000, -0.0007907700000000 ] - [ -0.0310488100000000, -0.0088094800000000, 0.0182840100000000 ] - [ -0.0025712100000000, -0.0015518200000000, 0.0007694800000000 ] - [ -0.0030846600000000, -0.0021916300000000, 0.0005815600000000 ] - [ -0.0027174700000000, -0.0014221600000000, 0.0005545100000000 ] - [ -0.0029576900000000, -0.0016544500000000, 0.0008211900000000 ] - [ -0.0032130700000000, -0.0009977300000000, -0.0008610800000000 ] - [ -0.0023659000000000, -0.0012635300000000, -0.0008502200000000 ] - [ -0.0029762100000000, -0.0016234200000000, 0.0002455200000000 ] - [ -0.0027676500000000, -0.0012890000000000, -0.0004533000000000 ] - [ -0.0028487600000000, -0.0014984900000000, 0.0003404000000000 ] - [ -0.0026939200000000, -0.0014057800000000, 0.0002164000000000 ] - [ -0.0093982800000000, 0.0051011600000000, 0.0250135900000000 ] - [ 0.0033450700000000, -0.0012188300000000, -0.0004419400000000 ] - [ 0.0029759700000000, -0.0012843700000000, -0.0002917000000000 ] - [ 0.0028454200000000, -0.0015020800000000, -0.0003858100000000 ] - [ 0.0048251800000000, -0.0014735400000000, -0.0004413800000000 ] - [ 0.0032898300000000, -0.0015469200000000, -0.0005728000000000 ] - [ 0.0033289800000000, -0.0006187200000000, -0.0016067100000000 ] - [ 0.0023343400000000, -0.0014749100000000, -0.0006977900000000 ] - [ 0.0027393800000000, -0.0013526000000000, -0.0006407400000000 ] - [ 0.0027388100000000, -0.0014841200000000, -0.0005223200000000 ] - [ 0.0033821700000000, -0.0023732000000000, -0.0013885000000000 ] - [ 0.0025589700000000, -0.0016029100000000, -0.0005121100000000 ]- atom: 1 displacement: [ 0.0037589592321771, 0.0000000000000000, -0.0092666188812765 ] forces: - [ -0.0714871800000000, -0.0122542100000000, 0.2054058100000000 ] - [ 0.0085016600000000, -0.0036005900000000, 0.0086778400000000 ] - [ 0.0044861500000000, -0.0009429700000000, 0.0099852700000000 ] - [ 0.0043462100000000, -0.0021120900000000, 0.0097131900000000 ] - [ 0.0043921800000000, -0.0006486000000000, 0.0099439700000000 ] - [ 0.0042859500000000, -0.0018536100000000, 0.0096913100000000 ] - [ 0.0089233600000000, -0.0038538600000000, 0.0028726600000000 ] - [ 0.0012927700000000, -0.0022739500000000, 0.0062276400000000 ] - [ 0.0043381600000000, -0.0014921700000000, 0.0086130400000000 ] - [ 0.0037691900000000, -0.0020370800000000, 0.0093126100000000 ] - [ 0.0044078600000000, -0.0021786700000000, 0.0086359300000000 ] - [ 0.0038573300000000, -0.0021717700000000, 0.0093461100000000 ] - [ -0.0022934400000000, 0.0021438500000000, -0.0093620600000000 ] - [ -0.0187383500000000, -0.0033802400000000, -0.0288484100000000 ] - [ -0.0036490500000000, 0.0025861500000000, -0.0094664600000000 ] - [ -0.0040677000000000, 0.0021262900000000, -0.0091736400000000 ] - [ -0.0037749200000000, 0.0020346000000000, -0.0093596900000000 ] - [ -0.0041956900000000, 0.0014374400000000, -0.0090536900000000 ] - [ -0.0088840800000000, 0.0045612300000000, -0.0158404200000000 ] - [ -0.0020643200000000, 0.0025702600000000, -0.0115279000000000 ] - [ -0.0041970700000000, 0.0016154000000000, -0.0093516100000000 ] - [ -0.0038006500000000, 0.0017213500000000, -0.0098777300000000 ] - [ -0.0043792700000000, 0.0021249700000000, -0.0097701300000000 ] - [ -0.0034782600000000, 0.0027980700000000, -0.0099474300000000 ] - [ -0.0027829400000000, -0.0025090200000000, -0.0079345300000000 ] - [ -0.0000130600000000, -0.0012268600000000, -0.0064379300000000 ] - [ -0.0016347300000000, -0.0010839200000000, -0.0074607900000000 ] - [ -0.0032926900000000, -0.0042024100000000, -0.0077704800000000 ] - [ -0.0040266400000000, -0.0017834900000000, -0.0093803400000000 ] - [ -0.0043277100000000, -0.0014033300000000, -0.0091876700000000 ] - [ -0.0041876200000000, -0.0019449000000000, -0.0100500100000000 ] - [ -0.0046921600000000, -0.0026900300000000, -0.0121190200000000 ] - [ -0.0043979900000000, -0.0021217200000000, -0.0101304500000000 ] - [ -0.0048074100000000, -0.0015051900000000, -0.0121520200000000 ] - [ -0.0040005600000000, -0.0020823400000000, -0.0096323700000000 ] - [ -0.0039288600000000, -0.0019465200000000, -0.0096191600000000 ] - [ 0.0057647600000000, 0.0059705900000000, 0.0063317800000000 ] - [ 0.0037478600000000, 0.0021365100000000, 0.0095634600000000 ] - [ 0.0038904100000000, 0.0023291200000000, 0.0094996100000000 ] - [ 0.0040284800000000, 0.0021480600000000, 0.0094836800000000 ] - [ 0.0064721000000000, -0.0049614700000000, 0.0058558300000000 ] - [ 0.0035488300000000, 0.0014110200000000, 0.0094726800000000 ] - [ 0.0085252200000000, -0.0070315700000000, 0.0074155600000000 ] - [ 0.0032416700000000, 0.0015246800000000, 0.0093641200000000 ] - [ 0.0040064800000000, 0.0023952800000000, 0.0095419100000000 ] - [ 0.0040386100000000, 0.0020027000000000, 0.0094938200000000 ] - [ 0.0052586600000000, 0.0054585700000000, 0.0053491900000000 ] - [ 0.0037122300000000, 0.0022711100000000, 0.0095402400000000 ] - [ 0.0013824000000000, -0.0038935300000000, -0.0130597100000000 ] - [ 0.0015986100000000, 0.0004982600000000, 0.0044574900000000 ] - [ -0.0002345600000000, -0.0024630600000000, 0.0013154700000000 ] - [ -0.0001125400000000, -0.0023035800000000, 0.0014747500000000 ] - [ 0.0004321500000000, -0.0023604300000000, 0.0014575200000000 ] - [ -0.0008736200000000, -0.0026735100000000, 0.0012421000000000 ] - [ -0.0011538700000000, -0.0025038300000000, 0.0030033900000000 ] - [ 0.0012382300000000, -0.0031539200000000, 0.0052745900000000 ] - [ -0.0003489000000000, -0.0023969500000000, 0.0017549700000000 ] - [ -0.0000414700000000, -0.0024564800000000, 0.0015621600000000 ] - [ -0.0003480200000000, -0.0023663200000000, 0.0019257600000000 ] - [ 0.0000252800000000, -0.0018946900000000, 0.0017966900000000 ] - [ 0.0093442900000000, -0.0061892500000000, -0.0185689500000000 ] - [ 0.0002054400000000, -0.0023947200000000, -0.0025966600000000 ] - [ -0.0012065300000000, -0.0024877300000000, -0.0017422400000000 ] - [ 0.0002449200000000, -0.0020333700000000, -0.0023676600000000 ] - [ 0.0002068700000000, -0.0025635800000000, -0.0016414200000000 ] - [ 0.0001882400000000, -0.0024318900000000, -0.0017330600000000 ] - [ -0.0001032200000000, -0.0027246900000000, -0.0002487300000000 ] - [ 0.0006084400000000, -0.0022362000000000, -0.0010061000000000 ] - [ 0.0002058600000000, -0.0011219900000000, -0.0005500300000000 ] - [ 0.0005015200000000, -0.0023640200000000, -0.0011633600000000 ] - [ 0.0001512700000000, -0.0023448700000000, -0.0014586900000000 ] - [ 0.0001905200000000, -0.0023027200000000, -0.0015084400000000 ] - [ -0.0023405600000000, 0.0019708700000000, 0.0019343000000000 ] - [ -0.0000842000000000, 0.0014997600000000, 0.0006737600000000 ] - [ -0.0002166600000000, 0.0021373400000000, 0.0015416100000000 ] - [ -0.0001828900000000, 0.0022131600000000, 0.0015647000000000 ] - [ -0.0011717400000000, 0.0027126900000000, 0.0012011700000000 ] - [ 0.0002095600000000, 0.0030887600000000, 0.0005180700000000 ] - [ 0.0009401500000000, 0.0041665500000000, 0.0034180500000000 ] - [ -0.0004727800000000, 0.0024306200000000, 0.0026359800000000 ] - [ -0.0002094400000000, 0.0023672900000000, 0.0016874600000000 ] - [ -0.0002433200000000, 0.0023579700000000, 0.0016894300000000 ] - [ 0.0000548900000000, 0.0022317700000000, 0.0022357100000000 ] - [ -0.0002048300000000, 0.0026392400000000, 0.0022826300000000 ] - [ -0.0028453100000000, 0.0053575700000000, -0.0055687800000000 ] - [ 0.0023424500000000, 0.0028294100000000, -0.0000097900000000 ] - [ -0.0000349600000000, 0.0013656400000000, -0.0009595700000000 ] - [ 0.0003049100000000, 0.0023336400000000, -0.0015519700000000 ] - [ 0.0000897600000000, 0.0023725800000000, -0.0015477900000000 ] - [ 0.0002480800000000, 0.0023894700000000, -0.0016317600000000 ] - [ 0.0027174600000000, 0.0067341800000000, -0.0322161300000000 ] - [ -0.0005008800000000, 0.0021100300000000, -0.0014121600000000 ] - [ 0.0003465000000000, 0.0036499600000000, -0.0019710500000000 ] - [ 0.0001762300000000, 0.0024796700000000, -0.0015458500000000 ] - [ 0.0005736100000000, 0.0021949100000000, -0.0017499200000000 ] - [ 0.0000403900000000, 0.0022325200000000, -0.0015936800000000 ] - [ -0.0032570300000000, 0.0020392300000000, 0.0008455400000000 ] - [ -0.0022759000000000, 0.0017103400000000, -0.0002368300000000 ] - [ -0.0029857400000000, 0.0015492300000000, 0.0007884300000000 ] - [ -0.0023567800000000, 0.0006358300000000, 0.0004939300000000 ] - [ -0.0027994200000000, 0.0014995300000000, 0.0004777200000000 ] - [ -0.0027850100000000, 0.0016057700000000, 0.0004208700000000 ] - [ -0.0016751600000000, 0.0001536000000000, 0.0000344200000000 ] - [ -0.0048613500000000, 0.0008208700000000, 0.0010377500000000 ] - [ -0.0028011700000000, 0.0017088500000000, -0.0003899600000000 ] - [ -0.0037385000000000, 0.0025454900000000, 0.0000385800000000 ] - [ -0.0027296600000000, 0.0013957000000000, 0.0004291800000000 ] - [ -0.0028055200000000, 0.0012430300000000, 0.0004480300000000 ] - [ 0.0246349600000000, 0.0149972300000000, -0.0532807300000000 ] - [ 0.0018438100000000, 0.0015317000000000, -0.0010487200000000 ] - [ 0.0029704500000000, 0.0015228300000000, -0.0004456800000000 ] - [ 0.0027573300000000, 0.0014726300000000, -0.0005909900000000 ] - [ 0.0030294000000000, 0.0027844900000000, -0.0010945300000000 ] - [ 0.0027484700000000, 0.0016739400000000, -0.0006053200000000 ] - [ 0.0003099000000000, 0.0018781400000000, -0.0045410300000000 ] - [ 0.0041238100000000, 0.0015457700000000, 0.0004989800000000 ] - [ 0.0028725000000000, 0.0013219600000000, -0.0003499500000000 ] - [ 0.0028021300000000, 0.0014809700000000, -0.0003526700000000 ] - [ 0.0024630500000000, 0.0008101200000000, 0.0007718100000000 ] - [ 0.0029433000000000, 0.0015577200000000, -0.0003920300000000 ] - [ -0.0011021200000000, 0.0001781700000000, 0.0016676500000000 ] - [ 0.0252251300000000, 0.0057324100000000, -0.0174290400000000 ] - [ -0.0029990100000000, -0.0014525300000000, 0.0001032900000000 ] - [ -0.0024814500000000, -0.0008113400000000, 0.0003011400000000 ] - [ -0.0028424100000000, -0.0015830800000000, 0.0003263900000000 ] - [ -0.0026047600000000, -0.0013511600000000, 0.0000514500000000 ] - [ -0.0023579700000000, -0.0020212800000000, 0.0017407100000000 ] - [ -0.0031826100000000, -0.0017456800000000, 0.0017372700000000 ] - [ -0.0025981600000000, -0.0013959500000000, 0.0006556400000000 ] - [ -0.0028087300000000, -0.0017241300000000, 0.0013289500000000 ] - [ -0.0027266100000000, -0.0015225600000000, 0.0005440800000000 ] - [ -0.0028636900000000, -0.0016002500000000, 0.0006777600000000 ] - [ 0.0147173100000000, -0.0077136700000000, -0.0255140700000000 ] - [ 0.0022390400000000, -0.0018041300000000, -0.0004577800000000 ] - [ 0.0026006100000000, -0.0017320700000000, -0.0005957900000000 ] - [ 0.0027224900000000, -0.0015064300000000, -0.0004971500000000 ] - [ 0.0006853900000000, -0.0015602600000000, -0.0004251000000000 ] - [ 0.0022711200000000, -0.0014644000000000, -0.0003140600000000 ] - [ 0.0022518200000000, -0.0024044400000000, 0.0006978400000000 ] - [ 0.0032275200000000, -0.0015468500000000, -0.0002049500000000 ] - [ 0.0028352600000000, -0.0016605400000000, -0.0002512000000000 ] - [ 0.0028139500000000, -0.0015243500000000, -0.0003634800000000 ] - [ 0.0021813000000000, -0.0006554600000000, 0.0004998400000000 ] - [ 0.0029972000000000, -0.0013922300000000, -0.0003637500000000 ]- atom: 49 displacement: [ 0.0099999821585070, 0.0000000000000000, -0.0000188899322986 ] forces: - [ 0.0330581700000000, 0.0047258900000000, 0.0195386000000000 ] - [ 0.0060453400000000, -0.0026455800000000, 0.0082894000000000 ] - [ 0.0042363500000000, -0.0009241200000000, 0.0089039900000000 ] - [ 0.0030686500000000, -0.0036899000000000, 0.0098192800000000 ] - [ 0.0042151200000000, -0.0018847900000000, 0.0096033900000000 ] - [ 0.0039366600000000, -0.0019686400000000, 0.0093655100000000 ] - [ 0.0032172200000000, -0.0018760900000000, 0.0101707800000000 ] - [ 0.0042017500000000, -0.0017014200000000, 0.0080571500000000 ] - [ 0.0040701800000000, -0.0017839500000000, 0.0096679700000000 ] - [ 0.0040584300000000, -0.0022105400000000, 0.0092646500000000 ] - [ 0.0040881600000000, -0.0021540700000000, 0.0096838500000000 ] - [ 0.0039857700000000, -0.0019209400000000, 0.0093071700000000 ] - [ -0.0063090400000000, 0.0031031600000000, -0.0071519400000000 ] - [ -0.0048590500000000, 0.0016426600000000, -0.0121492500000000 ] - [ -0.0040437100000000, 0.0016725100000000, -0.0092260800000000 ] - [ -0.0040526000000000, 0.0021800100000000, -0.0096212400000000 ] - [ -0.0040095000000000, 0.0022999600000000, -0.0093747500000000 ] - [ -0.0039692100000000, 0.0019052800000000, -0.0095168200000000 ] - [ 0.0081881900000000, -0.0002619200000000, -0.0073909200000000 ] - [ -0.0055499100000000, 0.0021895600000000, -0.0093556800000000 ] - [ -0.0038979800000000, 0.0022349100000000, -0.0096032400000000 ] - [ -0.0044215200000000, 0.0021910300000000, -0.0096286300000000 ] - [ -0.0036919900000000, 0.0025744200000000, -0.0097506200000000 ] - [ -0.0042869000000000, 0.0016587900000000, -0.0094314400000000 ] - [ -0.0057459900000000, 0.0002495900000000, -0.0086463000000000 ] - [ -0.0048050600000000, -0.0025644500000000, -0.0098631600000000 ] - [ 0.0167884200000000, 0.0042222700000000, -0.0109699200000000 ] - [ -0.0051865800000000, -0.0006377100000000, -0.0099782800000000 ] - [ -0.0039900800000000, -0.0018853400000000, -0.0094854900000000 ] - [ -0.0041375400000000, -0.0018509100000000, -0.0095308600000000 ] - [ -0.0039410100000000, -0.0018871100000000, -0.0094601300000000 ] - [ -0.0041366200000000, -0.0020600400000000, -0.0098725700000000 ] - [ -0.0041177400000000, -0.0020562900000000, -0.0091968900000000 ] - [ -0.0040399800000000, -0.0018292600000000, -0.0099359200000000 ] - [ -0.0039573600000000, -0.0020138200000000, -0.0094126400000000 ] - [ -0.0040974200000000, -0.0019764400000000, -0.0095176000000000 ] - [ 0.0045541500000000, 0.0024064100000000, 0.0084757200000000 ] - [ 0.0035377500000000, 0.0019442800000000, 0.0095992300000000 ] - [ 0.0040773500000000, 0.0020275500000000, 0.0095284100000000 ] - [ 0.0039201800000000, 0.0019839200000000, 0.0094954800000000 ] - [ 0.0049682500000000, 0.0010287500000000, 0.0096047500000000 ] - [ 0.0034738600000000, 0.0022802500000000, 0.0092717200000000 ] - [ 0.0024540300000000, 0.0038720200000000, 0.0111768200000000 ] - [ 0.0059307600000000, 0.0029842200000000, 0.0101372600000000 ] - [ 0.0040229000000000, 0.0020478200000000, 0.0095114200000000 ] - [ 0.0040228500000000, 0.0020016100000000, 0.0094659200000000 ] - [ 0.0038569100000000, 0.0019231200000000, 0.0104592200000000 ] - [ 0.0042764700000000, 0.0025560300000000, 0.0091492500000000 ] - [ -0.1230370500000000, -0.0126456300000000, 0.0000500800000000 ] - [ 0.0009897000000000, -0.0023947400000000, 0.0012876400000000 ] - [ -0.0000170100000000, -0.0024244900000000, 0.0013118800000000 ] - [ 0.0000114700000000, -0.0023319500000000, 0.0016685200000000 ] - [ -0.0000156900000000, -0.0027680500000000, 0.0013546400000000 ] - [ 0.0000130900000000, -0.0021120700000000, 0.0017590100000000 ] - [ -0.0002684600000000, -0.0027682500000000, 0.0006363700000000 ] - [ -0.0001767300000000, -0.0023431000000000, 0.0021987200000000 ] - [ -0.0003206800000000, -0.0023304700000000, 0.0015658100000000 ] - [ -0.0001083500000000, -0.0023053800000000, 0.0016581300000000 ] - [ -0.0003279300000000, -0.0024076500000000, 0.0014856700000000 ] - [ -0.0001045700000000, -0.0022654800000000, 0.0016515700000000 ] - [ -0.0017340000000000, 0.0028306400000000, 0.0001737800000000 ] - [ 0.0011868600000000, -0.0025464700000000, -0.0017238800000000 ] - [ -0.0017491300000000, -0.0055322000000000, 0.0007448500000000 ] - [ 0.0011874700000000, -0.0023180700000000, -0.0015345100000000 ] - [ 0.0001508200000000, -0.0023537200000000, -0.0016270600000000 ] - [ 0.0002662800000000, -0.0023294300000000, -0.0015586100000000 ] - [ 0.0001864100000000, -0.0020514300000000, -0.0022862800000000 ] - [ 0.0002731700000000, -0.0024348800000000, -0.0013336700000000 ] - [ 0.0001851800000000, -0.0025641500000000, -0.0021524700000000 ] - [ 0.0002695200000000, -0.0023547800000000, -0.0012263800000000 ] - [ 0.0001178800000000, -0.0023128200000000, -0.0016470700000000 ] - [ 0.0002781500000000, -0.0023670800000000, -0.0016033100000000 ] - [ -0.0006644400000000, 0.0051135100000000, -0.0032253800000000 ] - [ 0.0002818000000000, 0.0019221000000000, 0.0021037400000000 ] - [ -0.0002586000000000, 0.0024175000000000, 0.0015910800000000 ] - [ -0.0001046400000000, 0.0022973200000000, 0.0016591800000000 ] - [ -0.0006871700000000, 0.0017795800000000, 0.0012795300000000 ] - [ -0.0000126800000000, 0.0025412400000000, 0.0017402700000000 ] - [ -0.0006446200000000, -0.0008600500000000, -0.0019060800000000 ] - [ 0.0002872800000000, 0.0025335100000000, 0.0020977400000000 ] - [ -0.0002602000000000, 0.0022750000000000, 0.0015546000000000 ] - [ -0.0001136800000000, 0.0023026600000000, 0.0016337800000000 ] - [ -0.0006923000000000, 0.0025617900000000, 0.0014733900000000 ] - [ -0.0000106100000000, 0.0023216500000000, 0.0016570300000000 ] - [ -0.0006253100000000, 0.0026446500000000, -0.0027422100000000 ] - [ 0.0009246500000000, 0.0023553600000000, -0.0009665400000000 ] - [ -0.0000583400000000, 0.0022226900000000, -0.0016826200000000 ] - [ 0.0003732000000000, 0.0023009600000000, -0.0016078800000000 ] - [ 0.0002064700000000, 0.0022772300000000, -0.0017072900000000 ] - [ 0.0002468000000000, 0.0023431800000000, -0.0015645000000000 ] - [ 0.0073550500000000, 0.0097750500000000, -0.0082026600000000 ] - [ 0.0027942900000000, 0.0008784500000000, -0.0011504400000000 ] - [ 0.0000344700000000, 0.0015239400000000, -0.0018872200000000 ] - [ 0.0004698300000000, 0.0025184200000000, -0.0013701300000000 ] - [ -0.0001162000000000, 0.0022605100000000, -0.0014545300000000 ] - [ 0.0003771900000000, 0.0023001400000000, -0.0016146200000000 ] - [ -0.0025283200000000, 0.0011935600000000, 0.0004302500000000 ] - [ -0.0028549400000000, 0.0019171200000000, 0.0008735500000000 ] - [ -0.0024054800000000, 0.0016187000000000, 0.0004764400000000 ] - [ -0.0025774900000000, 0.0012710500000000, 0.0006409300000000 ] - [ -0.0028378300000000, 0.0014553300000000, 0.0004245100000000 ] - [ -0.0027656700000000, 0.0015042700000000, 0.0004422500000000 ] - [ -0.0046914300000000, 0.0002086900000000, 0.0024175700000000 ] - [ -0.0020781300000000, 0.0014895000000000, 0.0002828800000000 ] - [ -0.0045160200000000, 0.0016437600000000, 0.0012940600000000 ] - [ -0.0019559800000000, 0.0010097500000000, 0.0000421400000000 ] - [ -0.0027611400000000, 0.0014102300000000, 0.0004310100000000 ] - [ -0.0027447700000000, 0.0015788700000000, 0.0004649700000000 ] - [ 0.0041928600000000, 0.0012818700000000, 0.0052241000000000 ] - [ 0.0040071300000000, 0.0019589700000000, -0.0008666600000000 ] - [ 0.0028008900000000, 0.0014846300000000, -0.0002603300000000 ] - [ 0.0028959400000000, 0.0016415400000000, -0.0006381900000000 ] - [ 0.0025794000000000, 0.0018137600000000, -0.0004751000000000 ] - [ 0.0029307600000000, 0.0014022100000000, -0.0004497100000000 ] - [ 0.0041539400000000, 0.0007139000000000, -0.0008523000000000 ] - [ 0.0058133600000000, 0.0032908400000000, 0.0069882700000000 ] - [ 0.0027954500000000, 0.0015090700000000, -0.0003901100000000 ] - [ 0.0027094700000000, 0.0015670900000000, -0.0004962500000000 ] - [ 0.0027575600000000, 0.0015944300000000, -0.0007737500000000 ] - [ 0.0028203800000000, 0.0014152600000000, -0.0002743300000000 ] - [ 0.0218789600000000, -0.0182209300000000, -0.0110935300000000 ] - [ 0.0042869700000000, 0.0019168000000000, 0.0014782300000000 ] - [ -0.0035229800000000, 0.0044915900000000, -0.0009552400000000 ] - [ -0.0026046800000000, -0.0017336500000000, 0.0005724400000000 ] - [ -0.0026650300000000, -0.0014861800000000, 0.0004523300000000 ] - [ -0.0027778200000000, -0.0015740100000000, 0.0004469000000000 ] - [ -0.0040689000000000, -0.0011250200000000, -0.0001943400000000 ] - [ -0.0023714600000000, -0.0015770200000000, 0.0004551800000000 ] - [ -0.0028665800000000, -0.0015002900000000, 0.0003214400000000 ] - [ -0.0026251600000000, -0.0015645200000000, 0.0005359700000000 ] - [ -0.0028088500000000, -0.0015479300000000, 0.0004724300000000 ] - [ -0.0027172000000000, -0.0014925100000000, 0.0003664700000000 ] - [ 0.0165040500000000, -0.0112853200000000, 0.0010594600000000 ] - [ 0.0108289500000000, 0.0023477400000000, -0.0011517100000000 ] - [ 0.0026862100000000, -0.0017104700000000, -0.0003911100000000 ] - [ 0.0027181600000000, -0.0012098400000000, -0.0003940000000000 ] - [ 0.0029973100000000, -0.0012011100000000, -0.0000838300000000 ] - [ 0.0031365800000000, -0.0018490300000000, -0.0001343900000000 ] - [ 0.0028055500000000, -0.0016187100000000, -0.0003302000000000 ] - [ 0.0028658900000000, -0.0013833500000000, -0.0006104700000000 ] - [ 0.0027859200000000, -0.0015511700000000, -0.0004843500000000 ] - [ 0.0028021500000000, -0.0014700500000000, -0.0004507700000000 ] - [ 0.0027826200000000, -0.0013749000000000, -0.0003874500000000 ] - [ 0.0028437200000000, -0.0015519500000000, -0.0004939200000000 ]- atom: 49 displacement: [ -0.0099999821585070, 0.0000000000000000, 0.0000188899322986 ] forces: - [ -0.0267282400000000, -0.0094171200000000, -0.0012874200000000 ] - [ 0.0021673600000000, -0.0014307100000000, 0.0106318800000000 ] - [ 0.0038107300000000, -0.0031102500000000, 0.0100867000000000 ] - [ 0.0049654200000000, -0.0003604500000000, 0.0091676600000000 ] - [ 0.0038302800000000, -0.0021558900000000, 0.0093839300000000 ] - [ 0.0041040600000000, -0.0020705800000000, 0.0096192400000000 ] - [ 0.0048382500000000, -0.0021651300000000, 0.0087981000000000 ] - [ 0.0038368600000000, -0.0023448200000000, 0.0109809700000000 ] - [ 0.0039771600000000, -0.0022460300000000, 0.0093230800000000 ] - [ 0.0039906200000000, -0.0018220800000000, 0.0097217300000000 ] - [ 0.0039629700000000, -0.0018818100000000, 0.0093073400000000 ] - [ 0.0040538000000000, -0.0021162000000000, 0.0096813500000000 ] - [ -0.0016956500000000, 0.0009244800000000, -0.0118749700000000 ] - [ -0.0032362200000000, 0.0023863100000000, -0.0068469500000000 ] - [ -0.0040032700000000, 0.0023634600000000, -0.0097557100000000 ] - [ -0.0039860600000000, 0.0018557400000000, -0.0093658800000000 ] - [ -0.0040429700000000, 0.0017266600000000, -0.0096188600000000 ] - [ -0.0040699900000000, 0.0021191600000000, -0.0094659000000000 ] - [ -0.0163630700000000, 0.0042434700000000, -0.0116327300000000 ] - [ -0.0024816900000000, 0.0018393700000000, -0.0096395300000000 ] - [ -0.0041476500000000, 0.0018080100000000, -0.0093832400000000 ] - [ -0.0036210200000000, 0.0018446800000000, -0.0093631500000000 ] - [ -0.0043564200000000, 0.0014491000000000, -0.0092369800000000 ] - [ -0.0037481600000000, 0.0023733700000000, -0.0095581200000000 ] - [ -0.0023032500000000, -0.0043174600000000, -0.0103450900000000 ] - [ -0.0032330700000000, -0.0014758600000000, -0.0091102600000000 ] - [ -0.0245999800000000, -0.0078293200000000, -0.0081360000000000 ] - [ -0.0028606600000000, -0.0034228500000000, -0.0090037600000000 ] - [ -0.0040621300000000, -0.0021662000000000, -0.0095020900000000 ] - [ -0.0039075400000000, -0.0022023900000000, -0.0094601800000000 ] - [ -0.0041068600000000, -0.0021631800000000, -0.0095264000000000 ] - [ -0.0039019700000000, -0.0019855400000000, -0.0091162500000000 ] - [ -0.0039331000000000, -0.0019799700000000, -0.0097835600000000 ] - [ -0.0039973300000000, -0.0022130000000000, -0.0090408500000000 ] - [ -0.0040924100000000, -0.0020385500000000, -0.0095754600000000 ] - [ -0.0039460300000000, -0.0020737300000000, -0.0094690500000000 ] - [ 0.0034920300000000, 0.0016423000000000, 0.0105252200000000 ] - [ 0.0045127700000000, 0.0021143800000000, 0.0093924300000000 ] - [ 0.0039769700000000, 0.0020171700000000, 0.0094681600000000 ] - [ 0.0041246800000000, 0.0020564300000000, 0.0094904800000000 ] - [ 0.0030659800000000, 0.0030213600000000, 0.0093827600000000 ] - [ 0.0045716500000000, 0.0017668300000000, 0.0097134900000000 ] - [ 0.0055908100000000, 0.0001698800000000, 0.0078066800000000 ] - [ 0.0021355800000000, 0.0011003900000000, 0.0088597300000000 ] - [ 0.0040242300000000, 0.0019952600000000, 0.0094743900000000 ] - [ 0.0040196900000000, 0.0020370500000000, 0.0095136300000000 ] - [ 0.0041875300000000, 0.0021297100000000, 0.0085047200000000 ] - [ 0.0037738900000000, 0.0014940800000000, 0.0098382400000000 ] - [ 0.1236789500000000, 0.0088341700000000, 0.0046278400000000 ] - [ -0.0014019700000000, -0.0022628900000000, 0.0019304700000000 ] - [ -0.0003803800000000, -0.0022194000000000, 0.0019042300000000 ] - [ -0.0004146000000000, -0.0023146200000000, 0.0015425000000000 ] - [ -0.0003828800000000, -0.0018662400000000, 0.0018564700000000 ] - [ -0.0004130200000000, -0.0025369300000000, 0.0014531900000000 ] - [ -0.0001335500000000, -0.0018818200000000, 0.0025824500000000 ] - [ -0.0002214600000000, -0.0023045500000000, 0.0010081000000000 ] - [ -0.0000702000000000, -0.0023056400000000, 0.0016561500000000 ] - [ -0.0002974400000000, -0.0023444900000000, 0.0015439700000000 ] - [ -0.0000718800000000, -0.0022369200000000, 0.0017329700000000 ] - [ -0.0002955500000000, -0.0023739500000000, 0.0015588800000000 ] - [ 0.0021941100000000, -0.0075057600000000, -0.0033936500000000 ] - [ -0.0007765700000000, -0.0020987700000000, -0.0014938200000000 ] - [ 0.0021836500000000, 0.0008822600000000, -0.0039724700000000 ] - [ -0.0007721400000000, -0.0023226800000000, -0.0016903800000000 ] - [ 0.0002544700000000, -0.0022988700000000, -0.0015920000000000 ] - [ 0.0001477900000000, -0.0023242000000000, -0.0016567000000000 ] - [ 0.0002192000000000, -0.0026086600000000, -0.0009232200000000 ] - [ 0.0001389100000000, -0.0022221700000000, -0.0018817300000000 ] - [ 0.0002257000000000, -0.0020975200000000, -0.0010701800000000 ] - [ 0.0001355800000000, -0.0022955500000000, -0.0019860200000000 ] - [ 0.0002973200000000, -0.0023454900000000, -0.0015693800000000 ] - [ 0.0001276200000000, -0.0022885800000000, -0.0016256500000000 ] - [ 0.0002312900000000, -0.0004677000000000, 0.0064275600000000 ] - [ -0.0006899400000000, 0.0027313700000000, 0.0011068600000000 ] - [ -0.0001464400000000, 0.0022278400000000, 0.0016236000000000 ] - [ -0.0003021400000000, 0.0023691300000000, 0.0015649900000000 ] - [ 0.0002874500000000, 0.0028839300000000, 0.0019572900000000 ] - [ -0.0003965100000000, 0.0021192100000000, 0.0014773800000000 ] - [ 0.0002502000000000, 0.0055110600000000, 0.0051315300000000 ] - [ -0.0006923500000000, 0.0021141400000000, 0.0011203700000000 ] - [ -0.0001496400000000, 0.0023821900000000, 0.0016714300000000 ] - [ -0.0003030600000000, 0.0023548900000000, 0.0015813200000000 ] - [ 0.0002877400000000, 0.0020897600000000, 0.0017423700000000 ] - [ -0.0003975800000000, 0.0023374600000000, 0.0015653400000000 ] - [ 0.0010309800000000, 0.0020120200000000, -0.0004609900000000 ] - [ -0.0005232600000000, 0.0022912800000000, -0.0022490900000000 ] - [ 0.0004670600000000, 0.0024306500000000, -0.0015236000000000 ] - [ 0.0000199600000000, 0.0023470200000000, -0.0016193900000000 ] - [ 0.0001947700000000, 0.0023747900000000, -0.0015060800000000 ] - [ 0.0001528900000000, 0.0023081700000000, -0.0016521700000000 ] - [ -0.0070357100000000, -0.0052687800000000, 0.0050908200000000 ] - [ -0.0023682400000000, 0.0037507400000000, -0.0020630700000000 ] - [ 0.0003682200000000, 0.0031207400000000, -0.0013213900000000 ] - [ -0.0000705500000000, 0.0021291100000000, -0.0018470200000000 ] - [ 0.0005202400000000, 0.0023873200000000, -0.0017630900000000 ] - [ 0.0000189500000000, 0.0023402300000000, -0.0015968200000000 ] - [ -0.0030452000000000, 0.0018264500000000, 0.0004508000000000 ] - [ -0.0027144200000000, 0.0010939300000000, -0.0000030100000000 ] - [ -0.0031633300000000, 0.0013957000000000, 0.0004012600000000 ] - [ -0.0029862700000000, 0.0017323500000000, 0.0002304400000000 ] - [ -0.0027264000000000, 0.0015561600000000, 0.0004460900000000 ] - [ -0.0028097800000000, 0.0015154500000000, 0.0004409100000000 ] - [ -0.0008707100000000, 0.0028189800000000, -0.0015520100000000 ] - [ -0.0034898900000000, 0.0015148700000000, 0.0005983100000000 ] - [ -0.0010748900000000, 0.0013535100000000, -0.0004284600000000 ] - [ -0.0035986800000000, 0.0020015000000000, 0.0008368800000000 ] - [ -0.0027989200000000, 0.0016083200000000, 0.0004587800000000 ] - [ -0.0028209900000000, 0.0014372200000000, 0.0004117500000000 ] - [ 0.0014210800000000, 0.0017213400000000, -0.0061295400000000 ] - [ 0.0015644200000000, 0.0010436900000000, -0.0000034800000000 ] - [ 0.0027794700000000, 0.0015312500000000, -0.0006353100000000 ] - [ 0.0026706500000000, 0.0013721200000000, -0.0002455600000000 ] - [ 0.0029954200000000, 0.0011989000000000, -0.0004108800000000 ] - [ 0.0026430500000000, 0.0016136600000000, -0.0004327500000000 ] - [ 0.0014072100000000, 0.0023348100000000, -0.0000295000000000 ] - [ -0.0002354100000000, -0.0002744900000000, -0.0078607600000000 ] - [ 0.0027734900000000, 0.0015083000000000, -0.0004968500000000 ] - [ 0.0028570200000000, 0.0014545300000000, -0.0003822200000000 ] - [ 0.0028120200000000, 0.0014293300000000, -0.0001135300000000 ] - [ 0.0027498600000000, 0.0016050600000000, -0.0006100000000000 ] - [ -0.0269507600000000, 0.0146051000000000, 0.0115488300000000 ] - [ -0.0099481700000000, -0.0049725400000000, -0.0006158300000000 ] - [ -0.0020721500000000, -0.0075053400000000, 0.0018314400000000 ] - [ -0.0029870500000000, -0.0013022900000000, 0.0003193100000000 ] - [ -0.0029035400000000, -0.0015153000000000, 0.0004289700000000 ] - [ -0.0027940200000000, -0.0014405500000000, 0.0004360200000000 ] - [ -0.0014760400000000, -0.0018596400000000, 0.0010039700000000 ] - [ -0.0031985500000000, -0.0014475500000000, 0.0004373500000000 ] - [ -0.0026986400000000, -0.0015148200000000, 0.0005665600000000 ] - [ -0.0029566200000000, -0.0014548300000000, 0.0003490400000000 ] - [ -0.0027596400000000, -0.0014731300000000, 0.0004083600000000 ] - [ -0.0028563900000000, -0.0015199800000000, 0.0005136200000000 ] - [ -0.0111523900000000, 0.0084764300000000, -0.0019570900000000 ] - [ -0.0051091000000000, -0.0052900500000000, 0.0002557800000000 ] - [ 0.0028726100000000, -0.0012852600000000, -0.0004825700000000 ] - [ 0.0028563400000000, -0.0018064900000000, -0.0004750000000000 ] - [ 0.0025703700000000, -0.0018167500000000, -0.0007980400000000 ] - [ 0.0024081600000000, -0.0011577800000000, -0.0007375800000000 ] - [ 0.0027592700000000, -0.0013989200000000, -0.0005545000000000 ] - [ 0.0027043700000000, -0.0016373300000000, -0.0002793400000000 ] - [ 0.0027804700000000, -0.0014619300000000, -0.0004029200000000 ] - [ 0.0027561300000000, -0.0015426100000000, -0.0004306200000000 ] - [ 0.0027742800000000, -0.0016330000000000, -0.0004947600000000 ] - [ 0.0027276700000000, -0.0014652200000000, -0.0003860100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0099331900000000, 0.0176174800000000, 0.0136191600000000 ] - [ 0.0063142400000000, -0.0026752400000000, 0.0073601500000000 ] - [ 0.0055415100000000, -0.0027849500000000, 0.0101503400000000 ] - [ 0.0029484100000000, -0.0031850100000000, 0.0094212000000000 ] - [ 0.0037985700000000, -0.0031499000000000, 0.0095570800000000 ] - [ 0.0041263300000000, -0.0027747600000000, 0.0095128200000000 ] - [ 0.0037162500000000, -0.0012240600000000, 0.0095571900000000 ] - [ 0.0044694800000000, -0.0015086600000000, 0.0105954200000000 ] - [ 0.0041213000000000, -0.0022468600000000, 0.0095738500000000 ] - [ 0.0040291600000000, -0.0020490200000000, 0.0090260200000000 ] - [ 0.0039967900000000, -0.0026326400000000, 0.0095576200000000 ] - [ 0.0040571800000000, -0.0026121700000000, 0.0096466000000000 ] - [ -0.0007140400000000, 0.0018190800000000, -0.0114002600000000 ] - [ -0.0037915300000000, 0.0021065200000000, -0.0099566900000000 ] - [ -0.0044195800000000, 0.0011139200000000, -0.0085932300000000 ] - [ -0.0036660400000000, 0.0018727300000000, -0.0093511800000000 ] - [ -0.0040524400000000, 0.0012888200000000, -0.0095595200000000 ] - [ -0.0040715200000000, 0.0014883700000000, -0.0095808000000000 ] - [ -0.0058918600000000, 0.0209489200000000, -0.0152451300000000 ] - [ -0.0042738500000000, 0.0028672300000000, -0.0093637800000000 ] - [ -0.0036149600000000, 0.0007908400000000, -0.0107701900000000 ] - [ -0.0040323600000000, 0.0016991400000000, -0.0096629600000000 ] - [ -0.0040129600000000, 0.0010107700000000, -0.0093404900000000 ] - [ -0.0040262300000000, 0.0012751700000000, -0.0093941200000000 ] - [ -0.0038918000000000, 0.0011595700000000, -0.0096585700000000 ] - [ -0.0052457900000000, -0.0020371800000000, -0.0096672200000000 ] - [ 0.0025981500000000, 0.0294656500000000, -0.0112309900000000 ] - [ -0.0037346400000000, -0.0009019500000000, -0.0094571800000000 ] - [ -0.0039518500000000, -0.0033907600000000, -0.0097151200000000 ] - [ -0.0039333800000000, -0.0026896000000000, -0.0095721000000000 ] - [ -0.0042286900000000, -0.0024481000000000, -0.0082681400000000 ] - [ -0.0039682500000000, -0.0021555800000000, -0.0095121100000000 ] - [ -0.0042348000000000, -0.0010202200000000, -0.0100277800000000 ] - [ -0.0039424000000000, -0.0015664000000000, -0.0093626900000000 ] - [ -0.0039715800000000, -0.0027562200000000, -0.0095023000000000 ] - [ -0.0040288900000000, -0.0025071000000000, -0.0094744900000000 ] - [ 0.0052163200000000, 0.0027426900000000, 0.0119660200000000 ] - [ 0.0039387900000000, 0.0029807400000000, 0.0095802700000000 ] - [ 0.0041047400000000, 0.0012896900000000, 0.0095683600000000 ] - [ 0.0039083400000000, 0.0013364800000000, 0.0094872100000000 ] - [ 0.0035990800000000, 0.0014459700000000, 0.0092202000000000 ] - [ 0.0037772500000000, 0.0021120000000000, 0.0097258500000000 ] - [ 0.0047545400000000, 0.0031538600000000, 0.0094272200000000 ] - [ 0.0035297300000000, 0.0043308300000000, 0.0083996800000000 ] - [ 0.0041863500000000, 0.0012126700000000, 0.0093588900000000 ] - [ 0.0040162700000000, 0.0013246500000000, 0.0093693500000000 ] - [ 0.0036858700000000, 0.0022986400000000, 0.0097691300000000 ] - [ 0.0051994900000000, 0.0011579800000000, 0.0107962500000000 ] - [ -0.0116374200000000, -0.1343288500000000, 0.0099892600000000 ] - [ -0.0002618500000000, -0.0022254000000000, 0.0017109200000000 ] - [ -0.0006546800000000, -0.0014579600000000, 0.0020242000000000 ] - [ 0.0000071300000000, -0.0019595800000000, 0.0017580900000000 ] - [ -0.0003045700000000, -0.0014652400000000, 0.0015745800000000 ] - [ -0.0002105400000000, -0.0019534400000000, 0.0016869400000000 ] - [ -0.0006442000000000, -0.0026392600000000, 0.0019237500000000 ] - [ -0.0002238900000000, -0.0028324200000000, 0.0014058900000000 ] - [ -0.0002911000000000, -0.0019844900000000, 0.0013647900000000 ] - [ -0.0001493700000000, -0.0020839700000000, 0.0015452600000000 ] - [ -0.0002155400000000, -0.0019821200000000, 0.0016209600000000 ] - [ -0.0001826600000000, -0.0020834800000000, 0.0015887500000000 ] - [ 0.0033952800000000, 0.0048216400000000, 0.0018114400000000 ] - [ 0.0002114700000000, -0.0023510000000000, -0.0013322000000000 ] - [ -0.0050218900000000, 0.0049366100000000, -0.0069354600000000 ] - [ 0.0004277900000000, -0.0023455200000000, -0.0021296000000000 ] - [ 0.0002328500000000, -0.0017548600000000, -0.0017321600000000 ] - [ 0.0002089600000000, -0.0019151800000000, -0.0016066700000000 ] - [ 0.0004328600000000, -0.0023944000000000, -0.0019186100000000 ] - [ 0.0002269000000000, -0.0024186100000000, -0.0019566700000000 ] - [ -0.0000759200000000, -0.0023949600000000, -0.0015201500000000 ] - [ 0.0003063100000000, -0.0024209800000000, -0.0009507600000000 ] - [ 0.0001848400000000, -0.0019252800000000, -0.0016042700000000 ] - [ 0.0002390600000000, -0.0019623600000000, -0.0016367600000000 ] - [ 0.0029625400000000, 0.0009341900000000, -0.0061007400000000 ] - [ -0.0004142100000000, 0.0017486900000000, 0.0016943400000000 ] - [ -0.0001470000000000, 0.0029434000000000, 0.0014308100000000 ] - [ -0.0001763400000000, 0.0026052700000000, 0.0015440500000000 ] - [ -0.0004369600000000, 0.0035044200000000, 0.0022336100000000 ] - [ -0.0001985000000000, 0.0027194700000000, 0.0018554100000000 ] - [ -0.0029950500000000, 0.0009352600000000, 0.0050056200000000 ] - [ 0.0002068400000000, 0.0017462400000000, 0.0020319100000000 ] - [ -0.0002971100000000, 0.0029493700000000, 0.0018011200000000 ] - [ -0.0001630500000000, 0.0026020400000000, 0.0016305400000000 ] - [ 0.0003448400000000, 0.0034971000000000, 0.0008003500000000 ] - [ -0.0004132500000000, 0.0027109600000000, 0.0013554800000000 ] - [ 0.0005211800000000, 0.0016828700000000, -0.0004684100000000 ] - [ 0.0002371300000000, 0.0021656200000000, -0.0017763700000000 ] - [ 0.0001009800000000, 0.0026858200000000, -0.0021759600000000 ] - [ 0.0001826900000000, 0.0021912700000000, -0.0016766300000000 ] - [ 0.0001546400000000, 0.0027425800000000, -0.0016128100000000 ] - [ 0.0002161300000000, 0.0026963600000000, -0.0015978800000000 ] - [ 0.0076633600000000, 0.0021795600000000, -0.0063803200000000 ] - [ -0.0012343800000000, 0.0017677700000000, -0.0026889700000000 ] - [ -0.0005999600000000, 0.0027238300000000, -0.0010697900000000 ] - [ 0.0003983400000000, 0.0025776500000000, -0.0012069800000000 ] - [ 0.0001387900000000, 0.0027686400000000, -0.0015571000000000 ] - [ 0.0001870300000000, 0.0027635300000000, -0.0015481100000000 ] - [ -0.0031198600000000, 0.0015723100000000, -0.0001228400000000 ] - [ -0.0025995500000000, 0.0014514200000000, 0.0005778900000000 ] - [ -0.0021184700000000, 0.0016197300000000, 0.0006901500000000 ] - [ -0.0032430500000000, 0.0015562300000000, 0.0001069600000000 ] - [ -0.0028305900000000, 0.0018324200000000, 0.0005176100000000 ] - [ -0.0028298100000000, 0.0018120100000000, 0.0004799800000000 ] - [ -0.0054529600000000, 0.0090202200000000, -0.0043101100000000 ] - [ -0.0025444900000000, 0.0012774700000000, 0.0003600200000000 ] - [ 0.0006450200000000, 0.0097317300000000, 0.0074007700000000 ] - [ -0.0028609800000000, 0.0014573300000000, 0.0004647600000000 ] - [ -0.0027784800000000, 0.0019409600000000, 0.0005354100000000 ] - [ -0.0028553000000000, 0.0018558200000000, 0.0004873500000000 ] - [ 0.0027847300000000, -0.0010648900000000, 0.0001584100000000 ] - [ 0.0025830000000000, 0.0003468100000000, -0.0002319200000000 ] - [ 0.0026432100000000, 0.0020169600000000, -0.0006786000000000 ] - [ 0.0031322800000000, 0.0021129600000000, -0.0006858100000000 ] - [ 0.0029615200000000, 0.0017981400000000, -0.0003166800000000 ] - [ 0.0027506500000000, 0.0016677000000000, -0.0004059800000000 ] - [ 0.0028007600000000, 0.0002333000000000, -0.0005879400000000 ] - [ 0.0015282000000000, -0.0022948600000000, -0.0022438600000000 ] - [ 0.0026911600000000, 0.0017710600000000, -0.0003957900000000 ] - [ 0.0030555000000000, 0.0019729400000000, -0.0003425000000000 ] - [ 0.0028549100000000, 0.0016167500000000, -0.0005860500000000 ] - [ 0.0027761200000000, 0.0019725800000000, -0.0006910200000000 ] - [ -0.0206413400000000, 0.0255103600000000, 0.0122473000000000 ] - [ -0.0004662800000000, -0.0021197700000000, 0.0009001800000000 ] - [ 0.0010961400000000, 0.0080490800000000, -0.0034705800000000 ] - [ -0.0031427400000000, -0.0016585900000000, 0.0003689000000000 ] - [ -0.0027763500000000, -0.0011556100000000, 0.0004126100000000 ] - [ -0.0027320100000000, -0.0011592500000000, 0.0004063200000000 ] - [ -0.0017325700000000, -0.0019949900000000, -0.0031566200000000 ] - [ -0.0028835700000000, -0.0016719400000000, 0.0004790400000000 ] - [ -0.0026734200000000, -0.0015952600000000, 0.0008013500000000 ] - [ -0.0027525000000000, -0.0014773900000000, 0.0005296200000000 ] - [ -0.0027672200000000, -0.0011085400000000, 0.0003527000000000 ] - [ -0.0027074800000000, -0.0011787900000000, 0.0003749800000000 ] - [ -0.0031274700000000, -0.0020105700000000, -0.0004599600000000 ] - [ 0.0089818900000000, -0.0035266200000000, -0.0003971000000000 ] - [ 0.0025133900000000, -0.0011329500000000, -0.0004090900000000 ] - [ 0.0029029800000000, -0.0010035500000000, -0.0003204500000000 ] - [ 0.0039095300000000, -0.0006600000000000, -0.0006508000000000 ] - [ 0.0020241900000000, -0.0006505900000000, -0.0002870100000000 ] - [ 0.0029197700000000, -0.0020620500000000, -0.0007940000000000 ] - [ 0.0030792400000000, -0.0021545400000000, -0.0001676700000000 ] - [ 0.0027074500000000, -0.0013016900000000, -0.0004809200000000 ] - [ 0.0027756500000000, -0.0013116200000000, -0.0003611900000000 ] - [ 0.0028342800000000, -0.0011688500000000, -0.0002635600000000 ] - [ 0.0025785400000000, -0.0010482600000000, -0.0006178100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021021200000000, -0.0217671200000000, 0.0052865600000000 ] - [ 0.0017427200000000, -0.0013436400000000, 0.0116352700000000 ] - [ 0.0025226500000000, -0.0012412200000000, 0.0088425600000000 ] - [ 0.0050941400000000, -0.0008509300000000, 0.0095610900000000 ] - [ 0.0042508900000000, -0.0008794000000000, 0.0094320500000000 ] - [ 0.0039205800000000, -0.0012538300000000, 0.0094719200000000 ] - [ 0.0043318800000000, -0.0028126900000000, 0.0094297600000000 ] - [ 0.0035821200000000, -0.0025270200000000, 0.0084339000000000 ] - [ 0.0039267200000000, -0.0017865500000000, 0.0094089200000000 ] - [ 0.0040159000000000, -0.0019860400000000, 0.0099530300000000 ] - [ 0.0040488700000000, -0.0013969800000000, 0.0094294500000000 ] - [ 0.0039878100000000, -0.0014191800000000, 0.0093387600000000 ] - [ -0.0073337600000000, 0.0022149900000000, -0.0076145300000000 ] - [ -0.0042843700000000, 0.0019174200000000, -0.0090528400000000 ] - [ -0.0036221200000000, 0.0029362600000000, -0.0103856300000000 ] - [ -0.0043766900000000, 0.0021585400000000, -0.0096300800000000 ] - [ -0.0039939700000000, 0.0027539900000000, -0.0094321500000000 ] - [ -0.0039738700000000, 0.0025461700000000, -0.0094036000000000 ] - [ -0.0021793600000000, -0.0170683700000000, -0.0034639700000000 ] - [ -0.0037724400000000, 0.0011688100000000, -0.0096272400000000 ] - [ -0.0044263300000000, 0.0032384800000000, -0.0082331200000000 ] - [ -0.0040123500000000, 0.0023380900000000, -0.0093197900000000 ] - [ -0.0040370200000000, 0.0030183300000000, -0.0096481400000000 ] - [ -0.0040148100000000, 0.0027561600000000, -0.0095911500000000 ] - [ -0.0040980600000000, -0.0053690900000000, -0.0093537100000000 ] - [ -0.0027927200000000, -0.0020119500000000, -0.0093134200000000 ] - [ -0.0097126600000000, -0.0316507000000000, -0.0080361800000000 ] - [ -0.0043249300000000, -0.0031267600000000, -0.0095304400000000 ] - [ -0.0040943200000000, -0.0006531800000000, -0.0092683800000000 ] - [ -0.0041120700000000, -0.0013584100000000, -0.0094132100000000 ] - [ -0.0038175300000000, -0.0015896000000000, -0.0107208100000000 ] - [ -0.0040756200000000, -0.0018885700000000, -0.0094724900000000 ] - [ -0.0038062900000000, -0.0030139600000000, -0.0089613700000000 ] - [ -0.0041002500000000, -0.0024724300000000, -0.0096245400000000 ] - [ -0.0040774900000000, -0.0012937200000000, -0.0094856700000000 ] - [ -0.0040173000000000, -0.0015403700000000, -0.0095151700000000 ] - [ 0.0028374600000000, 0.0013160500000000, 0.0070342400000000 ] - [ 0.0041091400000000, 0.0010710000000000, 0.0094027200000000 ] - [ 0.0039397600000000, 0.0027534400000000, 0.0094183100000000 ] - [ 0.0041431600000000, 0.0027079400000000, 0.0095058300000000 ] - [ 0.0044565800000000, 0.0026071300000000, 0.0097644800000000 ] - [ 0.0042652200000000, 0.0019307800000000, 0.0092517400000000 ] - [ 0.0032880500000000, 0.0009131400000000, 0.0095616100000000 ] - [ 0.0045076500000000, -0.0002616300000000, 0.0105668200000000 ] - [ 0.0038577800000000, 0.0028209800000000, 0.0096241000000000 ] - [ 0.0040315400000000, 0.0027175400000000, 0.0096225700000000 ] - [ 0.0043692500000000, 0.0017614600000000, 0.0092170200000000 ] - [ 0.0028373700000000, 0.0029020800000000, 0.0081779100000000 ] - [ 0.0098250600000000, 0.1284890700000000, -0.0061805100000000 ] - [ -0.0001376500000000, -0.0024253500000000, 0.0015096300000000 ] - [ 0.0002502800000000, -0.0031751500000000, 0.0011854300000000 ] - [ -0.0004133000000000, -0.0026879700000000, 0.0014576800000000 ] - [ -0.0001044600000000, -0.0031896600000000, 0.0016415100000000 ] - [ -0.0001944100000000, -0.0026892100000000, 0.0015292400000000 ] - [ 0.0002370400000000, -0.0020138500000000, 0.0012983900000000 ] - [ -0.0001861000000000, -0.0018265300000000, 0.0018051100000000 ] - [ -0.0001151700000000, -0.0026659400000000, 0.0018513500000000 ] - [ -0.0002552300000000, -0.0025666600000000, 0.0016717700000000 ] - [ -0.0001904300000000, -0.0026667000000000, 0.0015942700000000 ] - [ -0.0002247500000000, -0.0025692500000000, 0.0016251400000000 ] - [ -0.0030390200000000, -0.0095893900000000, -0.0051021800000000 ] - [ 0.0002014400000000, -0.0022991600000000, -0.0018802800000000 ] - [ 0.0053330600000000, -0.0094756500000000, 0.0036233300000000 ] - [ -0.0000192600000000, -0.0022983200000000, -0.0010917500000000 ] - [ 0.0001753300000000, -0.0028958400000000, -0.0014836700000000 ] - [ 0.0002009500000000, -0.0027362800000000, -0.0016137500000000 ] - [ -0.0000226500000000, -0.0022604100000000, -0.0012929100000000 ] - [ 0.0001715800000000, -0.0022230500000000, -0.0012618800000000 ] - [ 0.0004802100000000, -0.0022588700000000, -0.0016968500000000 ] - [ 0.0000979500000000, -0.0022299600000000, -0.0022556300000000 ] - [ 0.0002203500000000, -0.0027250600000000, -0.0016154100000000 ] - [ 0.0001673800000000, -0.0026881400000000, -0.0015800200000000 ] - [ -0.0033666700000000, 0.0036531700000000, 0.0092934100000000 ] - [ 0.0000109600000000, 0.0029013800000000, 0.0015251600000000 ] - [ -0.0002540000000000, 0.0017086500000000, 0.0017855800000000 ] - [ -0.0002330100000000, 0.0020503800000000, 0.0016716500000000 ] - [ 0.0000350800000000, 0.0011483200000000, 0.0009844100000000 ] - [ -0.0002090500000000, 0.0019419700000000, 0.0013700500000000 ] - [ 0.0025695700000000, 0.0036578800000000, -0.0018149900000000 ] - [ -0.0006055100000000, 0.0028983600000000, 0.0011831200000000 ] - [ -0.0001136300000000, 0.0017102200000000, 0.0014169100000000 ] - [ -0.0002426200000000, 0.0020492500000000, 0.0015826700000000 ] - [ -0.0007600300000000, 0.0011448100000000, 0.0024274800000000 ] - [ 0.0000068000000000, 0.0019368100000000, 0.0018526900000000 ] - [ -0.0001161300000000, 0.0029699300000000, -0.0027444100000000 ] - [ 0.0001689100000000, 0.0024906400000000, -0.0014431100000000 ] - [ 0.0003099000000000, 0.0019698100000000, -0.0010412600000000 ] - [ 0.0002248300000000, 0.0024614600000000, -0.0015378500000000 ] - [ 0.0002537900000000, 0.0019128600000000, -0.0016027900000000 ] - [ 0.0001844100000000, 0.0019495200000000, -0.0016168200000000 ] - [ -0.0073626700000000, 0.0024962700000000, 0.0032305000000000 ] - [ 0.0016426600000000, 0.0028856100000000, -0.0005181400000000 ] - [ 0.0009956100000000, 0.0019293500000000, -0.0021426700000000 ] - [ 0.0000100300000000, 0.0020797500000000, -0.0020090000000000 ] - [ 0.0002699600000000, 0.0018833900000000, -0.0016574100000000 ] - [ 0.0002211200000000, 0.0018901000000000, -0.0016671500000000 ] - [ -0.0024591500000000, 0.0014446700000000, 0.0009993900000000 ] - [ -0.0029835900000000, 0.0015749900000000, 0.0003092000000000 ] - [ -0.0034512200000000, 0.0013975900000000, 0.0001963600000000 ] - [ -0.0023313900000000, 0.0014609700000000, 0.0007778100000000 ] - [ -0.0027309900000000, 0.0011795100000000, 0.0003626600000000 ] - [ -0.0027420900000000, 0.0012091400000000, 0.0004054800000000 ] - [ -0.0000765200000000, -0.0061106100000000, 0.0052961100000000 ] - [ -0.0030207200000000, 0.0017293500000000, 0.0005030300000000 ] - [ -0.0061393500000000, -0.0065829100000000, -0.0064122700000000 ] - [ -0.0027031600000000, 0.0015487700000000, 0.0004079000000000 ] - [ -0.0027959500000000, 0.0010783900000000, 0.0003376600000000 ] - [ -0.0027145100000000, 0.0011645200000000, 0.0003903200000000 ] - [ 0.0028055900000000, 0.0040839800000000, -0.0010187700000000 ] - [ 0.0029966900000000, 0.0026704400000000, -0.0006523700000000 ] - [ 0.0029247300000000, 0.0010036300000000, -0.0001988100000000 ] - [ 0.0024425300000000, 0.0009169500000000, -0.0001963800000000 ] - [ 0.0026100800000000, 0.0012131900000000, -0.0005696000000000 ] - [ 0.0028190100000000, 0.0013393100000000, -0.0004721600000000 ] - [ 0.0027675100000000, 0.0027892400000000, -0.0002966500000000 ] - [ 0.0040164800000000, 0.0053068100000000, 0.0013120600000000 ] - [ 0.0028780300000000, 0.0012498100000000, -0.0004856500000000 ] - [ 0.0025297400000000, 0.0010497100000000, -0.0005370100000000 ] - [ 0.0027034400000000, 0.0013990400000000, -0.0002946000000000 ] - [ 0.0028006100000000, 0.0010414000000000, -0.0001932100000000 ] - [ 0.0157051300000000, -0.0290618100000000, -0.0117732300000000 ] - [ -0.0050512000000000, -0.0008799500000000, -0.0000216700000000 ] - [ -0.0066252100000000, -0.0109067700000000, 0.0042857800000000 ] - [ -0.0024263800000000, -0.0013635500000000, 0.0005141800000000 ] - [ -0.0028016600000000, -0.0018657500000000, 0.0004744000000000 ] - [ -0.0028475200000000, -0.0018610100000000, 0.0004794400000000 ] - [ -0.0038100500000000, -0.0009925200000000, 0.0039924100000000 ] - [ -0.0026903000000000, -0.0013326000000000, 0.0004046700000000 ] - [ -0.0029015100000000, -0.0014269800000000, 0.0000927400000000 ] - [ -0.0028157500000000, -0.0015304700000000, 0.0003525600000000 ] - [ -0.0028100300000000, -0.0019094000000000, 0.0005307500000000 ] - [ -0.0028559600000000, -0.0018258000000000, 0.0004952300000000 ] - [ 0.0087169500000000, -0.0010497200000000, -0.0004043400000000 ] - [ -0.0033767300000000, 0.0004693900000000, -0.0004736100000000 ] - [ 0.0030474000000000, -0.0018773300000000, -0.0004699900000000 ] - [ 0.0026646500000000, -0.0020123800000000, -0.0005680000000000 ] - [ 0.0016242800000000, -0.0023542400000000, -0.0002180000000000 ] - [ 0.0035490400000000, -0.0023677500000000, -0.0005963200000000 ] - [ 0.0026580900000000, -0.0009537600000000, -0.0000848300000000 ] - [ 0.0024942400000000, -0.0008659800000000, -0.0007128800000000 ] - [ 0.0028696600000000, -0.0017119900000000, -0.0004031000000000 ] - [ 0.0027948600000000, -0.0016919100000000, -0.0005127500000000 ] - [ 0.0027445100000000, -0.0018575800000000, -0.0006229800000000 ] - [ 0.0029903900000000, -0.0019660600000000, -0.0002699800000000 ]- atom: 49 displacement: [ -0.0037589592321771, 0.0000000000000000, 0.0092666188812765 ] forces: - [ 0.0010891200000000, -0.0000948800000000, 0.0235861200000000 ] - [ 0.0077112400000000, -0.0031419900000000, 0.0088529200000000 ] - [ 0.0037882400000000, -0.0020810900000000, 0.0098140700000000 ] - [ 0.0040947000000000, -0.0019360000000000, 0.0096196800000000 ] - [ 0.0036130900000000, -0.0026290100000000, 0.0096038000000000 ] - [ 0.0039993200000000, -0.0020636100000000, 0.0096555300000000 ] - [ 0.0047572200000000, -0.0023066300000000, 0.0080058300000000 ] - [ 0.0024346500000000, -0.0019403800000000, 0.0057677500000000 ] - [ 0.0040934100000000, -0.0019849800000000, 0.0091417000000000 ] - [ 0.0039647200000000, -0.0021464800000000, 0.0093769400000000 ] - [ 0.0040524900000000, -0.0018285600000000, 0.0092966000000000 ] - [ 0.0040400900000000, -0.0019410400000000, 0.0096146300000000 ] - [ -0.0057279500000000, 0.0027234600000000, -0.0076027500000000 ] - [ -0.0072319900000000, 0.0009295800000000, -0.0115135700000000 ] - [ -0.0034248900000000, 0.0036092100000000, -0.0100076200000000 ] - [ -0.0041258300000000, 0.0021355500000000, -0.0095478100000000 ] - [ -0.0039508900000000, 0.0018737700000000, -0.0095761500000000 ] - [ -0.0041680000000000, 0.0018982000000000, -0.0095026200000000 ] - [ -0.0069922200000000, -0.0046472500000000, 0.0229239800000000 ] - [ -0.0033066100000000, 0.0022010600000000, -0.0096938100000000 ] - [ -0.0043468600000000, 0.0009935800000000, -0.0091962300000000 ] - [ -0.0038821900000000, 0.0017499700000000, -0.0095038800000000 ] - [ -0.0041497300000000, 0.0017559300000000, -0.0092553000000000 ] - [ -0.0038895600000000, 0.0021412600000000, -0.0095214000000000 ] - [ -0.0018217300000000, -0.0042548600000000, -0.0090470100000000 ] - [ -0.0040072000000000, -0.0023126100000000, -0.0087013600000000 ] - [ -0.0135935800000000, -0.0078341500000000, 0.0072538000000000 ] - [ -0.0031449000000000, -0.0023354400000000, -0.0081406400000000 ] - [ -0.0039131900000000, -0.0023130400000000, -0.0094170800000000 ] - [ -0.0040413400000000, -0.0020278300000000, -0.0093745200000000 ] - [ -0.0036071800000000, -0.0013254200000000, -0.0103755300000000 ] - [ -0.0040772600000000, -0.0018765700000000, -0.0098374200000000 ] - [ -0.0031955800000000, -0.0033373400000000, -0.0106213200000000 ] - [ -0.0047120000000000, -0.0021387000000000, -0.0102153200000000 ] - [ -0.0040299400000000, -0.0021926700000000, -0.0096559100000000 ] - [ -0.0040150000000000, -0.0020612600000000, -0.0095962100000000 ] - [ 0.0035722000000000, 0.0033317200000000, 0.0079747400000000 ] - [ 0.0045451700000000, 0.0022047700000000, 0.0085598000000000 ] - [ 0.0039934500000000, 0.0020684100000000, 0.0094028800000000 ] - [ 0.0040404300000000, 0.0020416600000000, 0.0093969000000000 ] - [ 0.0036292600000000, 0.0016801100000000, 0.0088062400000000 ] - [ 0.0039413000000000, 0.0017585400000000, 0.0087808100000000 ] - [ 0.0057986400000000, 0.0005286400000000, 0.0090136100000000 ] - [ 0.0021446500000000, 0.0012267300000000, 0.0097069300000000 ] - [ 0.0040551400000000, 0.0020010600000000, 0.0095658100000000 ] - [ 0.0040208200000000, 0.0018995500000000, 0.0095409000000000 ] - [ 0.0047139600000000, 0.0018914800000000, 0.0097924000000000 ] - [ 0.0035363700000000, 0.0030361800000000, 0.0105400600000000 ] - [ 0.0433785900000000, 0.0097655200000000, -0.1088094800000000 ] - [ -0.0009595100000000, -0.0022064200000000, 0.0009589600000000 ] - [ -0.0005083300000000, -0.0023139700000000, 0.0017802500000000 ] - [ -0.0001422200000000, -0.0022437400000000, 0.0014625200000000 ] - [ -0.0005430700000000, -0.0017598300000000, 0.0017607300000000 ] - [ -0.0002262000000000, -0.0022667100000000, 0.0014332600000000 ] - [ -0.0010722700000000, -0.0018767800000000, 0.0030519100000000 ] - [ 0.0003447300000000, -0.0025066000000000, 0.0028378400000000 ] - [ -0.0002679800000000, -0.0023003500000000, 0.0017407800000000 ] - [ -0.0001956300000000, -0.0023496500000000, 0.0016927500000000 ] - [ -0.0001980600000000, -0.0025204100000000, 0.0017721700000000 ] - [ -0.0001787800000000, -0.0024020600000000, 0.0017013600000000 ] - [ 0.0031305700000000, 0.0006257700000000, -0.0021448700000000 ] - [ -0.0000900400000000, -0.0017601400000000, -0.0016536100000000 ] - [ 0.0025946100000000, -0.0043169900000000, -0.0023486200000000 ] - [ -0.0002661800000000, -0.0025837500000000, -0.0017244000000000 ] - [ 0.0002126100000000, -0.0022036900000000, -0.0016233800000000 ] - [ 0.0002265000000000, -0.0023260100000000, -0.0016440600000000 ] - [ -0.0002871400000000, -0.0025144700000000, -0.0008859300000000 ] - [ 0.0005294100000000, -0.0028908000000000, -0.0013165500000000 ] - [ -0.0004206700000000, -0.0019519400000000, -0.0009444800000000 ] - [ 0.0004383400000000, -0.0019942800000000, -0.0013591100000000 ] - [ 0.0002070900000000, -0.0023414300000000, -0.0015821700000000 ] - [ 0.0001933800000000, -0.0022879600000000, -0.0015802000000000 ] - [ -0.0032657400000000, -0.0018499900000000, 0.0105313300000000 ] - [ 0.0000679900000000, 0.0020829200000000, 0.0018514500000000 ] - [ -0.0002382000000000, 0.0021133100000000, 0.0015695000000000 ] - [ -0.0002192200000000, 0.0023224700000000, 0.0016080300000000 ] - [ -0.0001495900000000, 0.0032875100000000, 0.0021120100000000 ] - [ -0.0002359300000000, 0.0024787000000000, 0.0016451500000000 ] - [ -0.0045391500000000, 0.0107422400000000, 0.0101861000000000 ] - [ 0.0000758000000000, 0.0021702000000000, 0.0018497700000000 ] - [ -0.0002017800000000, 0.0025090100000000, 0.0015859500000000 ] - [ -0.0002002700000000, 0.0023988400000000, 0.0016154600000000 ] - [ -0.0003375400000000, 0.0016586600000000, 0.0020292500000000 ] - [ -0.0001578300000000, 0.0021047100000000, 0.0016777400000000 ] - [ -0.0005359200000000, 0.0032573600000000, -0.0001256900000000 ] - [ 0.0005300400000000, 0.0021539100000000, -0.0002850100000000 ] - [ 0.0002279700000000, 0.0018411900000000, -0.0009925600000000 ] - [ 0.0001433100000000, 0.0022715900000000, -0.0013307500000000 ] - [ 0.0001127700000000, 0.0023413400000000, -0.0014773300000000 ] - [ 0.0002263000000000, 0.0023240300000000, -0.0015909600000000 ] - [ -0.0087086600000000, -0.0050113800000000, 0.0006402300000000 ] - [ -0.0003556500000000, 0.0018631800000000, -0.0040029100000000 ] - [ 0.0000071300000000, 0.0031286200000000, -0.0020188900000000 ] - [ 0.0003210900000000, 0.0026198000000000, -0.0017382700000000 ] - [ 0.0004689100000000, 0.0023929100000000, -0.0018618800000000 ] - [ 0.0001310000000000, 0.0023921600000000, -0.0015891400000000 ] - [ -0.0033938000000000, 0.0016408700000000, 0.0010396000000000 ] - [ -0.0026468100000000, 0.0017994200000000, 0.0006399200000000 ] - [ -0.0042683500000000, 0.0003326300000000, 0.0014320500000000 ] - [ -0.0025058800000000, 0.0014993300000000, 0.0006677300000000 ] - [ -0.0027264200000000, 0.0015589100000000, 0.0004785100000000 ] - [ -0.0027771000000000, 0.0015541600000000, 0.0005035700000000 ] - [ -0.0008547100000000, -0.0053399800000000, -0.0006691600000000 ] - [ -0.0031699400000000, 0.0013282000000000, 0.0000747400000000 ] - [ -0.0012106800000000, 0.0049350400000000, 0.0001692100000000 ] - [ -0.0033112100000000, 0.0018803400000000, 0.0001462500000000 ] - [ -0.0028919700000000, 0.0015809900000000, 0.0004052100000000 ] - [ -0.0028187300000000, 0.0014771300000000, 0.0003536000000000 ] - [ 0.0083761700000000, 0.0003116100000000, 0.0044970000000000 ] - [ 0.0018770500000000, 0.0012423600000000, 0.0004042900000000 ] - [ 0.0028584300000000, 0.0014468100000000, -0.0005283600000000 ] - [ 0.0027058700000000, 0.0014435700000000, -0.0005174100000000 ] - [ 0.0029959400000000, 0.0016391400000000, -0.0003041900000000 ] - [ 0.0027534100000000, 0.0015907200000000, -0.0003041500000000 ] - [ 0.0017437200000000, 0.0021918300000000, 0.0005761500000000 ] - [ 0.0103523300000000, 0.0021736600000000, 0.0055347600000000 ] - [ 0.0027920700000000, 0.0014730900000000, -0.0003607000000000 ] - [ 0.0027999200000000, 0.0015206000000000, -0.0003827900000000 ] - [ 0.0026979900000000, 0.0014573900000000, -0.0003173800000000 ] - [ 0.0028173400000000, 0.0012587700000000, -0.0006343200000000 ] - [ -0.0224838200000000, 0.0145935400000000, 0.0176198400000000 ] - [ -0.0015754600000000, -0.0011033900000000, -0.0010862300000000 ] - [ -0.0029888700000000, -0.0057823500000000, -0.0008568600000000 ] - [ -0.0027353300000000, -0.0015598800000000, 0.0003388700000000 ] - [ -0.0029395200000000, -0.0015549700000000, 0.0004919700000000 ] - [ -0.0027124900000000, -0.0014447900000000, 0.0004411200000000 ] - [ -0.0044555200000000, -0.0049722300000000, 0.0085760900000000 ] - [ -0.0027819100000000, -0.0016012600000000, 0.0006928700000000 ] - [ -0.0027065300000000, -0.0011109100000000, 0.0006783100000000 ] - [ -0.0027491700000000, -0.0015151600000000, 0.0006599700000000 ] - [ -0.0027577800000000, -0.0014111100000000, 0.0004720800000000 ] - [ -0.0028169300000000, -0.0014948600000000, 0.0005020100000000 ] - [ -0.0007623500000000, 0.0010133600000000, -0.0038032500000000 ] - [ -0.0015111600000000, -0.0042000800000000, -0.0024425400000000 ] - [ 0.0027602000000000, -0.0014550200000000, -0.0005563500000000 ] - [ 0.0027858300000000, -0.0015070700000000, -0.0004903400000000 ] - [ 0.0031677400000000, -0.0018520200000000, -0.0009953200000000 ] - [ 0.0025059700000000, -0.0014360300000000, -0.0009274400000000 ] - [ 0.0029117100000000, -0.0014703300000000, 0.0001663600000000 ] - [ 0.0030669500000000, -0.0009881300000000, 0.0006626400000000 ] - [ 0.0028091700000000, -0.0015317400000000, -0.0003200500000000 ] - [ 0.0027869300000000, -0.0014543500000000, -0.0003437000000000 ] - [ 0.0027873800000000, -0.0015047600000000, -0.0002514400000000 ] - [ 0.0028597100000000, -0.0016482900000000, -0.0002879000000000 ]- atom: 49 displacement: [ 0.0037589592321771, 0.0000000000000000, -0.0092666188812765 ] forces: - [ 0.0069804100000000, -0.0039789700000000, -0.0044466700000000 ] - [ 0.0003628900000000, -0.0009027600000000, 0.0100994300000000 ] - [ 0.0042552300000000, -0.0019613000000000, 0.0091776400000000 ] - [ 0.0039462000000000, -0.0021102100000000, 0.0093697100000000 ] - [ 0.0044301200000000, -0.0014124900000000, 0.0093873900000000 ] - [ 0.0040393500000000, -0.0019500900000000, 0.0093253100000000 ] - [ 0.0033083000000000, -0.0017206900000000, 0.0109784400000000 ] - [ 0.0055791800000000, -0.0020929600000000, 0.0132574900000000 ] - [ 0.0039482600000000, -0.0020505400000000, 0.0098358800000000 ] - [ 0.0040882800000000, -0.0019005000000000, 0.0096195300000000 ] - [ 0.0039974300000000, -0.0022088000000000, 0.0096823700000000 ] - [ 0.0040097500000000, -0.0020872300000000, 0.0093761600000000 ] - [ -0.0022202900000000, 0.0012726500000000, -0.0115066700000000 ] - [ -0.0008381300000000, 0.0031003400000000, -0.0074843400000000 ] - [ -0.0046232100000000, 0.0004054800000000, -0.0089846100000000 ] - [ -0.0039222500000000, 0.0018861500000000, -0.0094421600000000 ] - [ -0.0040927200000000, 0.0021683900000000, -0.0094180700000000 ] - [ -0.0038813000000000, 0.0021251300000000, -0.0094726800000000 ] - [ -0.0011443900000000, 0.0079026100000000, -0.0399903300000000 ] - [ -0.0047105100000000, 0.0018371800000000, -0.0092956100000000 ] - [ -0.0037077900000000, 0.0030170800000000, -0.0097904300000000 ] - [ -0.0041551200000000, 0.0022805800000000, -0.0094853700000000 ] - [ -0.0038955400000000, 0.0022836400000000, -0.0097385800000000 ] - [ -0.0041480900000000, 0.0018904900000000, -0.0094632600000000 ] - [ -0.0062321600000000, 0.0001913900000000, -0.0099337400000000 ] - [ -0.0040271400000000, -0.0017435600000000, -0.0102761000000000 ] - [ 0.0057206500000000, 0.0040649800000000, -0.0261885100000000 ] - [ -0.0048905400000000, -0.0017086500000000, -0.0108296100000000 ] - [ -0.0041368000000000, -0.0017249000000000, -0.0095860900000000 ] - [ -0.0039971400000000, -0.0020168700000000, -0.0096011800000000 ] - [ -0.0044427900000000, -0.0027076600000000, -0.0086042500000000 ] - [ -0.0039688700000000, -0.0021708600000000, -0.0091650500000000 ] - [ -0.0048630100000000, -0.0007347000000000, -0.0083524500000000 ] - [ -0.0033354800000000, -0.0019050500000000, -0.0087710200000000 ] - [ -0.0040157400000000, -0.0018530000000000, -0.0093272400000000 ] - [ -0.0040358200000000, -0.0019782000000000, -0.0093961800000000 ] - [ 0.0044742600000000, 0.0007383400000000, 0.0109987200000000 ] - [ 0.0034938700000000, 0.0018465500000000, 0.0104245100000000 ] - [ 0.0040449400000000, 0.0019694300000000, 0.0095869500000000 ] - [ 0.0040018000000000, 0.0019910700000000, 0.0095946100000000 ] - [ 0.0044211200000000, 0.0023529300000000, 0.0101954700000000 ] - [ 0.0040963700000000, 0.0022865100000000, 0.0101951900000000 ] - [ 0.0022633600000000, 0.0035207800000000, 0.0099836000000000 ] - [ 0.0058855000000000, 0.0028274900000000, 0.0092702400000000 ] - [ 0.0039860300000000, 0.0020465200000000, 0.0094119900000000 ] - [ 0.0040240800000000, 0.0021339400000000, 0.0094567800000000 ] - [ 0.0033575500000000, 0.0021528700000000, 0.0092075600000000 ] - [ 0.0044969700000000, 0.0010249800000000, 0.0084360700000000 ] - [ -0.0446230000000000, -0.0132364300000000, 0.1101755000000000 ] - [ 0.0005506900000000, -0.0024453600000000, 0.0022491300000000 ] - [ 0.0001019600000000, -0.0023315400000000, 0.0014338600000000 ] - [ -0.0002542500000000, -0.0024024700000000, 0.0017552300000000 ] - [ 0.0001430800000000, -0.0028776500000000, 0.0014491400000000 ] - [ -0.0001853400000000, -0.0023926700000000, 0.0017874600000000 ] - [ 0.0006530000000000, -0.0027898600000000, 0.0001644100000000 ] - [ -0.0007394100000000, -0.0021454100000000, 0.0003803900000000 ] - [ -0.0001317600000000, -0.0023441200000000, 0.0014765000000000 ] - [ -0.0002072800000000, -0.0022939000000000, 0.0015179700000000 ] - [ -0.0002059400000000, -0.0021277100000000, 0.0014457900000000 ] - [ -0.0002241200000000, -0.0022476400000000, 0.0015145100000000 ] - [ -0.0027074700000000, -0.0052726500000000, -0.0010623500000000 ] - [ 0.0004954900000000, -0.0028916200000000, -0.0015697100000000 ] - [ -0.0021902400000000, -0.0003271300000000, -0.0008435000000000 ] - [ 0.0006734900000000, -0.0020768500000000, -0.0014918400000000 ] - [ 0.0001935300000000, -0.0024467800000000, -0.0015854300000000 ] - [ 0.0001768200000000, -0.0023226400000000, -0.0015746300000000 ] - [ 0.0006943200000000, -0.0021457500000000, -0.0023170800000000 ] - [ -0.0001237300000000, -0.0017620000000000, -0.0019029900000000 ] - [ 0.0008175100000000, -0.0027008600000000, -0.0022727000000000 ] - [ -0.0000282800000000, -0.0026581600000000, -0.0018622200000000 ] - [ 0.0001943800000000, -0.0023095200000000, -0.0016337900000000 ] - [ 0.0002189700000000, -0.0023676800000000, -0.0016279400000000 ] - [ 0.0028842500000000, 0.0065661500000000, -0.0074716300000000 ] - [ -0.0004722400000000, 0.0025652200000000, 0.0013668500000000 ] - [ -0.0001640100000000, 0.0025434600000000, 0.0016518500000000 ] - [ -0.0001914000000000, 0.0023336500000000, 0.0016057500000000 ] - [ -0.0002542700000000, 0.0013664600000000, 0.0011260100000000 ] - [ -0.0001749900000000, 0.0021774700000000, 0.0015623800000000 ] - [ 0.0040435500000000, -0.0059068900000000, -0.0068276300000000 ] - [ -0.0004840500000000, 0.0024860600000000, 0.0013640100000000 ] - [ -0.0002086500000000, 0.0021475100000000, 0.0016292200000000 ] - [ -0.0002013700000000, 0.0022559000000000, 0.0016092900000000 ] - [ -0.0000684000000000, 0.0029914900000000, 0.0011972700000000 ] - [ -0.0002512800000000, 0.0025418500000000, 0.0015371100000000 ] - [ 0.0009433800000000, 0.0013892400000000, -0.0030956000000000 ] - [ -0.0001291100000000, 0.0024880100000000, -0.0029261700000000 ] - [ 0.0001713700000000, 0.0028121800000000, -0.0022161200000000 ] - [ 0.0002611100000000, 0.0023840700000000, -0.0018842800000000 ] - [ 0.0002991700000000, 0.0023141400000000, -0.0017367800000000 ] - [ 0.0001769500000000, 0.0023230900000000, -0.0016247900000000 ] - [ 0.0090056200000000, 0.0095461500000000, -0.0038496900000000 ] - [ 0.0007424800000000, 0.0027838900000000, 0.0007847600000000 ] - [ 0.0003905800000000, 0.0015303800000000, -0.0012011200000000 ] - [ 0.0000851700000000, 0.0020250000000000, -0.0014667500000000 ] - [ -0.0000618700000000, 0.0022574200000000, -0.0013566600000000 ] - [ 0.0002844700000000, 0.0022657100000000, -0.0016288900000000 ] - [ -0.0021438500000000, 0.0013561000000000, -0.0001806100000000 ] - [ -0.0029231000000000, 0.0012167600000000, 0.0002478900000000 ] - [ -0.0012492500000000, 0.0027102200000000, -0.0005741300000000 ] - [ -0.0030644000000000, 0.0015161900000000, 0.0002209300000000 ] - [ -0.0028411700000000, 0.0014470400000000, 0.0004081300000000 ] - [ -0.0027819500000000, 0.0014514800000000, 0.0003774800000000 ] - [ -0.0046626400000000, 0.0082771600000000, 0.0015159800000000 ] - [ -0.0024162300000000, 0.0016937700000000, 0.0008120600000000 ] - [ -0.0043431200000000, -0.0019129200000000, 0.0007240700000000 ] - [ -0.0022747500000000, 0.0011416300000000, 0.0007401500000000 ] - [ -0.0026698000000000, 0.0014296400000000, 0.0004820500000000 ] - [ -0.0027553900000000, 0.0015515900000000, 0.0005452200000000 ] - [ -0.0028342900000000, 0.0026873600000000, -0.0054222100000000 ] - [ 0.0036948000000000, 0.0017593800000000, -0.0012854500000000 ] - [ 0.0027267400000000, 0.0015836600000000, -0.0003675200000000 ] - [ 0.0028775100000000, 0.0015881100000000, -0.0003751100000000 ] - [ 0.0025767000000000, 0.0013856400000000, -0.0005954000000000 ] - [ 0.0028198300000000, 0.0014319300000000, -0.0005725200000000 ] - [ 0.0038064900000000, 0.0008105300000000, -0.0014390900000000 ] - [ -0.0047124300000000, 0.0008263800000000, -0.0064595600000000 ] - [ 0.0027889000000000, 0.0015379800000000, -0.0005262400000000 ] - [ 0.0027733700000000, 0.0015120400000000, -0.0005106500000000 ] - [ 0.0028551000000000, 0.0015430000000000, -0.0005660800000000 ] - [ 0.0027536900000000, 0.0017708400000000, -0.0002638300000000 ] - [ 0.0174960400000000, -0.0182302500000000, -0.0169793800000000 ] - [ -0.0039437900000000, -0.0018780200000000, 0.0019720200000000 ] - [ -0.0025983100000000, 0.0027489800000000, 0.0017578800000000 ] - [ -0.0028390300000000, -0.0014462700000000, 0.0005568500000000 ] - [ -0.0026204900000000, -0.0014622100000000, 0.0003974700000000 ] - [ -0.0028564000000000, -0.0015649300000000, 0.0004415400000000 ] - [ -0.0011093700000000, 0.0019020900000000, -0.0075762700000000 ] - [ -0.0027932400000000, -0.0014213800000000, 0.0001937400000000 ] - [ -0.0028654200000000, -0.0018905000000000, 0.0002115600000000 ] - [ -0.0028209400000000, -0.0014949900000000, 0.0002364300000000 ] - [ -0.0028181100000000, -0.0016074400000000, 0.0004103400000000 ] - [ -0.0027473700000000, -0.0015265400000000, 0.0003764100000000 ] - [ 0.0063544200000000, -0.0040487300000000, 0.0028827400000000 ] - [ 0.0071187900000000, 0.0012005900000000, 0.0015798700000000 ] - [ 0.0028157500000000, -0.0015534000000000, -0.0003295000000000 ] - [ 0.0027735800000000, -0.0014969400000000, -0.0003857800000000 ] - [ 0.0024009300000000, -0.0011607400000000, 0.0001060000000000 ] - [ 0.0030353300000000, -0.0015789600000000, 0.0000556400000000 ] - [ 0.0026610200000000, -0.0015527900000000, -0.0010650100000000 ] - [ 0.0025206700000000, -0.0020442500000000, -0.0015435600000000 ] - [ 0.0027560300000000, -0.0014733200000000, -0.0005623300000000 ] - [ 0.0027775200000000, -0.0015490900000000, -0.0005359100000000 ] - [ 0.0027784800000000, -0.0015059500000000, -0.0006299400000000 ] - [ 0.0026772300000000, -0.0013491600000000, -0.0005813000000000 ]- atom: 97 displacement: [ 0.0099999821585070, 0.0000000000000000, -0.0000188899322986 ] forces: - [ 0.0030645100000000, -0.0021119200000000, 0.0096074900000000 ] - [ 0.0060406100000000, -0.0024263600000000, 0.0097204800000000 ] - [ 0.0039871500000000, -0.0019627100000000, 0.0094940600000000 ] - [ 0.0040567900000000, -0.0019448100000000, 0.0095020400000000 ] - [ 0.0035134000000000, -0.0023914700000000, 0.0094905100000000 ] - [ 0.0047308800000000, -0.0011364400000000, 0.0093025500000000 ] - [ 0.0020594500000000, -0.0015891900000000, 0.0075038000000000 ] - [ 0.0028847900000000, -0.0041196600000000, 0.0112958800000000 ] - [ 0.0040088800000000, -0.0017959900000000, 0.0094297600000000 ] - [ 0.0040670700000000, -0.0019734900000000, 0.0095340200000000 ] - [ 0.0038049300000000, -0.0023577200000000, 0.0094078700000000 ] - [ 0.0036880500000000, -0.0009689200000000, 0.0103950600000000 ] - [ 0.0203571900000000, -0.0037544600000000, -0.0125523900000000 ] - [ -0.0051804800000000, 0.0010689600000000, -0.0093603100000000 ] - [ -0.0041081400000000, 0.0017186200000000, -0.0093243700000000 ] - [ -0.0042111000000000, 0.0020122900000000, -0.0095062200000000 ] - [ -0.0035642900000000, 0.0024259400000000, -0.0070722500000000 ] - [ -0.0053777400000000, 0.0026392700000000, -0.0094956600000000 ] - [ -0.0032977300000000, 0.0019507800000000, -0.0086046200000000 ] - [ -0.0043176700000000, 0.0019785500000000, -0.0100990800000000 ] - [ -0.0039594300000000, 0.0021927100000000, -0.0095155800000000 ] - [ -0.0040771300000000, 0.0020755200000000, -0.0095498000000000 ] - [ -0.0035268700000000, 0.0017956200000000, -0.0086248200000000 ] - [ -0.0041914700000000, 0.0020488600000000, -0.0097989300000000 ] - [ -0.0042586800000000, -0.0038596800000000, -0.0069284700000000 ] - [ -0.0047832200000000, -0.0022419800000000, -0.0112613100000000 ] - [ -0.0037351000000000, -0.0015417900000000, -0.0090273600000000 ] - [ -0.0041260100000000, -0.0020616600000000, -0.0097137800000000 ] - [ -0.0036948000000000, -0.0019923100000000, -0.0094527900000000 ] - [ -0.0040648100000000, -0.0018392600000000, -0.0095263800000000 ] - [ 0.0211610300000000, -0.0090865800000000, -0.0226314300000000 ] - [ -0.0056251800000000, -0.0026069200000000, -0.0091337300000000 ] - [ -0.0035693300000000, -0.0019307000000000, -0.0095867700000000 ] - [ -0.0045698200000000, -0.0017552500000000, -0.0096744700000000 ] - [ -0.0037633900000000, -0.0025450500000000, -0.0095875200000000 ] - [ -0.0041002400000000, -0.0018748700000000, -0.0094945900000000 ] - [ 0.0032003300000000, 0.0031790700000000, 0.0093927100000000 ] - [ 0.0049845200000000, 0.0009226200000000, 0.0095565800000000 ] - [ 0.0039474200000000, 0.0017897300000000, 0.0095313900000000 ] - [ 0.0042185700000000, 0.0019990000000000, 0.0093822500000000 ] - [ 0.0066575400000000, 0.0031497500000000, 0.0088046000000000 ] - [ 0.0647507500000000, -0.0131818800000000, 0.0030664000000000 ] - [ 0.0039825200000000, 0.0021150100000000, 0.0092690400000000 ] - [ 0.0041390700000000, 0.0019201200000000, 0.0095693400000000 ] - [ 0.0039868900000000, 0.0020316300000000, 0.0094081500000000 ] - [ 0.0039887900000000, 0.0022209000000000, 0.0095748900000000 ] - [ 0.0037893000000000, 0.0020454400000000, 0.0089250100000000 ] - [ 0.0046467000000000, 0.0025022200000000, 0.0101907500000000 ] - [ 0.0000475400000000, -0.0026551600000000, 0.0010484500000000 ] - [ -0.0002729600000000, -0.0021346700000000, 0.0017316000000000 ] - [ -0.0002591100000000, -0.0023775400000000, 0.0016449900000000 ] - [ -0.0001873400000000, -0.0023709500000000, 0.0016242100000000 ] - [ 0.0001685700000000, -0.0016605900000000, 0.0001228300000000 ] - [ 0.0000045000000000, -0.0027885000000000, 0.0020010900000000 ] - [ -0.0021192400000000, -0.0050217000000000, 0.0029149800000000 ] - [ 0.0004962500000000, -0.0020862500000000, 0.0014833200000000 ] - [ -0.0001936300000000, -0.0023151200000000, 0.0014949000000000 ] - [ -0.0001637000000000, -0.0023977800000000, 0.0015877900000000 ] - [ -0.0019335900000000, 0.0010802100000000, 0.0026000300000000 ] - [ 0.0006233200000000, -0.0024011000000000, 0.0013718900000000 ] - [ 0.0015865500000000, -0.0023430300000000, -0.0021767200000000 ] - [ 0.0032259200000000, -0.0010973000000000, 0.0077906300000000 ] - [ 0.0001814400000000, -0.0024018200000000, -0.0017042700000000 ] - [ 0.0002384700000000, -0.0023117100000000, -0.0015589300000000 ] - [ 0.0002127600000000, -0.0022350600000000, -0.0016014500000000 ] - [ 0.0001319800000000, -0.0025981900000000, -0.0016167600000000 ] - [ 0.0015958700000000, -0.0023084800000000, 0.0050023600000000 ] - [ 0.0014232500000000, -0.0021160700000000, -0.0020865700000000 ] - [ -0.0000020300000000, -0.0025042300000000, -0.0014715000000000 ] - [ 0.0003465700000000, -0.0022967900000000, -0.0015886000000000 ] - [ 0.0002182800000000, -0.0021861200000000, -0.0015290200000000 ] - [ 0.0003196600000000, -0.0026762300000000, -0.0016493000000000 ] - [ -0.0009263700000000, -0.0015646700000000, 0.0010954100000000 ] - [ -0.0000148600000000, 0.0026887600000000, 0.0017417200000000 ] - [ -0.0000845300000000, 0.0023204600000000, 0.0014862600000000 ] - [ -0.0001986300000000, 0.0022678900000000, 0.0016915700000000 ] - [ 0.0239961200000000, 0.0202483400000000, -0.0098840500000000 ] - [ 0.0069859800000000, 0.0000188700000000, 0.0058067800000000 ] - [ -0.0002875300000000, 0.0022108000000000, 0.0016500700000000 ] - [ -0.0000373700000000, 0.0022987100000000, 0.0017169000000000 ] - [ -0.0002299200000000, 0.0023015100000000, 0.0016359600000000 ] - [ -0.0001372000000000, 0.0022517100000000, 0.0015970600000000 ] - [ -0.0015099500000000, 0.0012925400000000, -0.0007315600000000 ] - [ 0.0002074700000000, 0.0024238400000000, 0.0017792900000000 ] - [ 0.0139509700000000, -0.0035580500000000, 0.0001367500000000 ] - [ 0.0082702700000000, 0.0085775300000000, -0.0030513000000000 ] - [ 0.0001137300000000, 0.0020667000000000, -0.0016694200000000 ] - [ 0.0001405500000000, 0.0024498300000000, -0.0016308700000000 ] - [ 0.0004235700000000, 0.0034799500000000, -0.0011032900000000 ] - [ 0.0005672900000000, 0.0015597200000000, -0.0017538600000000 ] - [ 0.0002304400000000, 0.0024537700000000, -0.0014662600000000 ] - [ 0.0002866400000000, 0.0026185700000000, -0.0012819400000000 ] - [ 0.0002088600000000, 0.0022421800000000, -0.0015868900000000 ] - [ 0.0002277200000000, 0.0023141000000000, -0.0015914400000000 ] - [ 0.0002024000000000, 0.0023683700000000, -0.0016059800000000 ] - [ 0.0002693000000000, 0.0021164600000000, -0.0014915500000000 ] - [ -0.1682805600000000, 0.0278898200000000, 0.0301324700000000 ] - [ -0.0023907500000000, 0.0015964000000000, 0.0001876100000000 ] - [ -0.0024197100000000, 0.0011180200000000, 0.0001029400000000 ] - [ -0.0025788000000000, 0.0012906900000000, 0.0003829900000000 ] - [ -0.0024169500000000, 0.0015915500000000, 0.0000079500000000 ] - [ -0.0025729300000000, 0.0014322400000000, 0.0004070800000000 ] - [ -0.0031061300000000, 0.0018227400000000, -0.0000291300000000 ] - [ -0.0027581600000000, 0.0017049000000000, 0.0011257800000000 ] - [ -0.0029699200000000, 0.0014691100000000, 0.0004380700000000 ] - [ -0.0026821800000000, 0.0014586200000000, 0.0004875900000000 ] - [ -0.0029727500000000, 0.0015502000000000, 0.0001997100000000 ] - [ -0.0026799500000000, 0.0014442900000000, 0.0005443300000000 ] - [ 0.0039103100000000, 0.0008275700000000, -0.0008884700000000 ] - [ 0.0012629500000000, 0.0048809800000000, 0.0011228100000000 ] - [ 0.0028012900000000, 0.0015630400000000, -0.0003869000000000 ] - [ 0.0028415300000000, 0.0014785500000000, -0.0004640000000000 ] - [ 0.0039353300000000, 0.0012396300000000, -0.0004094000000000 ] - [ 0.0012627700000000, -0.0064893100000000, 0.0007597000000000 ] - [ 0.0029059600000000, 0.0014406700000000, -0.0000068700000000 ] - [ 0.0024789500000000, 0.0015503600000000, -0.0008613900000000 ] - [ 0.0028326800000000, 0.0014993400000000, -0.0003952300000000 ] - [ 0.0027256700000000, 0.0014261300000000, -0.0004430900000000 ] - [ 0.0029040300000000, 0.0014991400000000, -0.0001770400000000 ] - [ 0.0024921400000000, 0.0015162000000000, -0.0009923300000000 ] - [ -0.0044216400000000, -0.0044364000000000, -0.0051546100000000 ] - [ -0.0019804000000000, -0.0010522800000000, 0.0008951000000000 ] - [ -0.0028747500000000, -0.0015528900000000, 0.0004948900000000 ] - [ -0.0027002500000000, -0.0014982400000000, 0.0004914900000000 ] - [ -0.0033126800000000, -0.0016162900000000, 0.0002989500000000 ] - [ -0.0026764600000000, -0.0016396300000000, 0.0004682200000000 ] - [ -0.0044306500000000, 0.0007043400000000, -0.0046659700000000 ] - [ -0.0019881200000000, -0.0014451400000000, 0.0006199900000000 ] - [ -0.0028705500000000, -0.0015362600000000, 0.0004528400000000 ] - [ -0.0026997300000000, -0.0015828600000000, 0.0004805000000000 ] - [ -0.0033150300000000, -0.0018727500000000, 0.0003998400000000 ] - [ -0.0026651400000000, -0.0014161200000000, 0.0004764700000000 ] - [ 0.0030183800000000, -0.0015503400000000, -0.0003590700000000 ] - [ 0.0023856600000000, -0.0015061600000000, -0.0006114100000000 ] - [ 0.0028235500000000, -0.0015424900000000, -0.0004135000000000 ] - [ 0.0028081800000000, -0.0015311800000000, -0.0004990400000000 ] - [ 0.0035566000000000, -0.0016419000000000, -0.0001459000000000 ] - [ 0.0006650100000000, -0.0017108700000000, -0.0022024200000000 ] - [ 0.0033824200000000, -0.0016837500000000, -0.0002158000000000 ] - [ 0.0024245600000000, -0.0008499100000000, -0.0006643000000000 ] - [ 0.0028340900000000, -0.0015807000000000, -0.0004786500000000 ] - [ 0.0026259800000000, -0.0014843500000000, -0.0004763100000000 ] - [ 0.0026001500000000, -0.0006056700000000, -0.0014877700000000 ] - [ 0.0063272100000000, -0.0061443200000000, -0.0073060600000000 ]- atom: 97 displacement: [ -0.0099999821585070, 0.0000000000000000, 0.0000188899322986 ] forces: - [ 0.0049759900000000, -0.0019240100000000, 0.0093729000000000 ] - [ 0.0019986600000000, -0.0016409600000000, 0.0092367300000000 ] - [ 0.0040556100000000, -0.0020646600000000, 0.0094879500000000 ] - [ 0.0039839100000000, -0.0020843000000000, 0.0094797800000000 ] - [ 0.0045307100000000, -0.0016453700000000, 0.0094914600000000 ] - [ 0.0033085000000000, -0.0028835800000000, 0.0096759900000000 ] - [ 0.0059686500000000, -0.0024285700000000, 0.0114709300000000 ] - [ 0.0051497900000000, 0.0000718200000000, 0.0077105600000000 ] - [ 0.0040279300000000, -0.0022341400000000, 0.0095547400000000 ] - [ 0.0039752500000000, -0.0020595600000000, 0.0094491300000000 ] - [ 0.0042323300000000, -0.0016901400000000, 0.0095656600000000 ] - [ 0.0043512300000000, -0.0030511400000000, 0.0085948600000000 ] - [ -0.0284054300000000, 0.0081372100000000, -0.0062020800000000 ] - [ -0.0028591800000000, 0.0029406300000000, -0.0096239200000000 ] - [ -0.0039292400000000, 0.0023150600000000, -0.0096537900000000 ] - [ -0.0038280000000000, 0.0020156200000000, -0.0094822800000000 ] - [ -0.0044767600000000, 0.0015912500000000, -0.0119180400000000 ] - [ -0.0026755900000000, 0.0013980500000000, -0.0094869900000000 ] - [ -0.0047369300000000, 0.0020786300000000, -0.0103772700000000 ] - [ -0.0037285000000000, 0.0020559000000000, -0.0088891300000000 ] - [ -0.0040770700000000, 0.0018424300000000, -0.0094656700000000 ] - [ -0.0039659900000000, 0.0019610600000000, -0.0094376200000000 ] - [ -0.0045082900000000, 0.0022407500000000, -0.0103487900000000 ] - [ -0.0038540900000000, 0.0019820700000000, -0.0091881800000000 ] - [ -0.0038173900000000, -0.0001902400000000, -0.0119806900000000 ] - [ -0.0032731500000000, -0.0018041800000000, -0.0077545900000000 ] - [ -0.0043041600000000, -0.0025048200000000, -0.0099539400000000 ] - [ -0.0039161700000000, -0.0019772500000000, -0.0092748200000000 ] - [ -0.0043421800000000, -0.0020512700000000, -0.0095279100000000 ] - [ -0.0039815700000000, -0.0022011500000000, -0.0094602800000000 ] - [ -0.0291965700000000, 0.0048833200000000, 0.0035304700000000 ] - [ -0.0024477900000000, -0.0014335000000000, -0.0098591500000000 ] - [ -0.0044723100000000, -0.0021120700000000, -0.0093995400000000 ] - [ -0.0034756000000000, -0.0022897200000000, -0.0093063800000000 ] - [ -0.0042722200000000, -0.0014928600000000, -0.0093884400000000 ] - [ -0.0039427700000000, -0.0021669200000000, -0.0094862600000000 ] - [ 0.0048341000000000, 0.0008690000000000, 0.0095904000000000 ] - [ 0.0030644100000000, 0.0031026700000000, 0.0094214900000000 ] - [ 0.0040963100000000, 0.0022538000000000, 0.0094557600000000 ] - [ 0.0038253700000000, 0.0020462700000000, 0.0096106000000000 ] - [ 0.0011988700000000, 0.0008318100000000, 0.0101957200000000 ] - [ -0.0531544000000000, 0.0157622500000000, 0.0160469900000000 ] - [ 0.0040608600000000, 0.0019300000000000, 0.0097187900000000 ] - [ 0.0039080700000000, 0.0021169900000000, 0.0094164700000000 ] - [ 0.0040508500000000, 0.0020173500000000, 0.0095679900000000 ] - [ 0.0040539100000000, 0.0018266300000000, 0.0094111500000000 ] - [ 0.0042468300000000, 0.0019961300000000, 0.0100478100000000 ] - [ 0.0034017000000000, 0.0015453600000000, 0.0087900200000000 ] - [ -0.0004538600000000, -0.0020003300000000, 0.0021679400000000 ] - [ -0.0001319500000000, -0.0025113600000000, 0.0014837200000000 ] - [ -0.0001490000000000, -0.0022760300000000, 0.0015696300000000 ] - [ -0.0002230500000000, -0.0022850400000000, 0.0015919400000000 ] - [ -0.0005810400000000, -0.0029842100000000, 0.0030802600000000 ] - [ -0.0004091200000000, -0.0018730600000000, 0.0012284000000000 ] - [ 0.0017221400000000, 0.0003414400000000, 0.0003234100000000 ] - [ -0.0008991200000000, -0.0025584000000000, 0.0017252800000000 ] - [ -0.0002112500000000, -0.0023354900000000, 0.0017203500000000 ] - [ -0.0002423900000000, -0.0022518900000000, 0.0016235200000000 ] - [ 0.0015123500000000, -0.0056873800000000, 0.0006150600000000 ] - [ -0.0010157900000000, -0.0022445800000000, 0.0018437600000000 ] - [ -0.0011587100000000, -0.0023115200000000, -0.0010563800000000 ] - [ -0.0028344900000000, -0.0035679300000000, -0.0108990600000000 ] - [ 0.0002255500000000, -0.0022518000000000, -0.0015141000000000 ] - [ 0.0001741000000000, -0.0023374800000000, -0.0016515600000000 ] - [ 0.0001911100000000, -0.0024157500000000, -0.0016160400000000 ] - [ 0.0002783200000000, -0.0020621300000000, -0.0015971200000000 ] - [ -0.0011886300000000, -0.0023283200000000, -0.0082029900000000 ] - [ -0.0010096700000000, -0.0025330200000000, -0.0011250700000000 ] - [ 0.0004120700000000, -0.0021533700000000, -0.0017448500000000 ] - [ 0.0000621300000000, -0.0023541000000000, -0.0016281200000000 ] - [ 0.0001874000000000, -0.0024608800000000, -0.0016852500000000 ] - [ 0.0000936700000000, -0.0019862100000000, -0.0015670200000000 ] - [ 0.0005174200000000, 0.0061684500000000, 0.0020981900000000 ] - [ -0.0003896300000000, 0.0019748100000000, 0.0014808100000000 ] - [ -0.0003252800000000, 0.0023303300000000, 0.0017260500000000 ] - [ -0.0002104900000000, 0.0023846200000000, 0.0015276600000000 ] - [ -0.0248287900000000, -0.0161412400000000, 0.0135307800000000 ] - [ -0.0072503800000000, 0.0045963300000000, -0.0025255000000000 ] - [ -0.0001230000000000, 0.0024404000000000, 0.0015621000000000 ] - [ -0.0003692900000000, 0.0023555500000000, 0.0014980800000000 ] - [ -0.0001789100000000, 0.0023487400000000, 0.0015795400000000 ] - [ -0.0002701700000000, 0.0023950900000000, 0.0016199300000000 ] - [ 0.0010952400000000, 0.0033732000000000, 0.0039609900000000 ] - [ -0.0006144800000000, 0.0022247500000000, 0.0014389800000000 ] - [ -0.0137054200000000, 0.0082845400000000, -0.0034172000000000 ] - [ -0.0076854900000000, -0.0037844100000000, -0.0002147500000000 ] - [ 0.0002935200000000, 0.0025815100000000, -0.0015404200000000 ] - [ 0.0002666000000000, 0.0022031000000000, -0.0015855600000000 ] - [ -0.0000119500000000, 0.0011790400000000, -0.0021123300000000 ] - [ -0.0001589700000000, 0.0030822000000000, -0.0014617300000000 ] - [ 0.0001825700000000, 0.0021977700000000, -0.0017445600000000 ] - [ 0.0001200900000000, 0.0020345200000000, -0.0019302400000000 ] - [ 0.0001975200000000, 0.0024032100000000, -0.0016288200000000 ] - [ 0.0001828800000000, 0.0023383700000000, -0.0016255100000000 ] - [ 0.0002049100000000, 0.0022821400000000, -0.0016099800000000 ] - [ 0.0001428400000000, 0.0025324400000000, -0.0017164800000000 ] - [ 0.1597617800000000, -0.0229204600000000, -0.0299583700000000 ] - [ -0.0031654600000000, 0.0014086800000000, 0.0006796400000000 ] - [ -0.0031509700000000, 0.0019020500000000, 0.0007724600000000 ] - [ -0.0029965000000000, 0.0017254400000000, 0.0004922300000000 ] - [ -0.0031533500000000, 0.0014216300000000, 0.0008639200000000 ] - [ -0.0029941800000000, 0.0015753500000000, 0.0004579200000000 ] - [ -0.0024749100000000, 0.0012048000000000, 0.0008947200000000 ] - [ -0.0028030900000000, 0.0013118100000000, -0.0002365900000000 ] - [ -0.0026035300000000, 0.0015466600000000, 0.0004380800000000 ] - [ -0.0028896500000000, 0.0015648100000000, 0.0003846600000000 ] - [ -0.0026007500000000, 0.0014649500000000, 0.0006772300000000 ] - [ -0.0028865300000000, 0.0015683900000000, 0.0003337100000000 ] - [ 0.0016340600000000, 0.0022208300000000, 0.0000465900000000 ] - [ 0.0042851300000000, -0.0018865800000000, -0.0020184000000000 ] - [ 0.0027732100000000, 0.0014462200000000, -0.0004930700000000 ] - [ 0.0027286000000000, 0.0015336400000000, -0.0004067700000000 ] - [ 0.0016406900000000, 0.0017917000000000, -0.0004653000000000 ] - [ 0.0042900200000000, 0.0093839500000000, -0.0016060700000000 ] - [ 0.0026677300000000, 0.0015732900000000, -0.0008650100000000 ] - [ 0.0030820800000000, 0.0014681800000000, -0.0000211700000000 ] - [ 0.0027296400000000, 0.0015107000000000, -0.0004855100000000 ] - [ 0.0028411100000000, 0.0015850300000000, -0.0004292800000000 ] - [ 0.0026660300000000, 0.0015176000000000, -0.0006917700000000 ] - [ 0.0030845500000000, 0.0014936900000000, 0.0001101900000000 ] - [ -0.0011549500000000, 0.0014510900000000, 0.0060518300000000 ] - [ -0.0035727500000000, -0.0019457300000000, -0.0000011000000000 ] - [ -0.0026948400000000, -0.0014586000000000, 0.0003841700000000 ] - [ -0.0028795700000000, -0.0015320000000000, 0.0003951000000000 ] - [ -0.0022659900000000, -0.0013978700000000, 0.0005822400000000 ] - [ -0.0028921400000000, -0.0013782800000000, 0.0004116900000000 ] - [ -0.0011796400000000, -0.0037606900000000, 0.0055464800000000 ] - [ -0.0035789200000000, -0.0015704200000000, 0.0002602400000000 ] - [ -0.0026945900000000, -0.0014723100000000, 0.0004200300000000 ] - [ -0.0028729800000000, -0.0014289500000000, 0.0003850800000000 ] - [ -0.0022717700000000, -0.0011606200000000, 0.0004837500000000 ] - [ -0.0028970800000000, -0.0015993600000000, 0.0003971300000000 ] - [ 0.0025505200000000, -0.0014664600000000, -0.0005191900000000 ] - [ 0.0031893000000000, -0.0014981800000000, -0.0002583900000000 ] - [ 0.0027473800000000, -0.0014704600000000, -0.0004582500000000 ] - [ 0.0027696500000000, -0.0014938400000000, -0.0003811600000000 ] - [ 0.0020152000000000, -0.0013757900000000, -0.0007256400000000 ] - [ 0.0048859100000000, -0.0013039100000000, 0.0013068000000000 ] - [ 0.0021934300000000, -0.0013382300000000, -0.0006726400000000 ] - [ 0.0031466800000000, -0.0021557200000000, -0.0002154500000000 ] - [ 0.0027283600000000, -0.0014322100000000, -0.0004013500000000 ] - [ 0.0029393500000000, -0.0015363900000000, -0.0004057700000000 ] - [ 0.0029794000000000, -0.0024158900000000, 0.0006239000000000 ] - [ -0.0007462400000000, 0.0030901600000000, 0.0062921600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0044419500000000, -0.0017140800000000, 0.0090935800000000 ] - [ 0.0030625800000000, 0.0004756600000000, 0.0088755100000000 ] - [ 0.0040335700000000, -0.0023788600000000, 0.0095061400000000 ] - [ 0.0039705300000000, -0.0026269300000000, 0.0093736900000000 ] - [ 0.0041263000000000, -0.0020513300000000, 0.0094944300000000 ] - [ 0.0041051000000000, -0.0033018600000000, 0.0104706800000000 ] - [ 0.0059031600000000, -0.0018002200000000, 0.0117149100000000 ] - [ 0.0035973300000000, -0.0009562400000000, 0.0100853900000000 ] - [ 0.0041258300000000, -0.0025905300000000, 0.0096601700000000 ] - [ 0.0037566200000000, -0.0028899900000000, 0.0096694400000000 ] - [ 0.0036018200000000, -0.0030543600000000, 0.0091010400000000 ] - [ 0.0048643200000000, -0.0036160100000000, 0.0087084800000000 ] - [ -0.0071494200000000, 0.0483644700000000, -0.0031723400000000 ] - [ -0.0049599400000000, 0.0030245500000000, -0.0095595100000000 ] - [ -0.0043217100000000, 0.0009670200000000, -0.0093741100000000 ] - [ -0.0040467400000000, 0.0014978600000000, -0.0094991900000000 ] - [ -0.0038834000000000, 0.0061055400000000, -0.0093493800000000 ] - [ -0.0030490500000000, 0.0014669000000000, -0.0091427700000000 ] - [ -0.0048366700000000, 0.0032621000000000, -0.0088677300000000 ] - [ -0.0040693900000000, 0.0026298800000000, -0.0094695900000000 ] - [ -0.0040254500000000, 0.0014142300000000, -0.0093329600000000 ] - [ -0.0040129300000000, 0.0016617200000000, -0.0094688800000000 ] - [ -0.0038010500000000, 0.0016161500000000, -0.0103369400000000 ] - [ -0.0040048500000000, 0.0018921000000000, -0.0095995000000000 ] - [ -0.0048612100000000, -0.0016243100000000, -0.0094475700000000 ] - [ -0.0034362500000000, -0.0011846000000000, -0.0092081200000000 ] - [ -0.0037150600000000, -0.0026073600000000, -0.0101148400000000 ] - [ -0.0044509600000000, -0.0021229300000000, -0.0096137000000000 ] - [ -0.0040388000000000, -0.0026359600000000, -0.0097029100000000 ] - [ -0.0040426100000000, -0.0025010800000000, -0.0095314000000000 ] - [ -0.0102653700000000, 0.0234093200000000, 0.0016667100000000 ] - [ -0.0045045800000000, -0.0008396200000000, -0.0096372400000000 ] - [ -0.0043600500000000, -0.0031751900000000, -0.0082251200000000 ] - [ -0.0039129100000000, -0.0021338100000000, -0.0092629800000000 ] - [ -0.0039566000000000, -0.0026978000000000, -0.0094510200000000 ] - [ -0.0039703000000000, -0.0026140000000000, -0.0095054500000000 ] - [ 0.0043868200000000, 0.0018986600000000, 0.0096930100000000 ] - [ 0.0026888100000000, 0.0008722600000000, 0.0096996900000000 ] - [ 0.0041678600000000, 0.0014186200000000, 0.0094684500000000 ] - [ 0.0038054600000000, 0.0014578100000000, 0.0095665800000000 ] - [ 0.0033062700000000, 0.0013719700000000, 0.0110163400000000 ] - [ -0.0100498100000000, 0.0289993000000000, 0.0115966100000000 ] - [ 0.0040672400000000, 0.0019853200000000, 0.0096349600000000 ] - [ 0.0037360000000000, 0.0019436200000000, 0.0091310300000000 ] - [ 0.0040371600000000, 0.0015310000000000, 0.0094807700000000 ] - [ 0.0041433500000000, 0.0012887100000000, 0.0094349400000000 ] - [ 0.0040636700000000, 0.0027297100000000, 0.0089577400000000 ] - [ 0.0038441100000000, 0.0028649500000000, 0.0091484800000000 ] - [ -0.0005112800000000, -0.0022633800000000, 0.0016188200000000 ] - [ 0.0002086100000000, -0.0023847200000000, 0.0020898100000000 ] - [ -0.0002558700000000, -0.0020030600000000, 0.0016492500000000 ] - [ -0.0002075300000000, -0.0020238600000000, 0.0016565900000000 ] - [ -0.0000933000000000, -0.0022207800000000, 0.0003652300000000 ] - [ -0.0004396500000000, -0.0022797400000000, 0.0015009000000000 ] - [ -0.0015441300000000, 0.0053081700000000, -0.0063775800000000 ] - [ -0.0002078200000000, -0.0025465500000000, 0.0014064200000000 ] - [ -0.0002959200000000, -0.0018893400000000, 0.0016444600000000 ] - [ -0.0001365000000000, -0.0019719400000000, 0.0015953300000000 ] - [ -0.0000443700000000, 0.0057804900000000, 0.0053222800000000 ] - [ -0.0006981700000000, -0.0023681400000000, 0.0018068100000000 ] - [ 0.0010100600000000, -0.0036028000000000, -0.0020179000000000 ] - [ -0.0016194700000000, -0.0061237100000000, -0.0030996800000000 ] - [ 0.0001226100000000, -0.0022119400000000, -0.0015966200000000 ] - [ 0.0003020800000000, -0.0018615100000000, -0.0012979200000000 ] - [ 0.0001988100000000, -0.0020630600000000, -0.0015688600000000 ] - [ 0.0001477100000000, -0.0018559200000000, -0.0016456800000000 ] - [ 0.0004362400000000, -0.0048950300000000, -0.0001974100000000 ] - [ -0.0002558500000000, -0.0034970800000000, -0.0015146300000000 ] - [ -0.0001107200000000, -0.0020345100000000, -0.0018755800000000 ] - [ 0.0003155900000000, -0.0021497600000000, -0.0016472300000000 ] - [ 0.0002246200000000, -0.0018187500000000, -0.0015262000000000 ] - [ 0.0000639700000000, -0.0017227400000000, -0.0015836000000000 ] - [ -0.0062566800000000, 0.0118854100000000, 0.0037822800000000 ] - [ 0.0000135000000000, 0.0021826800000000, 0.0017507400000000 ] - [ -0.0002185300000000, 0.0026847800000000, 0.0016532300000000 ] - [ -0.0001349100000000, 0.0026878400000000, 0.0015651100000000 ] - [ 0.0159158400000000, 0.0293440200000000, -0.0092628700000000 ] - [ -0.0036557800000000, 0.0017132200000000, -0.0002131800000000 ] - [ -0.0002128900000000, 0.0022466800000000, 0.0011845500000000 ] - [ -0.0001445200000000, 0.0023465500000000, 0.0016456200000000 ] - [ -0.0001591800000000, 0.0027264400000000, 0.0015082600000000 ] - [ -0.0002107100000000, 0.0026507500000000, 0.0015927600000000 ] - [ -0.0005599500000000, 0.0018100700000000, 0.0051925600000000 ] - [ -0.0001319400000000, 0.0021499200000000, 0.0017397500000000 ] - [ -0.0097132600000000, 0.0018170200000000, -0.0029006100000000 ] - [ 0.0040138700000000, 0.0003083500000000, -0.0029805300000000 ] - [ -0.0000107900000000, 0.0026955200000000, -0.0016308600000000 ] - [ 0.0004942200000000, 0.0028244700000000, -0.0014920300000000 ] - [ 0.0005078300000000, 0.0031770900000000, -0.0018448400000000 ] - [ -0.0001441800000000, 0.0031878200000000, -0.0016701200000000 ] - [ 0.0000921000000000, 0.0017727100000000, -0.0016090300000000 ] - [ 0.0003310300000000, 0.0016791700000000, -0.0009793600000000 ] - [ 0.0001568100000000, 0.0025341000000000, -0.0016557600000000 ] - [ 0.0002403200000000, 0.0025240200000000, -0.0015366900000000 ] - [ 0.0003387200000000, 0.0026741800000000, -0.0015503800000000 ] - [ 0.0001595000000000, 0.0027883000000000, -0.0017875100000000 ] - [ 0.0230410700000000, -0.1629715700000000, -0.0195240300000000 ] - [ -0.0026889000000000, 0.0009672200000000, 0.0002148200000000 ] - [ -0.0026971000000000, 0.0014530300000000, 0.0004409600000000 ] - [ -0.0028478500000000, 0.0018521800000000, 0.0003014100000000 ] - [ -0.0031752500000000, 0.0014504000000000, 0.0003139200000000 ] - [ -0.0030058300000000, 0.0018574500000000, 0.0004245700000000 ] - [ -0.0024735900000000, 0.0015652600000000, 0.0007682900000000 ] - [ -0.0025911200000000, 0.0008793800000000, 0.0004228300000000 ] - [ -0.0027496500000000, 0.0018417600000000, 0.0006644900000000 ] - [ -0.0028505800000000, 0.0016825900000000, 0.0004654500000000 ] - [ -0.0028254700000000, 0.0018370900000000, 0.0006857000000000 ] - [ -0.0028446600000000, 0.0016896400000000, 0.0005275100000000 ] - [ 0.0030648800000000, 0.0020599200000000, -0.0001916700000000 ] - [ 0.0108025900000000, 0.0103821700000000, 0.0041244500000000 ] - [ 0.0027250500000000, 0.0017169700000000, -0.0004226300000000 ] - [ 0.0028112400000000, 0.0017877800000000, -0.0004121300000000 ] - [ 0.0034742800000000, 0.0020478600000000, -0.0003785700000000 ] - [ -0.0005488700000000, 0.0102168000000000, -0.0019112300000000 ] - [ 0.0027873400000000, 0.0014192000000000, -0.0008519400000000 ] - [ 0.0027883400000000, 0.0013298500000000, -0.0003089900000000 ] - [ 0.0027889500000000, 0.0017790200000000, -0.0004888600000000 ] - [ 0.0028635000000000, 0.0018576400000000, -0.0005465800000000 ] - [ 0.0028461000000000, 0.0014139700000000, -0.0001072000000000 ] - [ 0.0027412500000000, 0.0013250000000000, 0.0001544700000000 ] - [ -0.0050211200000000, -0.0025094700000000, 0.0084898500000000 ] - [ -0.0028536600000000, -0.0021771500000000, 0.0005169100000000 ] - [ -0.0027529100000000, -0.0011599200000000, 0.0006334200000000 ] - [ -0.0027052000000000, -0.0013636000000000, 0.0004455000000000 ] - [ -0.0024319600000000, -0.0010748600000000, 0.0005953900000000 ] - [ -0.0028716600000000, -0.0011129900000000, 0.0002363800000000 ] - [ 0.0001358200000000, -0.0025150000000000, -0.0040579300000000 ] - [ -0.0032289100000000, -0.0021765400000000, 0.0002710700000000 ] - [ -0.0027384800000000, -0.0011593000000000, 0.0000924000000000 ] - [ -0.0028051300000000, -0.0013677300000000, 0.0003723100000000 ] - [ -0.0026668400000000, -0.0010694500000000, 0.0007747400000000 ] - [ -0.0026569400000000, -0.0011103100000000, 0.0004712900000000 ] - [ 0.0027361400000000, -0.0014275200000000, -0.0004495600000000 ] - [ 0.0027824000000000, -0.0012568400000000, -0.0002475800000000 ] - [ 0.0027571300000000, -0.0012592800000000, -0.0004093400000000 ] - [ 0.0027715300000000, -0.0012426400000000, -0.0003417800000000 ] - [ 0.0026525700000000, -0.0017507800000000, -0.0004381800000000 ] - [ 0.0025959700000000, -0.0021240200000000, -0.0012709300000000 ] - [ 0.0026099000000000, -0.0009628100000000, -0.0005358400000000 ] - [ 0.0034429600000000, -0.0014241100000000, -0.0008191400000000 ] - [ 0.0027121200000000, -0.0012523800000000, -0.0004949500000000 ] - [ 0.0028107900000000, -0.0011432700000000, -0.0004431200000000 ] - [ 0.0036908100000000, -0.0019252600000000, -0.0000742800000000 ] - [ -0.0018319300000000, 0.0003808300000000, 0.0037346800000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036136000000000, -0.0023235200000000, 0.0098954300000000 ] - [ 0.0049597800000000, -0.0044918900000000, 0.0100927800000000 ] - [ 0.0040201900000000, -0.0016573500000000, 0.0094919400000000 ] - [ 0.0040740500000000, -0.0014131600000000, 0.0096068800000000 ] - [ 0.0039199300000000, -0.0019762200000000, 0.0094933900000000 ] - [ 0.0039396300000000, -0.0007089000000000, 0.0085186500000000 ] - [ 0.0021473400000000, -0.0022159300000000, 0.0072841000000000 ] - [ 0.0044451600000000, -0.0030507300000000, 0.0089012500000000 ] - [ 0.0039255300000000, -0.0014503300000000, 0.0093242900000000 ] - [ 0.0042821200000000, -0.0011495300000000, 0.0093114300000000 ] - [ 0.0044386700000000, -0.0009736200000000, 0.0098714100000000 ] - [ 0.0031923400000000, -0.0004490700000000, 0.0102757800000000 ] - [ -0.0016955600000000, -0.0413560900000000, -0.0148021300000000 ] - [ -0.0031021600000000, 0.0010210200000000, -0.0094284800000000 ] - [ -0.0037187200000000, 0.0030474700000000, -0.0096035300000000 ] - [ -0.0040020300000000, 0.0025298400000000, -0.0094908000000000 ] - [ -0.0042161500000000, -0.0022853600000000, -0.0095730100000000 ] - [ -0.0050004900000000, 0.0025695400000000, -0.0098410200000000 ] - [ -0.0032129200000000, 0.0007884200000000, -0.0101226100000000 ] - [ -0.0039716700000000, 0.0014062100000000, -0.0095167000000000 ] - [ -0.0040208900000000, 0.0026105900000000, -0.0096502000000000 ] - [ -0.0040288900000000, 0.0023701100000000, -0.0095137800000000 ] - [ -0.0042383000000000, 0.0024181500000000, -0.0086517300000000 ] - [ -0.0040385100000000, 0.0021363600000000, -0.0093875300000000 ] - [ -0.0031600100000000, -0.0023827400000000, -0.0095412000000000 ] - [ -0.0046074400000000, -0.0028497100000000, -0.0097733900000000 ] - [ -0.0043299500000000, -0.0014388000000000, -0.0088736600000000 ] - [ -0.0036009400000000, -0.0019172200000000, -0.0093756400000000 ] - [ -0.0039999200000000, -0.0014212400000000, -0.0092780600000000 ] - [ -0.0040096700000000, -0.0015458200000000, -0.0094488800000000 ] - [ 0.0022320100000000, -0.0274794500000000, -0.0210457000000000 ] - [ -0.0035377900000000, -0.0032035000000000, -0.0093426100000000 ] - [ -0.0036854600000000, -0.0008656900000000, -0.0107236800000000 ] - [ -0.0041336900000000, -0.0019132200000000, -0.0097208200000000 ] - [ -0.0040796300000000, -0.0013669900000000, -0.0095371700000000 ] - [ -0.0040798600000000, -0.0014406500000000, -0.0094837800000000 ] - [ 0.0036632200000000, 0.0021599700000000, 0.0092946700000000 ] - [ 0.0053300000000000, 0.0031685400000000, 0.0092841900000000 ] - [ 0.0038749400000000, 0.0026144400000000, 0.0095122500000000 ] - [ 0.0042481600000000, 0.0025584300000000, 0.0094093000000000 ] - [ 0.0047549100000000, 0.0026924000000000, 0.0079698100000000 ] - [ 0.0186051500000000, -0.0250798200000000, 0.0075390900000000 ] - [ 0.0039866000000000, 0.0020682500000000, 0.0093545900000000 ] - [ 0.0042949200000000, 0.0021046600000000, 0.0098456200000000 ] - [ 0.0040064000000000, 0.0025063700000000, 0.0095070400000000 ] - [ 0.0039006900000000, 0.0027353200000000, 0.0095517800000000 ] - [ 0.0039883300000000, 0.0013187900000000, 0.0100237800000000 ] - [ 0.0041924000000000, 0.0011809900000000, 0.0098254300000000 ] - [ 0.0001022800000000, -0.0023823500000000, 0.0015916800000000 ] - [ -0.0006112700000000, -0.0022697300000000, 0.0011357900000000 ] - [ -0.0001547300000000, -0.0026462300000000, 0.0015668900000000 ] - [ -0.0002039800000000, -0.0026264600000000, 0.0015555500000000 ] - [ -0.0003123600000000, -0.0024391200000000, 0.0028445100000000 ] - [ 0.0000281500000000, -0.0023704100000000, 0.0017108100000000 ] - [ 0.0010940500000000, -0.0098265000000000, 0.0094212900000000 ] - [ -0.0001962300000000, -0.0021050200000000, 0.0018065500000000 ] - [ -0.0001137200000000, -0.0027561300000000, 0.0015716500000000 ] - [ -0.0002696300000000, -0.0026714000000000, 0.0016138300000000 ] - [ -0.0003600700000000, -0.0105315700000000, -0.0021819200000000 ] - [ 0.0002847700000000, -0.0022783800000000, 0.0014049600000000 ] - [ -0.0006045800000000, -0.0010547400000000, -0.0011973000000000 ] - [ 0.0019604900000000, 0.0014654900000000, -0.0001972000000000 ] - [ 0.0002887900000000, -0.0024414300000000, -0.0016230600000000 ] - [ 0.0000969400000000, -0.0027822400000000, -0.0019166700000000 ] - [ 0.0002087500000000, -0.0025849900000000, -0.0016484500000000 ] - [ 0.0002571900000000, -0.0027867600000000, -0.0015718100000000 ] - [ -0.0000039300000000, 0.0002506400000000, -0.0029434600000000 ] - [ 0.0006556300000000, -0.0011711100000000, -0.0016930100000000 ] - [ 0.0005105800000000, -0.0026164500000000, -0.0013426000000000 ] - [ 0.0000946600000000, -0.0024951500000000, -0.0015599000000000 ] - [ 0.0001815400000000, -0.0028330100000000, -0.0016883800000000 ] - [ 0.0003436900000000, -0.0029181300000000, -0.0016280900000000 ] - [ 0.0057446000000000, -0.0070837900000000, -0.0005483900000000 ] - [ -0.0004206100000000, 0.0024663400000000, 0.0014628200000000 ] - [ -0.0001854800000000, 0.0019772200000000, 0.0015586000000000 ] - [ -0.0002716400000000, 0.0019785000000000, 0.0016506500000000 ] - [ -0.0168687100000000, -0.0252314100000000, 0.0128533900000000 ] - [ 0.0032449300000000, 0.0029407400000000, 0.0034265900000000 ] - [ -0.0001980500000000, 0.0024076900000000, 0.0020206700000000 ] - [ -0.0002554300000000, 0.0023016700000000, 0.0015764100000000 ] - [ -0.0002446200000000, 0.0019325000000000, 0.0017053500000000 ] - [ -0.0001937800000000, 0.0020077300000000, 0.0016263800000000 ] - [ 0.0001512300000000, 0.0028288000000000, -0.0019523100000000 ] - [ -0.0002747900000000, 0.0025002300000000, 0.0014805700000000 ] - [ 0.0100662100000000, 0.0027753500000000, -0.0003436300000000 ] - [ -0.0036113000000000, 0.0042961900000000, -0.0002540400000000 ] - [ 0.0004139800000000, 0.0019571200000000, -0.0015821400000000 ] - [ -0.0000904300000000, 0.0018262900000000, -0.0017249800000000 ] - [ -0.0000981200000000, 0.0014803500000000, -0.0013560300000000 ] - [ 0.0005573400000000, 0.0014655900000000, -0.0015526200000000 ] - [ 0.0003115400000000, 0.0028657900000000, -0.0016034400000000 ] - [ 0.0000765600000000, 0.0029597900000000, -0.0022291600000000 ] - [ 0.0002510000000000, 0.0021206900000000, -0.0015597800000000 ] - [ 0.0001683000000000, 0.0021364400000000, -0.0016856000000000 ] - [ 0.0000696400000000, 0.0019808100000000, -0.0016643200000000 ] - [ 0.0002519200000000, 0.0018668100000000, -0.0014353800000000 ] - [ -0.0276996500000000, 0.1636631900000000, 0.0192437900000000 ] - [ -0.0028733200000000, 0.0020423200000000, 0.0006576400000000 ] - [ -0.0028672000000000, 0.0015761300000000, 0.0004354700000000 ] - [ -0.0027182700000000, 0.0011630000000000, 0.0005725200000000 ] - [ -0.0023966200000000, 0.0015896900000000, 0.0005632800000000 ] - [ -0.0025643400000000, 0.0011696800000000, 0.0004560600000000 ] - [ -0.0030908200000000, 0.0014400800000000, 0.0001116600000000 ] - [ -0.0029786200000000, 0.0021349300000000, 0.0004549000000000 ] - [ -0.0028219900000000, 0.0011760800000000, 0.0002162500000000 ] - [ -0.0027234700000000, 0.0013331200000000, 0.0004116400000000 ] - [ -0.0027517700000000, 0.0011894200000000, 0.0001955400000000 ] - [ -0.0027284900000000, 0.0013355600000000, 0.0003518900000000 ] - [ 0.0025095400000000, 0.0009614800000000, -0.0006866700000000 ] - [ -0.0050916500000000, -0.0071576900000000, -0.0048936300000000 ] - [ 0.0028486300000000, 0.0013025400000000, -0.0004499300000000 ] - [ 0.0027521800000000, 0.0012200500000000, -0.0004595200000000 ] - [ 0.0020837100000000, 0.0009552800000000, -0.0005026100000000 ] - [ 0.0062127600000000, -0.0073205300000000, 0.0010524000000000 ] - [ 0.0027780600000000, 0.0015869200000000, -0.0000242000000000 ] - [ 0.0027946100000000, 0.0016851000000000, -0.0005647000000000 ] - [ 0.0027854800000000, 0.0012423200000000, -0.0003961800000000 ] - [ 0.0027056000000000, 0.0011654300000000, -0.0003325800000000 ] - [ 0.0027207800000000, 0.0015949900000000, -0.0007706300000000 ] - [ 0.0028212500000000, 0.0016796000000000, -0.0010184200000000 ] - [ -0.0005737200000000, -0.0005363800000000, -0.0075000800000000 ] - [ -0.0027203500000000, -0.0008465000000000, 0.0003594500000000 ] - [ -0.0028129400000000, -0.0018481300000000, 0.0002450700000000 ] - [ -0.0028633500000000, -0.0016505300000000, 0.0004399700000000 ] - [ -0.0031468200000000, -0.0019355900000000, 0.0002639000000000 ] - [ -0.0026978300000000, -0.0018985000000000, 0.0006357500000000 ] - [ -0.0057133700000000, -0.0005382900000000, 0.0049716700000000 ] - [ -0.0023395000000000, -0.0008493600000000, 0.0006088900000000 ] - [ -0.0028307100000000, -0.0018520300000000, 0.0007760500000000 ] - [ -0.0027753700000000, -0.0016519000000000, 0.0005073900000000 ] - [ -0.0028841800000000, -0.0019411800000000, 0.0000872900000000 ] - [ -0.0029139600000000, -0.0019009900000000, 0.0004057800000000 ] - [ 0.0028316600000000, -0.0015898300000000, -0.0004322800000000 ] - [ 0.0027989100000000, -0.0017570500000000, -0.0006339400000000 ] - [ 0.0028169600000000, -0.0017627300000000, -0.0004765900000000 ] - [ 0.0028014900000000, -0.0017656300000000, -0.0005380100000000 ] - [ 0.0029171400000000, -0.0012708800000000, -0.0004464700000000 ] - [ 0.0030014800000000, -0.0009003900000000, 0.0004133500000000 ] - [ 0.0029554000000000, -0.0020440300000000, -0.0003428300000000 ] - [ 0.0021397900000000, -0.0015986700000000, -0.0000652100000000 ] - [ 0.0028543100000000, -0.0017491000000000, -0.0003796200000000 ] - [ 0.0027572300000000, -0.0018613400000000, -0.0004390800000000 ] - [ 0.0018644500000000, -0.0010887200000000, -0.0008268700000000 ] - [ 0.0073902000000000, -0.0033765400000000, -0.0046175800000000 ]- atom: 97 displacement: [ -0.0037589592321771, 0.0000000000000000, 0.0092666188812765 ] forces: - [ 0.0043640700000000, -0.0019258600000000, 0.0090402100000000 ] - [ 0.0033657700000000, -0.0007690600000000, 0.0101328600000000 ] - [ 0.0040640600000000, -0.0020306500000000, 0.0094705200000000 ] - [ 0.0039810000000000, -0.0022353600000000, 0.0095083100000000 ] - [ 0.0039638300000000, -0.0017253000000000, 0.0090555100000000 ] - [ 0.0042847100000000, -0.0016469900000000, 0.0097382500000000 ] - [ 0.0027963200000000, -0.0015131600000000, 0.0098466600000000 ] - [ 0.0061270500000000, 0.0003771700000000, 0.0089212000000000 ] - [ 0.0040095200000000, -0.0020819400000000, 0.0095292700000000 ] - [ 0.0040518800000000, -0.0021044800000000, 0.0095007000000000 ] - [ 0.0034507800000000, -0.0025136700000000, 0.0100848100000000 ] - [ 0.0053341800000000, -0.0030325200000000, 0.0100511400000000 ] - [ -0.0149690400000000, 0.0116037400000000, 0.0163698200000000 ] - [ -0.0033273400000000, 0.0022417700000000, -0.0094353000000000 ] - [ -0.0039665800000000, 0.0020653200000000, -0.0093953300000000 ] - [ -0.0039880500000000, 0.0019189100000000, -0.0094478300000000 ] - [ -0.0031936800000000, 0.0017007100000000, -0.0100080100000000 ] - [ -0.0032306700000000, 0.0016679100000000, -0.0095047800000000 ] - [ -0.0038592600000000, 0.0032357400000000, -0.0107943900000000 ] - [ -0.0045956700000000, 0.0021149800000000, -0.0097928300000000 ] - [ -0.0039239600000000, 0.0019168200000000, -0.0096376100000000 ] - [ -0.0040305800000000, 0.0019481200000000, -0.0095649900000000 ] - [ -0.0041688500000000, 0.0017511600000000, -0.0107352300000000 ] - [ -0.0040838600000000, 0.0019654600000000, -0.0095129300000000 ] - [ -0.0059501300000000, -0.0025226800000000, -0.0069529200000000 ] - [ -0.0040479700000000, -0.0022862400000000, -0.0099097200000000 ] - [ -0.0035311200000000, -0.0036644700000000, -0.0106147000000000 ] - [ -0.0042568500000000, -0.0021675700000000, -0.0095849600000000 ] - [ -0.0041771100000000, -0.0020852800000000, -0.0096125100000000 ] - [ -0.0040549100000000, -0.0020130900000000, -0.0095925500000000 ] - [ -0.0247292200000000, 0.0117788400000000, 0.0400106700000000 ] - [ -0.0028512000000000, -0.0024182100000000, -0.0087948700000000 ] - [ -0.0042182800000000, -0.0007722900000000, -0.0088318200000000 ] - [ -0.0038094000000000, -0.0020327000000000, -0.0092533400000000 ] - [ -0.0039629500000000, -0.0020982300000000, -0.0093862400000000 ] - [ -0.0039902900000000, -0.0021437900000000, -0.0093445800000000 ] - [ 0.0045922300000000, 0.0016139300000000, 0.0099703600000000 ] - [ 0.0034412100000000, 0.0020490900000000, 0.0095156400000000 ] - [ 0.0040188500000000, 0.0022045300000000, 0.0095790900000000 ] - [ 0.0038602700000000, 0.0023284900000000, 0.0098876600000000 ] - [ 0.0058564500000000, 0.0035601800000000, 0.0097201200000000 ] - [ -0.0226379700000000, 0.0087935100000000, 0.0279147800000000 ] - [ 0.0039065000000000, 0.0022350000000000, 0.0093243400000000 ] - [ 0.0040720800000000, 0.0020667800000000, 0.0086108500000000 ] - [ 0.0039315700000000, 0.0018871800000000, 0.0093677500000000 ] - [ 0.0041928800000000, 0.0016789500000000, 0.0092959700000000 ] - [ 0.0029648000000000, 0.0018300600000000, 0.0079549500000000 ] - [ 0.0048757800000000, 0.0021965900000000, 0.0083865300000000 ] - [ -0.0002945600000000, -0.0027172300000000, 0.0024226700000000 ] - [ 0.0002260200000000, -0.0022752900000000, 0.0019147300000000 ] - [ -0.0001967300000000, -0.0022434900000000, 0.0016328600000000 ] - [ -0.0002041800000000, -0.0022752600000000, 0.0016610000000000 ] - [ -0.0002982100000000, -0.0023363900000000, 0.0031791500000000 ] - [ -0.0000927600000000, -0.0024637600000000, 0.0017621900000000 ] - [ 0.0023452700000000, -0.0057828800000000, 0.0007883300000000 ] - [ -0.0006038200000000, -0.0024754800000000, 0.0012384900000000 ] - [ -0.0002160200000000, -0.0022433700000000, 0.0016098500000000 ] - [ -0.0001822100000000, -0.0022448700000000, 0.0015394400000000 ] - [ 0.0012354000000000, 0.0027719100000000, 0.0012831800000000 ] - [ -0.0008730200000000, -0.0022734700000000, 0.0012654700000000 ] - [ -0.0006840500000000, -0.0021886900000000, -0.0005534500000000 ] - [ 0.0059434100000000, -0.0011441700000000, 0.0036501000000000 ] - [ -0.0000881200000000, -0.0021659200000000, -0.0015685600000000 ] - [ 0.0003448900000000, -0.0021066800000000, -0.0017505300000000 ] - [ 0.0002561800000000, -0.0024132000000000, -0.0015195200000000 ] - [ 0.0001879000000000, -0.0023262700000000, -0.0015764900000000 ] - [ 0.0049267700000000, -0.0028778300000000, 0.0030066800000000 ] - [ -0.0006507800000000, -0.0025993900000000, -0.0007574200000000 ] - [ 0.0002479700000000, -0.0023828100000000, -0.0015360000000000 ] - [ 0.0001428500000000, -0.0023674000000000, -0.0014866600000000 ] - [ 0.0003651600000000, -0.0021605200000000, -0.0016591900000000 ] - [ -0.0000128800000000, -0.0019837900000000, -0.0017359400000000 ] - [ -0.0012233900000000, 0.0073667600000000, -0.0000289800000000 ] - [ -0.0001499900000000, 0.0022618700000000, 0.0015019000000000 ] - [ -0.0002470000000000, 0.0023666200000000, 0.0017087800000000 ] - [ -0.0002075200000000, 0.0023881700000000, 0.0015840900000000 ] - [ -0.0201138900000000, -0.0158755200000000, 0.0191831400000000 ] - [ -0.0019178000000000, 0.0027720600000000, -0.0010852100000000 ] - [ -0.0002814300000000, 0.0020403800000000, 0.0017866200000000 ] - [ -0.0001750400000000, 0.0022590800000000, 0.0018197600000000 ] - [ -0.0001666900000000, 0.0024173400000000, 0.0016415400000000 ] - [ -0.0002869000000000, 0.0024132200000000, 0.0016616000000000 ] - [ -0.0002371800000000, 0.0059970900000000, 0.0102715600000000 ] - [ -0.0003460200000000, 0.0022590600000000, 0.0018009600000000 ] - [ -0.0035952200000000, 0.0045254700000000, -0.0050680800000000 ] - [ -0.0034565500000000, 0.0000311100000000, -0.0033338000000000 ] - [ 0.0002766300000000, 0.0024495400000000, -0.0016835600000000 ] - [ 0.0002572900000000, 0.0023933900000000, -0.0016360300000000 ] - [ 0.0004315200000000, 0.0016865900000000, -0.0022150000000000 ] - [ 0.0003345800000000, 0.0027485600000000, -0.0019167700000000 ] - [ 0.0003030600000000, 0.0019621600000000, -0.0010120400000000 ] - [ 0.0000145900000000, 0.0024675400000000, -0.0006958000000000 ] - [ 0.0001594000000000, 0.0023234200000000, -0.0015169300000000 ] - [ 0.0001845000000000, 0.0024042000000000, -0.0015288100000000 ] - [ 0.0002521500000000, 0.0024718500000000, -0.0013980900000000 ] - [ 0.0001245000000000, 0.0022527700000000, -0.0015296000000000 ] - [ 0.0863222800000000, -0.0252815600000000, -0.1472202700000000 ] - [ -0.0031421400000000, 0.0012663500000000, 0.0001871600000000 ] - [ -0.0033093500000000, 0.0015352200000000, 0.0005181300000000 ] - [ -0.0028915300000000, 0.0015735100000000, 0.0003745300000000 ] - [ -0.0032216300000000, 0.0014706600000000, 0.0005609500000000 ] - [ -0.0028972900000000, 0.0014072000000000, 0.0003538700000000 ] - [ -0.0030842400000000, 0.0016934800000000, 0.0002566700000000 ] - [ -0.0021756300000000, 0.0014210700000000, 0.0007307300000000 ] - [ -0.0029281800000000, 0.0017371900000000, 0.0007816000000000 ] - [ -0.0027241100000000, 0.0016035600000000, 0.0004937300000000 ] - [ -0.0027148200000000, 0.0016859600000000, 0.0008691500000000 ] - [ -0.0027650500000000, 0.0015428200000000, 0.0004719500000000 ] - [ 0.0023827400000000, 0.0017130600000000, -0.0000501900000000 ] - [ 0.0044453500000000, 0.0015952700000000, -0.0026152100000000 ] - [ 0.0028247500000000, 0.0014820800000000, -0.0004793100000000 ] - [ 0.0027364900000000, 0.0015003600000000, -0.0004874800000000 ] - [ 0.0019251800000000, 0.0013953400000000, -0.0002446400000000 ] - [ 0.0048080500000000, 0.0003390500000000, -0.0024544400000000 ] - [ 0.0029741200000000, 0.0012338700000000, -0.0003454300000000 ] - [ 0.0023967200000000, 0.0009553200000000, -0.0000363700000000 ] - [ 0.0028037200000000, 0.0015521300000000, -0.0004309100000000 ] - [ 0.0027999800000000, 0.0016262800000000, -0.0004257200000000 ] - [ 0.0031383300000000, 0.0018810100000000, -0.0002732500000000 ] - [ 0.0025176800000000, 0.0013873300000000, 0.0000116100000000 ] - [ -0.0069229200000000, 0.0038413400000000, 0.0119147200000000 ] - [ -0.0029165400000000, -0.0015229400000000, 0.0004406700000000 ] - [ -0.0027396000000000, -0.0011944900000000, 0.0003778900000000 ] - [ -0.0027723100000000, -0.0014624800000000, 0.0004548100000000 ] - [ -0.0026354700000000, -0.0018053400000000, 0.0006652100000000 ] - [ -0.0027907300000000, -0.0014938500000000, 0.0005329300000000 ] - [ -0.0073029900000000, -0.0096766800000000, 0.0115107300000000 ] - [ -0.0026680900000000, -0.0015954900000000, 0.0005379100000000 ] - [ -0.0027071600000000, -0.0016740300000000, 0.0003890200000000 ] - [ -0.0027832800000000, -0.0014764400000000, 0.0004465000000000 ] - [ -0.0027215000000000, -0.0015192100000000, 0.0006288600000000 ] - [ -0.0028055600000000, -0.0013658200000000, 0.0005436800000000 ] - [ 0.0027629300000000, -0.0014962200000000, -0.0002418400000000 ] - [ 0.0027567400000000, -0.0013122900000000, 0.0002855100000000 ] - [ 0.0027891700000000, -0.0014667300000000, -0.0003966000000000 ] - [ 0.0027160300000000, -0.0014098800000000, -0.0003448900000000 ] - [ 0.0027550800000000, -0.0014459200000000, 0.0003689500000000 ] - [ 0.0019351200000000, -0.0022073500000000, 0.0006026100000000 ] - [ 0.0027787900000000, -0.0015324000000000, -0.0007060800000000 ] - [ 0.0027152700000000, -0.0020938200000000, -0.0007627400000000 ] - [ 0.0027148200000000, -0.0015133200000000, -0.0004847300000000 ] - [ 0.0028106200000000, -0.0015161600000000, -0.0005447600000000 ] - [ 0.0018867400000000, -0.0014988800000000, -0.0018197400000000 ] - [ -0.0047854400000000, 0.0040680300000000, 0.0028523700000000 ]- atom: 97 displacement: [ 0.0037589592321771, 0.0000000000000000, -0.0092666188812765 ] forces: - [ 0.0036896300000000, -0.0021071500000000, 0.0099540700000000 ] - [ 0.0046948900000000, -0.0032416400000000, 0.0088935300000000 ] - [ 0.0039886300000000, -0.0020041600000000, 0.0095155000000000 ] - [ 0.0040635100000000, -0.0018021800000000, 0.0094836100000000 ] - [ 0.0040806900000000, -0.0023198800000000, 0.0099403700000000 ] - [ 0.0037727500000000, -0.0023845300000000, 0.0092573200000000 ] - [ 0.0052624000000000, -0.0025170000000000, 0.0091441400000000 ] - [ 0.0018922800000000, -0.0044332200000000, 0.0100737000000000 ] - [ 0.0040408000000000, -0.0019568900000000, 0.0094628400000000 ] - [ 0.0039929100000000, -0.0019276700000000, 0.0094906000000000 ] - [ 0.0046039100000000, -0.0015188500000000, 0.0088907400000000 ] - [ 0.0026838600000000, -0.0009788500000000, 0.0089242900000000 ] - [ 0.0066825700000000, -0.0070183400000000, -0.0351586700000000 ] - [ -0.0047216800000000, 0.0017926900000000, -0.0095612500000000 ] - [ -0.0040789600000000, 0.0019673700000000, -0.0095922900000000 ] - [ -0.0040508000000000, 0.0021206200000000, -0.0095362000000000 ] - [ -0.0048420500000000, 0.0023439000000000, -0.0089805100000000 ] - [ -0.0048259600000000, 0.0023588200000000, -0.0094804000000000 ] - [ -0.0041941500000000, 0.0007737400000000, -0.0081843300000000 ] - [ -0.0034453000000000, 0.0019198500000000, -0.0091930200000000 ] - [ -0.0041324400000000, 0.0021165600000000, -0.0093586100000000 ] - [ -0.0040208200000000, 0.0020930200000000, -0.0094266300000000 ] - [ -0.0038787900000000, 0.0022979900000000, -0.0082311500000000 ] - [ -0.0039662700000000, 0.0020710600000000, -0.0094731700000000 ] - [ -0.0021947300000000, -0.0015684800000000, -0.0118353400000000 ] - [ -0.0039895100000000, -0.0017637900000000, -0.0090719200000000 ] - [ -0.0045336500000000, -0.0003821700000000, -0.0083677900000000 ] - [ -0.0037863100000000, -0.0018656700000000, -0.0094057100000000 ] - [ -0.0038611500000000, -0.0019663300000000, -0.0093647600000000 ] - [ -0.0039946400000000, -0.0020385400000000, -0.0094004200000000 ] - [ 0.0175128400000000, -0.0170903900000000, -0.0623936700000000 ] - [ -0.0052150100000000, -0.0016294700000000, -0.0102168200000000 ] - [ -0.0038180400000000, -0.0032829400000000, -0.0101699800000000 ] - [ -0.0042360500000000, -0.0020127000000000, -0.0097265100000000 ] - [ -0.0040852600000000, -0.0019468100000000, -0.0096087600000000 ] - [ -0.0040547800000000, -0.0019056300000000, -0.0096397800000000 ] - [ 0.0034452500000000, 0.0024403700000000, 0.0090127200000000 ] - [ 0.0046008900000000, 0.0020079100000000, 0.0094594100000000 ] - [ 0.0040182900000000, 0.0018308200000000, 0.0093946600000000 ] - [ 0.0041971900000000, 0.0017146800000000, 0.0091012800000000 ] - [ 0.0021043200000000, 0.0004762400000000, 0.0092847500000000 ] - [ 0.0309389800000000, -0.0049580000000000, -0.0088862800000000 ] - [ 0.0041516800000000, 0.0018121400000000, 0.0096749800000000 ] - [ 0.0039746500000000, 0.0019841400000000, 0.0103824300000000 ] - [ 0.0041097300000000, 0.0021567300000000, 0.0096100700000000 ] - [ 0.0038579300000000, 0.0023734900000000, 0.0097032300000000 ] - [ 0.0051265600000000, 0.0022125300000000, 0.0110742800000000 ] - [ 0.0031634100000000, 0.0018467200000000, 0.0106285300000000 ] - [ -0.0001035700000000, -0.0019198500000000, 0.0007914900000000 ] - [ -0.0006317800000000, -0.0023750300000000, 0.0012895600000000 ] - [ -0.0002119300000000, -0.0024100700000000, 0.0015836500000000 ] - [ -0.0001964400000000, -0.0023694600000000, 0.0015505700000000 ] - [ -0.0000972500000000, -0.0022911400000000, 0.0000237100000000 ] - [ -0.0003101800000000, -0.0021782800000000, 0.0014477900000000 ] - [ -0.0027652600000000, 0.0011038400000000, 0.0024597900000000 ] - [ 0.0002142700000000, -0.0021727000000000, 0.0019832200000000 ] - [ -0.0001849300000000, -0.0024127100000000, 0.0016039300000000 ] - [ -0.0002099100000000, -0.0024005500000000, 0.0016817600000000 ] - [ -0.0016728400000000, -0.0074834400000000, 0.0019283300000000 ] - [ 0.0004860700000000, -0.0023745200000000, 0.0019626500000000 ] - [ 0.0011079500000000, -0.0024695300000000, -0.0026753600000000 ] - [ -0.0055697700000000, -0.0035011500000000, -0.0068913700000000 ] - [ 0.0005006000000000, -0.0024900100000000, -0.0016439900000000 ] - [ 0.0000483400000000, -0.0025460800000000, -0.0014736700000000 ] - [ 0.0001510300000000, -0.0022457200000000, -0.0017127100000000 ] - [ 0.0002223200000000, -0.0023336400000000, -0.0016460600000000 ] - [ -0.0045809400000000, -0.0017736600000000, -0.0062042100000000 ] - [ 0.0010624500000000, -0.0020538300000000, -0.0024672600000000 ] - [ 0.0001584400000000, -0.0022731200000000, -0.0016761200000000 ] - [ 0.0002615300000000, -0.0022889700000000, -0.0017266400000000 ] - [ 0.0000303700000000, -0.0024888600000000, -0.0015565100000000 ] - [ 0.0004304500000000, -0.0026810500000000, -0.0014710200000000 ] - [ 0.0008240500000000, -0.0027296800000000, 0.0032297700000000 ] - [ -0.0002583000000000, 0.0023940600000000, 0.0017115600000000 ] - [ -0.0001650600000000, 0.0022955900000000, 0.0015040500000000 ] - [ -0.0002029700000000, 0.0022650200000000, 0.0016372500000000 ] - [ 0.0191678600000000, 0.0200316000000000, -0.0157295800000000 ] - [ 0.0015065900000000, 0.0018891100000000, 0.0043027700000000 ] - [ -0.0001183000000000, 0.0026149000000000, 0.0014290100000000 ] - [ -0.0002258500000000, 0.0023998500000000, 0.0013972900000000 ] - [ -0.0002354700000000, 0.0022292900000000, 0.0015742700000000 ] - [ -0.0001091100000000, 0.0022387200000000, 0.0015640800000000 ] - [ -0.0001393600000000, -0.0014127400000000, -0.0072330000000000 ] - [ -0.0000560200000000, 0.0023996000000000, 0.0014137100000000 ] - [ 0.0040236000000000, 0.0001126800000000, 0.0018406800000000 ] - [ 0.0038534700000000, 0.0046015500000000, 0.0001566900000000 ] - [ 0.0001190700000000, 0.0021929600000000, -0.0015326600000000 ] - [ 0.0001455800000000, 0.0022485300000000, -0.0015710000000000 ] - [ -0.0000514700000000, 0.0029501700000000, -0.0009977000000000 ] - [ 0.0000601100000000, 0.0018852500000000, -0.0012817700000000 ] - [ 0.0001026800000000, 0.0027046200000000, -0.0022175700000000 ] - [ 0.0003780000000000, 0.0021778200000000, -0.0025274700000000 ] - [ 0.0002451500000000, 0.0023339100000000, -0.0017046300000000 ] - [ 0.0002175400000000, 0.0022523000000000, -0.0016934800000000 ] - [ 0.0001482800000000, 0.0021805000000000, -0.0018173000000000 ] - [ 0.0002729100000000, 0.0024026100000000, -0.0016926600000000 ] - [ -0.0921292700000000, 0.0297223700000000, 0.1509675400000000 ] - [ -0.0023955900000000, 0.0017367600000000, 0.0007122200000000 ] - [ -0.0022315300000000, 0.0014705800000000, 0.0003665300000000 ] - [ -0.0026743100000000, 0.0014428400000000, 0.0005199200000000 ] - [ -0.0023289800000000, 0.0015346500000000, 0.0003371200000000 ] - [ -0.0026462300000000, 0.0016022400000000, 0.0005284300000000 ] - [ -0.0024674800000000, 0.0013198700000000, 0.0006147700000000 ] - [ -0.0034206500000000, 0.0015989700000000, 0.0001469600000000 ] - [ -0.0026327500000000, 0.0012590500000000, 0.0000880800000000 ] - [ -0.0028464900000000, 0.0014064200000000, 0.0003968100000000 ] - [ -0.0028626600000000, 0.0013164100000000, -0.0000075900000000 ] - [ -0.0027933200000000, 0.0014525900000000, 0.0004149800000000 ] - [ 0.0031872200000000, 0.0013042200000000, -0.0008425600000000 ] - [ 0.0011204600000000, 0.0014008600000000, 0.0016896100000000 ] - [ 0.0027415100000000, 0.0015434400000000, -0.0004089900000000 ] - [ 0.0028356700000000, 0.0015282900000000, -0.0004114900000000 ] - [ 0.0036501800000000, 0.0016466000000000, -0.0006635300000000 ] - [ 0.0007615600000000, 0.0027146100000000, 0.0015679300000000 ] - [ 0.0025967600000000, 0.0017854600000000, -0.0005547100000000 ] - [ 0.0031873300000000, 0.0020692400000000, -0.0008662700000000 ] - [ 0.0027662800000000, 0.0014650000000000, -0.0004728000000000 ] - [ 0.0027735400000000, 0.0013770600000000, -0.0004677900000000 ] - [ 0.0024335800000000, 0.0011098600000000, -0.0006235300000000 ] - [ 0.0030658900000000, 0.0016320600000000, -0.0009157700000000 ] - [ 0.0012715400000000, -0.0067335500000000, -0.0108327200000000 ] - [ -0.0026508300000000, -0.0014904900000000, 0.0004568300000000 ] - [ -0.0028337300000000, -0.0018407100000000, 0.0005202300000000 ] - [ -0.0027898900000000, -0.0015526500000000, 0.0004333800000000 ] - [ -0.0029422600000000, -0.0012345200000000, 0.0002363800000000 ] - [ -0.0027864400000000, -0.0015198700000000, 0.0003467600000000 ] - [ 0.0018325200000000, 0.0068188300000000, -0.0108505400000000 ] - [ -0.0029085000000000, -0.0014142000000000, 0.0003576400000000 ] - [ -0.0028692700000000, -0.0013477800000000, 0.0005118200000000 ] - [ -0.0027930000000000, -0.0015312400000000, 0.0004412300000000 ] - [ -0.0028552300000000, -0.0015003200000000, 0.0002780100000000 ] - [ -0.0027718500000000, -0.0016721000000000, 0.0003604100000000 ] - [ 0.0028019600000000, -0.0015175900000000, -0.0006527000000000 ] - [ 0.0028016200000000, -0.0016919100000000, -0.0011804200000000 ] - [ 0.0027762300000000, -0.0015550000000000, -0.0004898300000000 ] - [ 0.0028437500000000, -0.0016028600000000, -0.0005647600000000 ] - [ 0.0028058300000000, -0.0015667400000000, -0.0012797500000000 ] - [ 0.0036125100000000, -0.0008110300000000, -0.0014681600000000 ] - [ 0.0027898500000000, -0.0014769100000000, -0.0001793900000000 ] - [ 0.0028440400000000, -0.0009005200000000, -0.0001069100000000 ] - [ 0.0028307100000000, -0.0014771400000000, -0.0003835300000000 ] - [ 0.0027539300000000, -0.0014892700000000, -0.0003239800000000 ] - [ 0.0036882200000000, -0.0015035500000000, 0.0009653300000000 ] - [ 0.0104913900000000, -0.0071471300000000, -0.0037281300000000 ]