# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dceace59-8302-49a7-b431-5e55261e7b76/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 LiCaGaF6 / P-31c (163) / materials id 12829](https://mdr.nims.go.jp/datasets/fbb1ce34-7098-4960-8512-0c32ae27d86b) ## 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: "P-31c" number: 163 Hall_symbol: "-P 3 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.074788930000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.537394470000000, 4.394896140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.718627059999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 6.941000 - symbol: F # 3 coordinates: [ 0.983968640000000, 0.635347590000000, 0.860269160000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.016031360000000, 0.651378950000000, 0.360269160000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.635347590000000, 0.983968640000000, 0.360269160000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.348621050000000, 0.364652410000000, 0.360269160000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.651378950000000, 0.635347590000000, 0.639730840000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.651378950000000, 0.016031360000000, 0.860269160000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.364652410000000, 0.348621050000000, 0.860269160000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.364652410000000, 0.016031360000000, 0.639730840000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.348621050000000, 0.983968640000000, 0.139730840000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.983968640000000, 0.348621050000000, 0.639730840000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.016031360000000, 0.364652410000000, 0.139730840000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.635347590000000, 0.651378950000000, 0.139730840000000 ] mass: 18.998403 - symbol: Ca # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ga # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 69.723000 - symbol: Ga # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 69.723000 reciprocal_lattice: # without 2pi - [ 0.197052530419231, 0.113768331504931, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.227536662561496, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.102895192276264 ] # c*unit_cell: lattice: - [ 5.074788930000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.537394470000000, 4.394896140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.718627059999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.983968640000000, 0.635347590000000, 0.860269160000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.016031360000000, 0.651378950000000, 0.360269160000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.635347590000000, 0.983968640000000, 0.360269160000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.348621050000000, 0.364652410000000, 0.360269160000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.651378950000000, 0.635347590000000, 0.639730840000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.651378950000000, 0.016031360000000, 0.860269160000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.364652410000000, 0.348621050000000, 0.860269160000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.364652410000000, 0.016031360000000, 0.639730840000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.348621050000000, 0.983968640000000, 0.139730840000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.983968640000000, 0.348621050000000, 0.639730840000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.016031360000000, 0.364652410000000, 0.139730840000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.635347590000000, 0.651378950000000, 0.139730840000000 ] mass: 18.998403 reduced_to: 14 - symbol: Ca # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 15 - symbol: Ca # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 16 - symbol: Ga # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 18supercell: lattice: - [ 10.149577860000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.074788940000000, 8.789792280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.437254119999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: F # 17 coordinates: [ 0.491984320000000, 0.317673795000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.991984320000000, 0.317673795000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.491984320000000, 0.817673795000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.991984320000000, 0.817673795000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.491984320000000, 0.317673795000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 22 coordinates: [ 0.991984320000000, 0.317673795000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 23 coordinates: [ 0.491984320000000, 0.817673795000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 24 coordinates: [ 0.991984320000000, 0.817673795000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 25 coordinates: [ 0.008015680000000, 0.325689475000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.508015680000000, 0.325689475000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.008015680000000, 0.825689475000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.508015680000000, 0.825689475000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.008015680000000, 0.325689475000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 30 coordinates: [ 0.508015680000000, 0.325689475000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 31 coordinates: [ 0.008015680000000, 0.825689475000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 32 coordinates: [ 0.508015680000000, 0.825689475000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 33 coordinates: [ 0.317673795000000, 0.491984320000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.817673795000000, 0.491984320000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.317673795000000, 0.991984320000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 36 coordinates: [ 0.817673795000000, 0.991984320000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 37 coordinates: [ 0.317673795000000, 0.491984320000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 38 coordinates: [ 0.817673795000000, 0.491984320000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 39 coordinates: [ 0.317673795000000, 0.991984320000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 40 coordinates: [ 0.817673795000000, 0.991984320000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 41 coordinates: [ 0.174310525000000, 0.182326205000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.674310525000000, 0.182326205000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.174310525000000, 0.682326205000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 44 coordinates: [ 0.674310525000000, 0.682326205000000, 0.180134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 45 coordinates: [ 0.174310525000000, 0.182326205000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 46 coordinates: [ 0.674310525000000, 0.182326205000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 47 coordinates: [ 0.174310525000000, 0.682326205000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 48 coordinates: [ 0.674310525000000, 0.682326205000000, 0.680134580000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 49 coordinates: [ 0.325689475000000, 0.317673795000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.825689475000000, 0.317673795000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.325689475000000, 0.817673795000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.825689475000000, 0.817673795000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.325689475000000, 0.317673795000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 54 coordinates: [ 0.825689475000000, 0.317673795000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 55 coordinates: [ 0.325689475000000, 0.817673795000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 56 coordinates: [ 0.825689475000000, 0.817673795000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 57 coordinates: [ 0.325689475000000, 0.008015680000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.825689475000000, 0.008015680000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.325689475000000, 0.508015680000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 60 coordinates: [ 0.825689475000000, 0.508015680000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 61 coordinates: [ 0.325689475000000, 0.008015680000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 62 coordinates: [ 0.825689475000000, 0.008015680000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 63 coordinates: [ 0.325689475000000, 0.508015680000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 64 coordinates: [ 0.825689475000000, 0.508015680000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 65 coordinates: [ 0.182326205000000, 0.174310525000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.682326205000000, 0.174310525000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.182326205000000, 0.674310525000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 68 coordinates: [ 0.682326205000000, 0.674310525000000, 0.430134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 69 coordinates: [ 0.182326205000000, 0.174310525000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 70 coordinates: [ 0.682326205000000, 0.174310525000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 71 coordinates: [ 0.182326205000000, 0.674310525000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 72 coordinates: [ 0.682326205000000, 0.674310525000000, 0.930134580000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 73 coordinates: [ 0.182326205000000, 0.008015680000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.682326205000000, 0.008015680000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.182326205000000, 0.508015680000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.682326205000000, 0.508015680000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.182326205000000, 0.008015680000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.682326205000000, 0.008015680000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.182326205000000, 0.508015680000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 80 coordinates: [ 0.682326205000000, 0.508015680000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 81 coordinates: [ 0.174310525000000, 0.491984320000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.674310525000000, 0.491984320000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.174310525000000, 0.991984320000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 84 coordinates: [ 0.674310525000000, 0.991984320000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 85 coordinates: [ 0.174310525000000, 0.491984320000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 86 coordinates: [ 0.674310525000000, 0.491984320000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 87 coordinates: [ 0.174310525000000, 0.991984320000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 88 coordinates: [ 0.674310525000000, 0.991984320000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 89 coordinates: [ 0.491984320000000, 0.174310525000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.991984320000000, 0.174310525000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.491984320000000, 0.674310525000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 92 coordinates: [ 0.991984320000000, 0.674310525000000, 0.319865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 93 coordinates: [ 0.491984320000000, 0.174310525000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 94 coordinates: [ 0.991984320000000, 0.174310525000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 95 coordinates: [ 0.491984320000000, 0.674310525000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 96 coordinates: [ 0.991984320000000, 0.674310525000000, 0.819865420000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 97 coordinates: [ 0.008015680000000, 0.182326205000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.508015680000000, 0.182326205000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.008015680000000, 0.682326205000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 100 coordinates: [ 0.508015680000000, 0.682326205000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 101 coordinates: [ 0.008015680000000, 0.182326205000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 102 coordinates: [ 0.508015680000000, 0.182326205000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 103 coordinates: [ 0.008015680000000, 0.682326205000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 104 coordinates: [ 0.508015680000000, 0.682326205000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 105 coordinates: [ 0.317673795000000, 0.325689475000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 106 coordinates: [ 0.817673795000000, 0.325689475000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 107 coordinates: [ 0.317673795000000, 0.825689475000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 108 coordinates: [ 0.817673795000000, 0.825689475000000, 0.069865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 109 coordinates: [ 0.317673795000000, 0.325689475000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 110 coordinates: [ 0.817673795000000, 0.325689475000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 111 coordinates: [ 0.317673795000000, 0.825689475000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 112 coordinates: [ 0.817673795000000, 0.825689475000000, 0.569865420000000 ] mass: 18.998403 reduced_to: 105 - symbol: Ca # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 121 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 122 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 123 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 125 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 126 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 127 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 128 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ga # 129 coordinates: [ 0.333333335000000, 0.166666665000000, 0.375000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 130 coordinates: [ 0.833333335000000, 0.166666665000000, 0.375000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 131 coordinates: [ 0.333333335000000, 0.666666665000000, 0.375000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 132 coordinates: [ 0.833333335000000, 0.666666665000000, 0.375000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 133 coordinates: [ 0.333333335000000, 0.166666665000000, 0.875000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 134 coordinates: [ 0.833333335000000, 0.166666665000000, 0.875000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 135 coordinates: [ 0.333333335000000, 0.666666665000000, 0.875000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 136 coordinates: [ 0.833333335000000, 0.666666665000000, 0.875000000000000 ] mass: 69.723000 reduced_to: 129 - symbol: Ga # 137 coordinates: [ 0.166666665000000, 0.333333335000000, 0.125000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 138 coordinates: [ 0.666666665000000, 0.333333335000000, 0.125000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 139 coordinates: [ 0.166666665000000, 0.833333335000000, 0.125000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 140 coordinates: [ 0.666666665000000, 0.833333335000000, 0.125000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 141 coordinates: [ 0.166666665000000, 0.333333335000000, 0.625000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 142 coordinates: [ 0.666666665000000, 0.333333335000000, 0.625000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 143 coordinates: [ 0.166666665000000, 0.833333335000000, 0.625000000000000 ] mass: 69.723000 reduced_to: 137 - symbol: Ga # 144 coordinates: [ 0.666666665000000, 0.833333335000000, 0.625000000000000 ] mass: 69.723000 reduced_to: 137born_effective_charge:- # 1 (Li) - [ 1.130687900000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.130687900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.912633730000000 ]- # 2 (Li) - [ 1.130687900000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.130687900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.912633730000000 ]- # 3 (F) - [ -0.942944430000000, -0.059997180000000, 0.016195920000000 ] - [ -0.068313300000000, -1.217260550000000, -0.378704060000000 ] - [ 0.012275650000000, -0.379036500000000, -1.061058870000000 ]- # 4 (F) - [ -1.204241587827179, 0.082546684029475, 0.319869377072541 ] - [ 0.090862803979304, -0.955963392172821, -0.203378107778147 ] - [ 0.322117412824072, -0.200149274393326, -1.061058870000000 ]- # 5 (F) - [ -1.093121452022114, -0.155018044860206, -0.336065297072541 ] - [ -0.146701923816885, -1.067083527977886, -0.175325952258705 ] - [ -0.334393061961625, -0.178887225606674, -1.061058870000000 ]- # 6 (F) - [ -0.942944430136516, 0.059997180000000, 0.016195920000000 ] - [ 0.068313300624170, -1.217260549863484, 0.378704060036852 ] - [ 0.012275649137553, 0.379036500000000, -1.061058870000000 ]- # 7 (F) - [ -0.942944430136516, 0.059997180000000, 0.016195920000000 ] - [ 0.068313300624170, -1.217260549863484, 0.378704060036852 ] - [ 0.012275649137553, 0.379036500000000, -1.061058870000000 ]- # 8 (F) - [ -1.093121452374837, 0.155018044860206, -0.336065297072541 ] - [ 0.146701923757639, -1.067083527625163, 0.175325951494033 ] - [ -0.334393062368659, 0.178887225606674, -1.061058870000000 ]- # 9 (F) - [ -1.204241587639355, -0.082546684029475, 0.319869377072541 ] - [ -0.090862804544228, -0.955963392360645, 0.203378108505967 ] - [ 0.322117412368659, 0.200149274393326, -1.061058870000000 ]- # 10 (F) - [ -1.093121452022114, -0.155018044860206, -0.336065297072541 ] - [ -0.146701923816885, -1.067083527977886, -0.175325952258705 ] - [ -0.334393061961625, -0.178887225606674, -1.061058870000000 ]- # 11 (F) - [ -1.093121452374837, 0.155018044860206, -0.336065297072541 ] - [ 0.146701923757639, -1.067083527625163, 0.175325951494033 ] - [ -0.334393062368659, 0.178887225606674, -1.061058870000000 ]- # 12 (F) - [ -1.204241587827179, 0.082546684029475, 0.319869377072541 ] - [ 0.090862803979304, -0.955963392172821, -0.203378107778147 ] - [ 0.322117412824072, -0.200149274393326, -1.061058870000000 ]- # 13 (F) - [ -0.942944430000000, -0.059997180000000, 0.016195920000000 ] - [ -0.068313300000000, -1.217260550000000, -0.378704060000000 ] - [ 0.012275650000000, -0.379036500000000, -1.061058870000000 ]- # 14 (F) - [ -1.204241587639355, -0.082546684029475, 0.319869377072541 ] - [ -0.090862804544228, -0.955963392360645, 0.203378108505967 ] - [ 0.322117412368659, 0.200149274393326, -1.061058870000000 ]- # 15 (Ca) - [ 2.365091980000000, 0.124244790000000, 0.000000000000000 ] - [ -0.124244790000000, 2.365091980000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.598800870000000 ]- # 16 (Ca) - [ 2.365091980261052, -0.124244790452156, 0.000000000000000 ] - [ 0.124244789547844, 2.365091979738948, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.598800870000000 ]- # 17 (Ga) - [ 2.984835060000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.984835060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.854918620000000 ]- # 18 (Ga) - [ 2.984835060000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.984835060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.854918620000000 ]dielectric_constant: - [ 2.194876230000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.194876220000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.184051020000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0412554300000000, 0.0001945900000000, 0.0000053900000000 ] - [ 0.0025265500000000, -0.0000000900000000, -0.0001018800000000 ] - [ 0.0003205100000000, -0.0012755700000000, 0.0000493400000000 ] - [ 0.0003150900000000, 0.0012716300000000, 0.0000491900000000 ] - [ -0.0000190500000000, 0.0000003700000000, 0.0000015600000000 ] - [ 0.0000209700000000, -0.0000004500000000, -0.0000016500000000 ] - [ 0.0000004500000000, -0.0000123100000000, 0.0000026000000000 ] - [ -0.0000011900000000, 0.0000121500000000, 0.0000026500000000 ] - [ -0.0000137600000000, -0.0001703800000000, -0.0003211900000000 ] - [ 0.0000988300000000, 0.0001031500000000, 0.0002915100000000 ] - [ -0.0001942600000000, 0.0000674200000000, 0.0000270600000000 ] - [ 0.0001789000000000, -0.0000009300000000, -0.0000010500000000 ] - [ 0.0000985000000000, -0.0001031000000000, 0.0002937500000000 ] - [ -0.0000133800000000, 0.0001700100000000, -0.0003181900000000 ] - [ -0.0001938400000000, -0.0000664300000000, 0.0000289700000000 ] - [ 0.0001784500000000, 0.0000002200000000, 0.0000021800000000 ] - [ -0.0026423500000000, -0.0000680400000000, -0.0015558600000000 ] - [ 0.0029390600000000, -0.0002790700000000, -0.0011372500000000 ] - [ -0.0000424600000000, -0.0008058800000000, -0.0003373200000000 ] - [ 0.0001414800000000, 0.0010033600000000, -0.0000277200000000 ] - [ 0.0000066300000000, 0.0003077600000000, -0.0001754800000000 ] - [ 0.0000151600000000, 0.0002859400000000, -0.0002155000000000 ] - [ 0.0000126800000000, 0.0002921900000000, -0.0001979700000000 ] - [ 0.0000087600000000, 0.0002981600000000, -0.0002055700000000 ] - [ 0.0002797700000000, 0.0000789200000000, -0.0011660800000000 ] - [ -0.0010518200000000, 0.0003133300000000, 0.0006565000000000 ] - [ -0.0001221200000000, 0.0000906800000000, -0.0003415500000000 ] - [ -0.0002557100000000, 0.0000343100000000, -0.0001799300000000 ] - [ -0.0002039900000000, 0.0001566600000000, -0.0000553500000000 ] - [ -0.0003441700000000, 0.0001293500000000, -0.0002947000000000 ] - [ -0.0002829400000000, 0.0002318800000000, -0.0001781100000000 ] - [ -0.0002359700000000, 0.0000627900000000, -0.0002394300000000 ] - [ 0.0010916300000000, 0.0000992200000000, 0.0003723300000000 ] - [ -0.0003764400000000, 0.0000724300000000, -0.0005876900000000 ] - [ 0.0001799300000000, 0.0004816400000000, 0.0000143300000000 ] - [ 0.0001766800000000, -0.0002452400000000, -0.0005724600000000 ] - [ 0.0003986400000000, 0.0001086600000000, -0.0002393900000000 ] - [ 0.0001298700000000, 0.0002153400000000, -0.0001350500000000 ] - [ 0.0001937900000000, 0.0002014700000000, -0.0002754700000000 ] - [ 0.0002821800000000, 0.0000832400000000, -0.0001548100000000 ] - [ 0.0007046000000000, -0.0001086700000000, 0.0002230900000000 ] - [ -0.0004035100000000, -0.0002594400000000, -0.0004048100000000 ] - [ 0.0000705100000000, 0.0002118600000000, -0.0006544100000000 ] - [ -0.0002127600000000, -0.0010291300000000, 0.0003603100000000 ] - [ 0.0001645000000000, -0.0002319700000000, -0.0002992900000000 ] - [ -0.0001118700000000, -0.0003868300000000, -0.0000801200000000 ] - [ 0.0000456000000000, -0.0002408300000000, -0.0001429600000000 ] - [ -0.0000269300000000, -0.0003106200000000, -0.0002786700000000 ] - [ 0.0034193100000000, 0.0008383500000000, -0.0010644600000000 ] - [ -0.0026546800000000, 0.0006691200000000, -0.0011551500000000 ] - [ -0.0000603400000000, 0.0014072100000000, 0.0000549600000000 ] - [ 0.0001169700000000, -0.0004139900000000, 0.0003656600000000 ] - [ 0.0000012000000000, 0.0003033000000000, 0.0001785100000000 ] - [ -0.0000140800000000, 0.0002848500000000, 0.0002127400000000 ] - [ -0.0000079200000000, 0.0003020700000000, 0.0001947400000000 ] - [ -0.0000151500000000, 0.0002986300000000, 0.0001845900000000 ] - [ -0.0010126000000000, 0.0011483900000000, -0.0008179200000000 ] - [ 0.0008286800000000, -0.0027879900000000, 0.0010052800000000 ] - [ 0.0056993600000000, -0.0012468300000000, 0.0015302700000000 ] - [ -0.0012116100000000, 0.0005464100000000, -0.0005589700000000 ] - [ 0.0002483800000000, -0.0001447300000000, -0.0001985400000000 ] - [ 0.0002541700000000, -0.0001587200000000, -0.0002052800000000 ] - [ 0.0002769300000000, -0.0001661200000000, -0.0001831500000000 ] - [ 0.0002317200000000, -0.0001581600000000, -0.0002027600000000 ] - [ 0.0045719400000000, 0.0009169700000000, -0.0007592300000000 ] - [ -0.0030177100000000, -0.0010930700000000, 0.0005758200000000 ] - [ 0.0006573800000000, 0.0011520100000000, -0.0000302400000000 ] - [ -0.0009288300000000, -0.0008171500000000, 0.0000052900000000 ] - [ -0.0002435100000000, -0.0001333100000000, -0.0002004300000000 ] - [ -0.0002719300000000, -0.0001458700000000, -0.0002025400000000 ] - [ -0.0002460800000000, -0.0001268700000000, -0.0002166000000000 ] - [ -0.0002766300000000, -0.0001536300000000, -0.0001856400000000 ] - [ 0.0003314600000000, 0.0024757800000000, 0.0013944200000000 ] - [ -0.0015262900000000, -0.0014686300000000, -0.0004284800000000 ] - [ 0.0051585800000000, 0.0010007200000000, 0.0018765200000000 ] - [ -0.0017191900000000, -0.0008672700000000, -0.0001675300000000 ] - [ -0.0002481900000000, -0.0001508000000000, 0.0001843700000000 ] - [ -0.0002590000000000, -0.0001647300000000, 0.0001918800000000 ] - [ -0.0002277100000000, -0.0001509900000000, 0.0002043700000000 ] - [ -0.0002755900000000, -0.0001622400000000, 0.0001818900000000 ] - [ -0.0001062000000000, 0.0002042500000000, 0.0001563300000000 ] - [ -0.0003739800000000, 0.0001014200000000, 0.0002543900000000 ] - [ -0.0002186500000000, 0.0002311700000000, 0.0002376300000000 ] - [ -0.0003152400000000, 0.0001140100000000, 0.0001140700000000 ] - [ 0.0005837700000000, 0.0002142700000000, 0.0007584800000000 ] - [ -0.0008831600000000, 0.0002470100000000, -0.0002093900000000 ] - [ -0.0003269300000000, 0.0005571700000000, -0.0001905900000000 ] - [ -0.0003294200000000, -0.0001691800000000, 0.0003968100000000 ] - [ -0.0024919900000000, 0.0008157400000000, 0.0009713900000000 ] - [ 0.0050104700000000, -0.0012997900000000, -0.0004391800000000 ] - [ 0.0011944000000000, -0.0014333000000000, 0.0003540600000000 ] - [ -0.0004026600000000, 0.0005343100000000, 0.0003988800000000 ] - [ 0.0002460800000000, -0.0001404900000000, 0.0001889600000000 ] - [ 0.0002723700000000, -0.0001514000000000, 0.0001951100000000 ] - [ 0.0002792100000000, -0.0001500900000000, 0.0001731800000000 ] - [ 0.0002524400000000, -0.0001261600000000, 0.0002039900000000 ] - [ 0.0001402200000000, -0.0003612800000000, 0.0000935400000000 ] - [ -0.0001267600000000, -0.0002031600000000, 0.0003196600000000 ] - [ -0.0000438200000000, -0.0002801100000000, 0.0001187900000000 ] - [ 0.0000227100000000, -0.0003516300000000, 0.0002501300000000 ] - [ 0.0006848000000000, -0.0004830600000000, 0.0006112700000000 ] - [ -0.0004217700000000, -0.0003344500000000, -0.0000172100000000 ] - [ -0.0002245800000000, 0.0004358100000000, 0.0007448000000000 ] - [ 0.0000496500000000, -0.0008039500000000, -0.0002687300000000 ] - [ 0.0003260100000000, 0.0001224000000000, 0.0003353800000000 ] - [ 0.0001701200000000, 0.0001519300000000, 0.0001045600000000 ] - [ 0.0002864200000000, 0.0002189100000000, 0.0001567900000000 ] - [ 0.0002427000000000, 0.0000471400000000, 0.0002134700000000 ] - [ 0.0008102900000000, 0.0002035800000000, -0.0007831000000000 ] - [ -0.0005260300000000, -0.0000329400000000, 0.0010381400000000 ] - [ 0.0002712200000000, 0.0002491500000000, 0.0002018400000000 ] - [ 0.0003942100000000, 0.0001921900000000, 0.0000466900000000 ] - [ -0.0000559900000000, 0.0000075200000000, 0.0000215100000000 ] - [ 0.0000576300000000, -0.0000304200000000, 0.0000022400000000 ] - [ 0.0000048400000000, -0.0000221400000000, 0.0001102400000000 ] - [ -0.0000010200000000, 0.0000441700000000, -0.0001219300000000 ] - [ -0.0031078300000000, -0.0009064100000000, 0.0007162400000000 ] - [ 0.0013761400000000, 0.0004178300000000, 0.0000021500000000 ] - [ 0.0020614900000000, -0.0037917000000000, -0.0040259900000000 ] - [ 0.0019697500000000, 0.0021312100000000, 0.0033249800000000 ] - [ -0.0031131700000000, 0.0009205500000000, 0.0007122400000000 ] - [ 0.0013748700000000, -0.0004226700000000, -0.0000131800000000 ] - [ 0.0019798700000000, -0.0021178500000000, 0.0032961100000000 ] - [ 0.0020635200000000, 0.0038025800000000, -0.0040576600000000 ] - [ -0.0000560000000000, -0.0000076800000000, 0.0000254900000000 ] - [ 0.0000580000000000, 0.0000305600000000, 0.0000083000000000 ] - [ -0.0000033000000000, -0.0000459700000000, -0.0001161600000000 ] - [ 0.0000043100000000, 0.0000227400000000, 0.0001166200000000 ] - [ 0.0134699900000000, -0.0119224300000000, 0.0015638600000000 ] - [ 0.0133807300000000, 0.0117914600000000, 0.0015508400000000 ] - [ -0.0071120900000000, -0.0000394600000000, -0.0031315600000000 ] - [ 0.0015583000000000, 0.0000069500000000, -0.0000056200000000 ] - [ -0.0000028900000000, -0.0000208600000000, 0.0000079200000000 ] - [ 0.0000017500000000, 0.0000231400000000, 0.0000079500000000 ] - [ -0.0000403100000000, -0.0000007000000000, 0.0000107600000000 ] - [ 0.0000363900000000, 0.0000011900000000, 0.0000073700000000 ] - [ -0.0013188700000000, -0.0000653300000000, -0.0000048400000000 ] - [ 0.0010648300000000, 0.0000519100000000, -0.0001272000000000 ] - [ -0.0000030900000000, -0.0005601300000000, 0.0000937600000000 ] - [ 0.0000051200000000, 0.0006682000000000, 0.0000113600000000 ] - [ -0.0013190400000000, 0.0000617400000000, 0.0000016100000000 ] - [ 0.0010636500000000, -0.0000523100000000, -0.0001128200000000 ] - [ 0.0000001500000000, -0.0006692800000000, 0.0000215900000000 ] - [ 0.0000016600000000, 0.0005577200000000, 0.0001054300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0250813200000000 ] - [ -0.0001014400000000, -0.0000016700000000, -0.0012678400000000 ] - [ 0.0000521700000000, -0.0000870100000000, -0.0012678400000000 ] - [ 0.0000492700000000, 0.0000886900000000, -0.0012678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004231600000000 ] - [ -0.0000037000000000, -0.0000014600000000, 0.0003900100000000 ] - [ 0.0000031100000000, -0.0000024700000000, 0.0003900100000000 ] - [ 0.0000005800000000, 0.0000039300000000, 0.0003900100000000 ] - [ -0.0003184100000000, 0.0001518400000000, 0.0004438000000000 ] - [ 0.0002907000000000, 0.0001998300000000, 0.0004438000000000 ] - [ 0.0000277100000000, -0.0003516700000000, 0.0004438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002314500000000 ] - [ 0.0002932800000000, -0.0002017900000000, 0.0004431700000000 ] - [ -0.0003214000000000, -0.0001531000000000, 0.0004431700000000 ] - [ 0.0000281100000000, 0.0003548900000000, 0.0004431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002304500000000 ] - [ -0.0007774800000000, 0.0006118700000000, 0.0017759300000000 ] - [ 0.0003101600000000, 0.0021944600000000, 0.0069991900000000 ] - [ -0.0000895700000000, -0.0005946100000000, 0.0006395600000000 ] - [ 0.0000088900000000, 0.0010420400000000, 0.0009219100000000 ] - [ 0.0000297800000000, 0.0001363000000000, -0.0006596100000000 ] - [ 0.0000056500000000, 0.0001321600000000, -0.0006838700000000 ] - [ 0.0000161900000000, 0.0001604000000000, -0.0006340400000000 ] - [ 0.0000206300000000, 0.0001296200000000, -0.0006538400000000 ] - [ -0.0006054100000000, 0.0000963200000000, -0.0012770000000000 ] - [ 0.0001992800000000, 0.0000443800000000, -0.0005935100000000 ] - [ -0.0000990300000000, -0.0001126500000000, -0.0004537300000000 ] - [ -0.0002724000000000, 0.0002733500000000, -0.0002494800000000 ] - [ 0.0000720500000000, 0.0000262400000000, -0.0008928700000000 ] - [ -0.0002972900000000, 0.0000732900000000, -0.0005745100000000 ] - [ -0.0001473100000000, 0.0001074800000000, -0.0005774400000000 ] - [ -0.0001426500000000, 0.0000049600000000, -0.0005808300000000 ] - [ 0.0003861200000000, 0.0004761400000000, -0.0012770000000000 ] - [ -0.0000480400000000, 0.0001420900000000, -0.0004537300000000 ] - [ 0.0003729200000000, 0.0000992300000000, -0.0002494800000000 ] - [ -0.0000612100000000, -0.0001947700000000, -0.0005935100000000 ] - [ -0.0000133000000000, -0.0000755200000000, -0.0008928700000000 ] - [ 0.0001667300000000, 0.0000738400000000, -0.0005774400000000 ] - [ 0.0000756200000000, 0.0001210600000000, -0.0005808300000000 ] - [ 0.0002121200000000, 0.0002208100000000, -0.0005745100000000 ] - [ 0.0002192900000000, -0.0005724600000000, -0.0012770000000000 ] - [ -0.0001005300000000, -0.0003725700000000, -0.0002494800000000 ] - [ -0.0001380700000000, 0.0001503900000000, -0.0005935100000000 ] - [ 0.0001470700000000, -0.0000294400000000, -0.0004537300000000 ] - [ -0.0000587500000000, 0.0000492800000000, -0.0008928700000000 ] - [ 0.0000670300000000, -0.0001260200000000, -0.0005808300000000 ] - [ 0.0000851700000000, -0.0002941000000000, -0.0005745100000000 ] - [ -0.0000194200000000, -0.0001813100000000, -0.0005774400000000 ] - [ 0.0004841200000000, -0.0015987400000000, 0.0072640000000000 ] - [ -0.0007999400000000, -0.0000088500000000, 0.0021596700000000 ] - [ -0.0001096000000000, 0.0012057500000000, 0.0010262600000000 ] - [ -0.0000182700000000, -0.0004285000000000, 0.0013056600000000 ] - [ -0.0000210000000000, 0.0004802500000000, -0.0003043100000000 ] - [ -0.0000002700000000, 0.0004703400000000, -0.0002730500000000 ] - [ -0.0000066600000000, 0.0004549300000000, -0.0002542700000000 ] - [ -0.0000037400000000, 0.0004750100000000, -0.0002641600000000 ] - [ -0.0004701700000000, 0.0003748700000000, 0.0006395600000000 ] - [ 0.0009186300000000, 0.0003673800000000, 0.0017759300000000 ] - [ 0.0017453800000000, -0.0013658300000000, 0.0069991900000000 ] - [ 0.0008979900000000, -0.0005287200000000, 0.0009219100000000 ] - [ 0.0001308100000000, -0.0000942200000000, -0.0006340400000000 ] - [ 0.0001031500000000, -0.0000939400000000, -0.0006596100000000 ] - [ 0.0001116300000000, -0.0000709700000000, -0.0006838700000000 ] - [ 0.0001019400000000, -0.0000826700000000, -0.0006538400000000 ] - [ -0.0020555400000000, -0.0008286200000000, 0.0069991900000000 ] - [ 0.0005597300000000, 0.0002197400000000, 0.0006395600000000 ] - [ -0.0001411500000000, -0.0009792500000000, 0.0017759300000000 ] - [ -0.0009068800000000, -0.0005133200000000, 0.0009219100000000 ] - [ -0.0001172700000000, -0.0000611900000000, -0.0006838700000000 ] - [ -0.0001470000000000, -0.0000661800000000, -0.0006340400000000 ] - [ -0.0001329300000000, -0.0000423600000000, -0.0006596100000000 ] - [ -0.0001225700000000, -0.0000469400000000, -0.0006538400000000 ] - [ 0.0004076400000000, -0.0006883500000000, 0.0021596700000000 ] - [ -0.0009894100000000, -0.0006977900000000, 0.0010262600000000 ] - [ 0.0011424900000000, 0.0012186300000000, 0.0072640000000000 ] - [ 0.0003802300000000, 0.0001984300000000, 0.0013056600000000 ] - [ -0.0004071900000000, -0.0002354100000000, -0.0002730500000000 ] - [ -0.0003906500000000, -0.0002332400000000, -0.0002542700000000 ] - [ -0.0004054100000000, -0.0002583200000000, -0.0003043100000000 ] - [ -0.0004095100000000, -0.0002407400000000, -0.0002641600000000 ] - [ -0.0005220700000000, 0.0003981600000000, -0.0005061100000000 ] - [ -0.0003463800000000, 0.0002511200000000, -0.0001944300000000 ] - [ -0.0003038700000000, 0.0001064500000000, -0.0001978800000000 ] - [ -0.0004394600000000, 0.0002061000000000, -0.0001989300000000 ] - [ -0.0001231500000000, -0.0001561800000000, -0.0009084200000000 ] - [ -0.0005640200000000, 0.0001786600000000, -0.0000767700000000 ] - [ -0.0005718100000000, 0.0005242700000000, -0.0002159000000000 ] - [ -0.0001416200000000, 0.0002277400000000, 0.0001253500000000 ] - [ 0.0010990100000000, -0.0005079600000000, 0.0010262600000000 ] - [ -0.0016266100000000, 0.0003801100000000, 0.0072640000000000 ] - [ 0.0003923100000000, 0.0006972000000000, 0.0021596700000000 ] - [ -0.0003619600000000, 0.0002300800000000, 0.0013056600000000 ] - [ 0.0003973100000000, -0.0002216900000000, -0.0002542700000000 ] - [ 0.0004264100000000, -0.0002219400000000, -0.0003043100000000 ] - [ 0.0004074600000000, -0.0002349300000000, -0.0002730500000000 ] - [ 0.0004132400000000, -0.0002342700000000, -0.0002641600000000 ] - [ -0.0000837800000000, -0.0006512000000000, -0.0005061100000000 ] - [ 0.0000412400000000, -0.0004836300000000, -0.0001989300000000 ] - [ -0.0000442800000000, -0.0004255300000000, -0.0001944300000000 ] - [ 0.0000597400000000, -0.0003163900000000, -0.0001978800000000 ] - [ 0.0001968300000000, -0.0000285600000000, -0.0009084200000000 ] - [ -0.0001264200000000, -0.0002365200000000, 0.0001253500000000 ] - [ 0.0001272800000000, -0.0005777900000000, -0.0000767700000000 ] - [ -0.0001681300000000, -0.0007573400000000, -0.0002159000000000 ] - [ 0.0006058500000000, 0.0002530500000000, -0.0005061100000000 ] - [ 0.0002441300000000, 0.0002099300000000, -0.0001978800000000 ] - [ 0.0003982100000000, 0.0002775300000000, -0.0001989300000000 ] - [ 0.0003906600000000, 0.0001744200000000, -0.0001944300000000 ] - [ -0.0000736800000000, 0.0001847400000000, -0.0009084200000000 ] - [ 0.0007399400000000, 0.0002330700000000, -0.0002159000000000 ] - [ 0.0002680400000000, 0.0000087800000000, 0.0001253500000000 ] - [ 0.0004367400000000, 0.0003991200000000, -0.0000767700000000 ] - [ -0.0000208400000000, 0.0001428300000000, 0.0011751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010232800000000 ] - [ 0.0001341100000000, -0.0000533700000000, 0.0011751600000000 ] - [ -0.0001132800000000, -0.0000894600000000, 0.0011751600000000 ] - [ -0.0006043600000000, -0.0038209900000000, 0.0009288400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006180400000000 ] - [ -0.0030069000000000, 0.0024338800000000, 0.0009288400000000 ] - [ 0.0036112500000000, 0.0013871100000000, 0.0009288400000000 ] - [ -0.0006090800000000, 0.0038027300000000, 0.0009350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006155100000000 ] - [ 0.0035978000000000, -0.0013738800000000, 0.0009350400000000 ] - [ -0.0029887200000000, -0.0024288400000000, 0.0009350400000000 ] - [ -0.0000228000000000, -0.0001443800000000, 0.0011742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010232700000000 ] - [ -0.0001136400000000, 0.0000919400000000, 0.0011742900000000 ] - [ 0.0001364400000000, 0.0000524500000000, 0.0011742900000000 ] - [ 0.0015649600000000, 0.0027739400000000, -0.0114904600000000 ] - [ 0.0016198200000000, -0.0027422700000000, -0.0114904600000000 ] - [ -0.0031847800000000, -0.0000316700000000, -0.0114904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032591400000000 ] - [ 0.0000006200000000, -0.0000002800000000, 0.0012577700000000 ] - [ -0.0000005500000000, -0.0000004000000000, 0.0012577700000000 ] - [ -0.0000000700000000, 0.0000006800000000, 0.0012577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012218200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027884400000000 ] - [ -0.0001211600000000, 0.0000752700000000, 0.0008150900000000 ] - [ -0.0000046100000000, -0.0001425600000000, 0.0008150900000000 ] - [ 0.0001257700000000, 0.0000672900000000, 0.0008150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028010100000000 ] - [ -0.0001222500000000, -0.0000744200000000, 0.0008129400000000 ] - [ 0.0001255700000000, -0.0000686600000000, 0.0008129400000000 ] - [ -0.0000033300000000, 0.0001430800000000, 0.0008129400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026443600000000, 0.0007660400000000, -0.0007829900000000 ] - [ 0.0034273700000000, -0.0001541500000000, 0.0002313100000000 ] - [ -0.0000543000000000, -0.0006060300000000, -0.0001039600000000 ] - [ 0.0001313400000000, 0.0002172400000000, -0.0000025900000000 ] - [ -0.0000068300000000, 0.0000030100000000, 0.0000158800000000 ] - [ 0.0000082300000000, -0.0000028400000000, -0.0000086300000000 ] - [ 0.0000046300000000, -0.0000082100000000, 0.0000058600000000 ] - [ -0.0000034000000000, 0.0000059500000000, 0.0000105900000000 ] - [ 0.0001552100000000, -0.0000391800000000, -0.0000731400000000 ] - [ -0.0001219500000000, 0.0000085300000000, 0.0000507200000000 ] - [ -0.0000393900000000, 0.0001043300000000, -0.0000352700000000 ] - [ 0.0000319300000000, -0.0000788600000000, 0.0000686000000000 ] - [ 0.0006904500000000, -0.0001468600000000, 0.0002114100000000 ] - [ -0.0004137800000000, 0.0001339000000000, -0.0001137700000000 ] - [ -0.0002188700000000, 0.0001526400000000, 0.0001428500000000 ] - [ 0.0000637600000000, -0.0003199400000000, -0.0001510000000000 ] - [ -0.0575945700000000, -0.0189103600000000, -0.0089186100000000 ] - [ 0.0018142500000000, 0.0004780400000000, -0.0001092500000000 ] - [ -0.0000793100000000, -0.0007003800000000, -0.0004343700000000 ] - [ 0.0001775700000000, 0.0017669900000000, 0.0002222100000000 ] - [ 0.0000024100000000, 0.0003046800000000, -0.0001887900000000 ] - [ 0.0000252000000000, 0.0002887200000000, -0.0002020300000000 ] - [ 0.0000108200000000, 0.0002779700000000, -0.0002119500000000 ] - [ 0.0000018700000000, 0.0002932800000000, -0.0002068700000000 ] - [ 0.0000156800000000, 0.0000902800000000, -0.0002463700000000 ] - [ -0.0006314000000000, 0.0002036500000000, -0.0001604700000000 ] - [ -0.0002916500000000, 0.0002771100000000, -0.0001574700000000 ] - [ -0.0001659600000000, -0.0000332000000000, -0.0003131500000000 ] - [ 0.0000262400000000, 0.0001072800000000, -0.0003198600000000 ] - [ -0.0006666300000000, 0.0002288100000000, 0.0000807700000000 ] - [ -0.0002853200000000, 0.0002515100000000, -0.0002096100000000 ] - [ -0.0001819700000000, -0.0000316000000000, -0.0003276300000000 ] - [ 0.0003238700000000, 0.0000482900000000, 0.0000883700000000 ] - [ 0.0002456600000000, 0.0001509100000000, -0.0004514100000000 ] - [ 0.0000529900000000, 0.0001227000000000, -0.0002835700000000 ] - [ 0.0003911600000000, 0.0001768500000000, -0.0001667500000000 ] - [ 0.0002540200000000, 0.0000024700000000, -0.0004963200000000 ] - [ 0.0003536500000000, 0.0002972700000000, 0.0000632900000000 ] - [ 0.0000913600000000, 0.0000723600000000, -0.0002228700000000 ] - [ 0.0003431900000000, 0.0001550200000000, -0.0001937200000000 ] - [ 0.0001146200000000, -0.0002352300000000, 0.0001892400000000 ] - [ 0.0000257300000000, -0.0002573600000000, -0.0004564500000000 ] - [ 0.0000918300000000, -0.0002488900000000, -0.0002612400000000 ] - [ -0.0001393600000000, -0.0004104600000000, -0.0001337700000000 ] - [ 0.0000177300000000, -0.0000642200000000, -0.0005539700000000 ] - [ 0.0001194400000000, -0.0004740800000000, 0.0001303400000000 ] - [ 0.0000983900000000, -0.0003392000000000, -0.0001665900000000 ] - [ -0.0001319500000000, -0.0001854000000000, -0.0002979000000000 ] - [ 0.0036277900000000, -0.0014449000000000, 0.0096563400000000 ] - [ 0.0016306000000000, 0.0003082800000000, -0.0008572300000000 ] - [ -0.0000256500000000, -0.0000283700000000, 0.0003776900000000 ] - [ -0.0000393300000000, 0.0009394600000000, 0.0000335900000000 ] - [ -0.0000387200000000, 0.0003156900000000, 0.0001585800000000 ] - [ 0.0000183800000000, 0.0002833900000000, 0.0002236300000000 ] - [ -0.0000076600000000, 0.0002719500000000, 0.0002028400000000 ] - [ 0.0000002200000000, 0.0003098800000000, 0.0001791000000000 ] - [ -0.0034970800000000, 0.0013351700000000, -0.0011003100000000 ] - [ 0.0016461200000000, -0.0004888700000000, 0.0001868700000000 ] - [ 0.0026104100000000, -0.0029197000000000, 0.0003851800000000 ] - [ 0.0041290000000000, 0.0042665500000000, -0.0003383100000000 ] - [ 0.0002439500000000, -0.0001648700000000, -0.0001953200000000 ] - [ 0.0002583700000000, -0.0001488000000000, -0.0002038800000000 ] - [ 0.0002486200000000, -0.0001638100000000, -0.0001983000000000 ] - [ 0.0002462100000000, -0.0001413700000000, -0.0002079600000000 ] - [ 0.0122516400000000, 0.0077812900000000, -0.0015825100000000 ] - [ 0.0058335600000000, -0.0032879400000000, -0.0009810400000000 ] - [ 0.0005866800000000, -0.0001322000000000, -0.0004067700000000 ] - [ -0.0017468400000000, 0.0004255400000000, 0.0004525000000000 ] - [ -0.0002700600000000, -0.0001344700000000, -0.0001957800000000 ] - [ -0.0002519800000000, -0.0001415500000000, -0.0002061500000000 ] - [ -0.0002526100000000, -0.0001362900000000, -0.0002045000000000 ] - [ -0.0002583500000000, -0.0001355200000000, -0.0002098200000000 ] - [ -0.0006521700000000, 0.0010238200000000, 0.0010443800000000 ] - [ 0.0000784400000000, -0.0007591400000000, -0.0002580100000000 ] - [ 0.0006223100000000, -0.0004291000000000, 0.0006585000000000 ] - [ -0.0009060400000000, 0.0023077000000000, -0.0025987400000000 ] - [ -0.0002809400000000, -0.0001655800000000, 0.0001591900000000 ] - [ -0.0002306600000000, -0.0001685400000000, 0.0002047800000000 ] - [ -0.0002243200000000, -0.0001667400000000, 0.0001781800000000 ] - [ -0.0002706500000000, -0.0001362500000000, 0.0002023400000000 ] - [ -0.0001859300000000, 0.0001281700000000, 0.0002546500000000 ] - [ -0.0003137800000000, 0.0001819900000000, 0.0001328500000000 ] - [ -0.0002830500000000, 0.0001948900000000, 0.0001983800000000 ] - [ -0.0002307700000000, 0.0001365900000000, 0.0001755300000000 ] - [ 0.0003851700000000, -0.0000509000000000, 0.0002486600000000 ] - [ -0.0010884300000000, 0.0009226500000000, 0.0009848000000000 ] - [ -0.0006623500000000, 0.0006039500000000, -0.0002929600000000 ] - [ 0.0000991200000000, -0.0002827600000000, 0.0005139000000000 ] - [ -0.0026272900000000, -0.0042585600000000, -0.0052975800000000 ] - [ 0.0016268800000000, 0.0000240300000000, 0.0003147500000000 ] - [ -0.0000450900000000, -0.0007030700000000, 0.0004551100000000 ] - [ 0.0008791500000000, 0.0004573000000000, -0.0002448700000000 ] - [ 0.0002408000000000, -0.0001452500000000, 0.0002117000000000 ] - [ 0.0002917500000000, -0.0001461400000000, 0.0001634800000000 ] - [ 0.0002597100000000, -0.0001479200000000, 0.0001716400000000 ] - [ 0.0002526900000000, -0.0001274500000000, 0.0002052800000000 ] - [ 0.0000536700000000, -0.0002658200000000, 0.0002525400000000 ] - [ -0.0000626800000000, -0.0003105400000000, 0.0001526100000000 ] - [ 0.0000094500000000, -0.0002655400000000, 0.0001837400000000 ] - [ -0.0000290000000000, -0.0003392000000000, 0.0001904000000000 ] - [ 0.0005134800000000, -0.0003350100000000, -0.0001672400000000 ] - [ -0.0003929100000000, -0.0007409900000000, 0.0019288900000000 ] - [ 0.0001078800000000, 0.0001112200000000, 0.0004531900000000 ] - [ 0.0003974200000000, -0.0014745400000000, -0.0007658100000000 ] - [ 0.0001910000000000, 0.0001157200000000, 0.0003005500000000 ] - [ 0.0003272400000000, 0.0001515600000000, 0.0001077100000000 ] - [ 0.0002612900000000, 0.0001293200000000, 0.0001819100000000 ] - [ 0.0002640600000000, 0.0001472700000000, 0.0001952700000000 ] - [ 0.0008507300000000, 0.0002104100000000, -0.0015097300000000 ] - [ 0.0006580500000000, 0.0001637500000000, 0.0008087400000000 ] - [ 0.0001206200000000, -0.0001154100000000, 0.0003506300000000 ] - [ 0.0003913600000000, 0.0004483600000000, -0.0000360900000000 ] - [ -0.0000054800000000, -0.0000361100000000, -0.0000211200000000 ] - [ 0.0000058200000000, 0.0000244400000000, 0.0000427800000000 ] - [ -0.0000602500000000, -0.0000110800000000, 0.0000307900000000 ] - [ 0.0000601000000000, 0.0000265000000000, -0.0000141200000000 ] - [ -0.0016356200000000, -0.0026927300000000, 0.0016446300000000 ] - [ 0.0002780000000000, 0.0038010200000000, -0.0013472500000000 ] - [ -0.0025835300000000, -0.0005909100000000, -0.0009618100000000 ] - [ 0.0091775400000000, -0.0076861300000000, -0.0067195400000000 ] - [ -0.0006577500000000, -0.0008608600000000, -0.0005540400000000 ] - [ 0.0000437900000000, 0.0009522700000000, 0.0007650000000000 ] - [ -0.0011215600000000, -0.0002813300000000, 0.0005319000000000 ] - [ 0.0023685900000000, 0.0014335000000000, -0.0008373600000000 ] - [ -0.0000416500000000, -0.0001089400000000, 0.0001560200000000 ] - [ 0.0000178500000000, 0.0001771600000000, -0.0001036500000000 ] - [ -0.0001944300000000, -0.0000113000000000, -0.0000600400000000 ] - [ 0.0002212200000000, -0.0000648500000000, 0.0001100600000000 ] - [ 0.0282083100000000, 0.0211842000000000, 0.0163226900000000 ] - [ -0.0050136700000000, 0.0008103300000000, 0.0013837200000000 ] - [ -0.0011341200000000, 0.0023418800000000, -0.0009697200000000 ] - [ 0.0002146000000000, -0.0049491000000000, 0.0009653100000000 ] - [ 0.0000623300000000, -0.0000088200000000, 0.0000227000000000 ] - [ -0.0000576900000000, 0.0000116400000000, 0.0000084600000000 ] - [ -0.0000203300000000, 0.0000259300000000, 0.0000366100000000 ] - [ 0.0000158900000000, -0.0000390300000000, 0.0000144000000000 ] - [ -0.0003158900000000, 0.0000530700000000, -0.0004404700000000 ] - [ 0.0002337800000000, -0.0000044200000000, 0.0003591900000000 ] - [ 0.0000579500000000, -0.0000510600000000, 0.0000383900000000 ] - [ -0.0000614200000000, 0.0000544700000000, 0.0000329900000000 ] - [ -0.0010977700000000, 0.0001684400000000, 0.0011412600000000 ] - [ -0.0000113700000000, -0.0003483900000000, -0.0019202300000000 ] - [ 0.0001931200000000, -0.0004343900000000, 0.0000910900000000 ] - [ 0.0000745100000000, 0.0006824100000000, 0.0003205500000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026450100000000, -0.0007713400000000, 0.0007918800000000 ] - [ -0.0029258000000000, 0.0002015600000000, -0.0005601200000000 ] - [ 0.0000477000000000, 0.0005937500000000, 0.0000993800000000 ] - [ -0.0001308900000000, -0.0002146500000000, 0.0000026300000000 ] - [ 0.0000067600000000, -0.0000007300000000, -0.0000161500000000 ] - [ -0.0000071000000000, 0.0000028300000000, 0.0000093600000000 ] - [ -0.0000020000000000, 0.0000044700000000, -0.0000063200000000 ] - [ 0.0000028300000000, -0.0000084400000000, -0.0000105200000000 ] - [ -0.0001540000000000, 0.0000416100000000, 0.0000687200000000 ] - [ 0.0001187600000000, -0.0000071800000000, -0.0000537400000000 ] - [ 0.0000382400000000, -0.0001047600000000, 0.0000320600000000 ] - [ -0.0000321400000000, 0.0000760700000000, -0.0000718600000000 ] - [ -0.0006946700000000, 0.0001445100000000, -0.0002050000000000 ] - [ 0.0004152100000000, -0.0001295600000000, 0.0001134600000000 ] - [ 0.0002151100000000, -0.0001540700000000, -0.0001381900000000 ] - [ -0.0000611200000000, 0.0003220000000000, 0.0001530300000000 ] - [ 0.0573041500000000, 0.0201255300000000, 0.0094426600000000 ] - [ -0.0017751300000000, 0.0001330600000000, -0.0002733600000000 ] - [ 0.0000914900000000, 0.0012840800000000, 0.0000369800000000 ] - [ -0.0001480000000000, -0.0011651300000000, -0.0006071000000000 ] - [ 0.0000298200000000, 0.0002955400000000, -0.0001951900000000 ] - [ -0.0000077300000000, 0.0003021400000000, -0.0001953900000000 ] - [ 0.0000032700000000, 0.0003133800000000, -0.0001824000000000 ] - [ 0.0000148500000000, 0.0002855400000000, -0.0001955500000000 ] - [ -0.0005371100000000, 0.0001962200000000, -0.0001356200000000 ] - [ 0.0000969600000000, 0.0000790700000000, -0.0002031200000000 ] - [ -0.0002289000000000, 0.0000016200000000, -0.0002221900000000 ] - [ -0.0003583700000000, 0.0003240100000000, -0.0000606500000000 ] - [ -0.0005407400000000, 0.0001823400000000, -0.0000829700000000 ] - [ 0.0001402800000000, 0.0000499800000000, -0.0004832900000000 ] - [ -0.0002447400000000, 0.0000282900000000, -0.0001843200000000 ] - [ -0.0003414700000000, 0.0003062900000000, -0.0000796700000000 ] - [ 0.0001748900000000, 0.0002707400000000, -0.0004676000000000 ] - [ 0.0002645100000000, 0.0001622000000000, 0.0000755200000000 ] - [ 0.0004540400000000, 0.0001889900000000, -0.0000973100000000 ] - [ 0.0001099600000000, 0.0001373100000000, -0.0002096900000000 ] - [ 0.0002425600000000, 0.0003114600000000, 0.0000903900000000 ] - [ 0.0001511000000000, 0.0000160300000000, -0.0004646200000000 ] - [ 0.0004165500000000, 0.0002486200000000, -0.0001717900000000 ] - [ 0.0001545000000000, 0.0001612600000000, -0.0002101000000000 ] - [ -0.0000970100000000, -0.0003557100000000, -0.0005691800000000 ] - [ -0.0000044800000000, -0.0003480500000000, 0.0000874100000000 ] - [ -0.0000729100000000, -0.0003427800000000, -0.0001240700000000 ] - [ 0.0001510600000000, -0.0001897600000000, -0.0002425800000000 ] - [ -0.0000033200000000, -0.0005210000000000, 0.0001466700000000 ] - [ -0.0000975400000000, -0.0001221800000000, -0.0005291200000000 ] - [ -0.0000735700000000, -0.0002645200000000, -0.0002280900000000 ] - [ 0.0001515300000000, -0.0004068300000000, -0.0001097500000000 ] - [ -0.0036585300000000, 0.0020437900000000, -0.0093412700000000 ] - [ -0.0016524600000000, 0.0003013700000000, 0.0012317800000000 ] - [ 0.0000056000000000, 0.0006223800000000, 0.0000270000000000 ] - [ 0.0000083900000000, -0.0003391100000000, 0.0003605100000000 ] - [ 0.0000181900000000, 0.0002879200000000, 0.0002183500000000 ] - [ -0.0000327700000000, 0.0003075200000000, 0.0001663600000000 ] - [ -0.0000091400000000, 0.0003212900000000, 0.0001805700000000 ] - [ -0.0000075900000000, 0.0002701000000000, 0.0002167600000000 ] - [ 0.0040021100000000, -0.0015682100000000, 0.0007027900000000 ] - [ -0.0011282800000000, 0.0001587700000000, -0.0005680900000000 ] - [ -0.0021297700000000, 0.0026419000000000, -0.0007812700000000 ] - [ -0.0035615100000000, -0.0045218100000000, -0.0000514600000000 ] - [ 0.0002724000000000, -0.0001567000000000, -0.0001856000000000 ] - [ 0.0002428000000000, -0.0001544800000000, -0.0001936500000000 ] - [ 0.0002550800000000, -0.0001510400000000, -0.0001914400000000 ] - [ 0.0002582900000000, -0.0001641200000000, -0.0001875800000000 ] - [ -0.0129804800000000, -0.0082123800000000, 0.0011936700000000 ] - [ -0.0062777300000000, 0.0029506000000000, 0.0005851400000000 ] - [ -0.0011028200000000, -0.0001395200000000, 0.0000080400000000 ] - [ 0.0011984800000000, -0.0007153000000000, -0.0008364100000000 ] - [ -0.0002583300000000, -0.0001465800000000, -0.0001948000000000 ] - [ -0.0002704500000000, -0.0001350700000000, -0.0001903400000000 ] - [ -0.0002751000000000, -0.0001399600000000, -0.0001868200000000 ] - [ -0.0002567800000000, -0.0001452000000000, -0.0001940400000000 ] - [ 0.0001665300000000, -0.0013290000000000, -0.0006376900000000 ] - [ -0.0005934600000000, 0.0004211700000000, 0.0006410600000000 ] - [ -0.0011179700000000, 0.0001209800000000, -0.0002548000000000 ] - [ 0.0003780800000000, -0.0026362300000000, 0.0029843400000000 ] - [ -0.0002242500000000, -0.0001625500000000, 0.0002144100000000 ] - [ -0.0002724100000000, -0.0001442800000000, 0.0001839900000000 ] - [ -0.0002825900000000, -0.0001458400000000, 0.0002006000000000 ] - [ -0.0002252400000000, -0.0001720200000000, 0.0001862400000000 ] - [ -0.0003222000000000, 0.0001835500000000, 0.0001446200000000 ] - [ -0.0001928200000000, 0.0001424100000000, 0.0002533400000000 ] - [ -0.0002149100000000, 0.0001073700000000, 0.0002050700000000 ] - [ -0.0002819600000000, 0.0001837100000000, 0.0002184600000000 ] - [ -0.0008880400000000, 0.0003562400000000, 0.0001386900000000 ] - [ 0.0005707200000000, -0.0005984800000000, -0.0006025800000000 ] - [ 0.0001528200000000, -0.0002814300000000, 0.0006629200000000 ] - [ -0.0006086300000000, 0.0005848300000000, -0.0001309800000000 ] - [ 0.0030759900000000, 0.0040013900000000, 0.0057431500000000 ] - [ -0.0010865900000000, -0.0003041900000000, 0.0000710000000000 ] - [ 0.0005612200000000, 0.0004193600000000, -0.0000494600000000 ] - [ -0.0003416200000000, -0.0007359300000000, 0.0006335200000000 ] - [ 0.0002928200000000, -0.0001409500000000, 0.0001629400000000 ] - [ 0.0002259300000000, -0.0001325500000000, 0.0002231100000000 ] - [ 0.0002614500000000, -0.0001351800000000, 0.0002102800000000 ] - [ 0.0002646200000000, -0.0001557100000000, 0.0001829400000000 ] - [ -0.0000776300000000, -0.0003175300000000, 0.0001512100000000 ] - [ 0.0000421800000000, -0.0002891700000000, 0.0002390500000000 ] - [ -0.0000196100000000, -0.0003235000000000, 0.0002203300000000 ] - [ 0.0000028300000000, -0.0002539300000000, 0.0002088000000000 ] - [ -0.0005308500000000, -0.0002511600000000, 0.0005540000000000 ] - [ 0.0003604300000000, 0.0001420800000000, -0.0015475800000000 ] - [ -0.0001277800000000, -0.0007112200000000, -0.0000738400000000 ] - [ -0.0004169900000000, 0.0008725500000000, 0.0011416300000000 ] - [ 0.0003351500000000, 0.0001591900000000, 0.0001019600000000 ] - [ 0.0002007400000000, 0.0001332800000000, 0.0002861000000000 ] - [ 0.0002581100000000, 0.0001475300000000, 0.0002229100000000 ] - [ 0.0002628400000000, 0.0001289500000000, 0.0002028900000000 ] - [ -0.0003262500000000, 0.0000787700000000, 0.0018957300000000 ] - [ -0.0001254200000000, 0.0001158500000000, -0.0004198900000000 ] - [ 0.0004126600000000, 0.0003951300000000, 0.0000260500000000 ] - [ 0.0001229200000000, -0.0001714300000000, 0.0004280600000000 ] - [ 0.0000063200000000, 0.0000385300000000, 0.0000134300000000 ] - [ -0.0000064400000000, -0.0000244700000000, -0.0000511400000000 ] - [ 0.0000591000000000, 0.0000096600000000, -0.0000353900000000 ] - [ -0.0000598500000000, -0.0000245400000000, 0.0000065500000000 ] - [ 0.0016294900000000, 0.0027016700000000, -0.0016447200000000 ] - [ -0.0002530900000000, -0.0037844200000000, 0.0013601100000000 ] - [ 0.0025703600000000, 0.0005811700000000, 0.0009639700000000 ] - [ -0.0091107700000000, 0.0078210500000000, 0.0068448600000000 ] - [ 0.0006483800000000, 0.0008627400000000, 0.0005328700000000 ] - [ -0.0000299300000000, -0.0009633000000000, -0.0007957800000000 ] - [ 0.0011175700000000, 0.0002775700000000, -0.0005476800000000 ] - [ -0.0023704300000000, -0.0014252100000000, 0.0008079400000000 ] - [ 0.0000410600000000, 0.0001071400000000, -0.0001408100000000 ] - [ -0.0000196400000000, -0.0001748100000000, 0.0001191900000000 ] - [ 0.0001919900000000, 0.0000080900000000, 0.0000719100000000 ] - [ -0.0002230700000000, 0.0000611600000000, -0.0000927700000000 ] - [ -0.0282898000000000, -0.0219377800000000, -0.0169312400000000 ] - [ 0.0049920400000000, -0.0008009000000000, -0.0013679000000000 ] - [ 0.0011327300000000, -0.0023513300000000, 0.0009717000000000 ] - [ -0.0001996600000000, 0.0049355700000000, -0.0009564200000000 ] - [ -0.0000657300000000, 0.0000085700000000, -0.0000177100000000 ] - [ 0.0000606900000000, -0.0000146000000000, -0.0000040600000000 ] - [ 0.0000193800000000, -0.0000303100000000, -0.0000328300000000 ] - [ -0.0000195400000000, 0.0000380400000000, -0.0000086300000000 ] - [ 0.0003210600000000, -0.0000586200000000, 0.0004204000000000 ] - [ -0.0002357600000000, 0.0000071900000000, -0.0003811900000000 ] - [ -0.0000634300000000, 0.0000503500000000, -0.0000551400000000 ] - [ 0.0000722100000000, -0.0000514000000000, -0.0000575600000000 ] - [ 0.0010946700000000, -0.0001779600000000, -0.0011247500000000 ] - [ 0.0000215900000000, 0.0003507500000000, 0.0019284300000000 ] - [ -0.0002004400000000, 0.0004343300000000, -0.0000730100000000 ] - [ -0.0000638900000000, -0.0006759700000000, -0.0002969700000000 ]- atom: 17 displacement: [ -0.0050000000007545, 0.0086602540374088, 0.0000000000000000 ] forces: - [ 0.0010000700000000, 0.0012583900000000, 0.0006659800000000 ] - [ -0.0020214700000000, 0.0050845800000000, 0.0014097400000000 ] - [ -0.0009282700000000, -0.0020062400000000, -0.0007226200000000 ] - [ 0.0005484100000000, -0.0013825200000000, 0.0006428700000000 ] - [ 0.0000121900000000, 0.0000121800000000, -0.0001542000000000 ] - [ -0.0000101500000000, 0.0000223600000000, -0.0001464000000000 ] - [ -0.0000034800000000, -0.0000100700000000, -0.0001324800000000 ] - [ 0.0000021900000000, -0.0000248000000000, -0.0001568000000000 ] - [ -0.0001291200000000, 0.0000956600000000, -0.0002677100000000 ] - [ 0.0001357800000000, 0.0000134600000000, -0.0001816900000000 ] - [ 0.0000310500000000, -0.0001204500000000, -0.0000909600000000 ] - [ -0.0000653400000000, -0.0000039700000000, -0.0000457900000000 ] - [ -0.0005113000000000, 0.0006742300000000, 0.0001304400000000 ] - [ 0.0001726100000000, 0.0000125200000000, 0.0001164000000000 ] - [ 0.0007467000000000, -0.0002986500000000, -0.0003092000000000 ] - [ -0.0004725300000000, -0.0003575600000000, -0.0003186700000000 ] - [ 0.0121588900000000, -0.0636496200000000, -0.0378818600000000 ] - [ -0.0007354700000000, -0.0005274200000000, -0.0006711300000000 ] - [ -0.0008002500000000, 0.0019772400000000, -0.0001329100000000 ] - [ 0.0012013500000000, 0.0012585700000000, -0.0002314600000000 ] - [ 0.0000225400000000, 0.0003389800000000, -0.0000271800000000 ] - [ -0.0000020500000000, 0.0003553300000000, -0.0000331200000000 ] - [ -0.0000084500000000, 0.0003825400000000, -0.0000123300000000 ] - [ 0.0000187000000000, 0.0003601800000000, -0.0000306800000000 ] - [ -0.0003780900000000, 0.0000843400000000, -0.0001097600000000 ] - [ -0.0001193400000000, -0.0002618100000000, 0.0000565000000000 ] - [ -0.0001460200000000, 0.0002678600000000, -0.0000956600000000 ] - [ -0.0006471400000000, 0.0005778300000000, 0.0002220000000000 ] - [ -0.0004574900000000, 0.0000965600000000, -0.0000752600000000 ] - [ -0.0000737800000000, -0.0002446900000000, -0.0000914300000000 ] - [ -0.0000911700000000, 0.0002524900000000, -0.0002282700000000 ] - [ -0.0006336800000000, 0.0005816000000000, 0.0002997400000000 ] - [ 0.0001307600000000, 0.0001029000000000, -0.0003307700000000 ] - [ 0.0002624700000000, -0.0000263500000000, -0.0002022300000000 ] - [ 0.0006059600000000, 0.0004785800000000, 0.0004368400000000 ] - [ 0.0002444800000000, 0.0002691500000000, -0.0000444300000000 ] - [ 0.0001327800000000, 0.0001784500000000, 0.0002491800000000 ] - [ 0.0006042300000000, 0.0001291100000000, 0.0001582300000000 ] - [ 0.0002653000000000, 0.0001574300000000, -0.0003743300000000 ] - [ 0.0002431000000000, 0.0003206000000000, -0.0001385700000000 ] - [ 0.0001101800000000, -0.0004601300000000, -0.0000806800000000 ] - [ -0.0001847300000000, -0.0006338600000000, 0.0004230300000000 ] - [ 0.0000038400000000, -0.0001691000000000, -0.0001163000000000 ] - [ -0.0000148300000000, -0.0001470200000000, -0.0003564200000000 ] - [ -0.0000315900000000, -0.0007224700000000, 0.0001779600000000 ] - [ -0.0000967100000000, -0.0003441400000000, -0.0003698000000000 ] - [ -0.0000649500000000, -0.0001333900000000, -0.0002431100000000 ] - [ 0.0001839200000000, -0.0002526000000000, 0.0002882400000000 ] - [ -0.0003002000000000, -0.0034336600000000, -0.0024646400000000 ] - [ -0.0008383300000000, -0.0004122900000000, 0.0006593300000000 ] - [ -0.0005504600000000, 0.0016771200000000, 0.0000551800000000 ] - [ 0.0002742900000000, 0.0011962500000000, -0.0005709500000000 ] - [ -0.0000049500000000, 0.0001801100000000, 0.0004075700000000 ] - [ -0.0000154600000000, 0.0002364600000000, 0.0003319200000000 ] - [ -0.0000306700000000, 0.0002830900000000, 0.0003189500000000 ] - [ 0.0000083200000000, 0.0002560800000000, 0.0003694200000000 ] - [ 0.0009279900000000, 0.0146029700000000, -0.0015651400000000 ] - [ -0.0004452300000000, 0.0007328900000000, -0.0006499600000000 ] - [ -0.0043494300000000, 0.0022171700000000, -0.0022927200000000 ] - [ 0.0019150700000000, -0.0007521600000000, -0.0004754500000000 ] - [ 0.0003198300000000, -0.0001873100000000, -0.0000211900000000 ] - [ 0.0003015000000000, -0.0001792400000000, -0.0000276400000000 ] - [ 0.0003009400000000, -0.0001829100000000, -0.0000242500000000 ] - [ 0.0003169000000000, -0.0001908700000000, -0.0000230100000000 ] - [ 0.0028354400000000, -0.0026841400000000, -0.0015054900000000 ] - [ -0.0057433800000000, 0.0011114000000000, 0.0002402000000000 ] - [ -0.0009523600000000, 0.0010669000000000, -0.0004024800000000 ] - [ 0.0019488200000000, 0.0039012000000000, -0.0020710400000000 ] - [ -0.0003077100000000, -0.0001839100000000, -0.0000271300000000 ] - [ -0.0003290100000000, -0.0001774500000000, -0.0000188200000000 ] - [ -0.0003168600000000, -0.0001594900000000, -0.0000307600000000 ] - [ -0.0003103700000000, -0.0001719200000000, -0.0000257900000000 ] - [ 0.0014464900000000, 0.0003564000000000, 0.0012841000000000 ] - [ -0.0009763300000000, 0.0004214700000000, 0.0002585600000000 ] - [ -0.0009721400000000, -0.0001886300000000, -0.0005380500000000 ] - [ 0.0013580700000000, 0.0000142100000000, -0.0022455000000000 ] - [ -0.0001856500000000, -0.0001521300000000, 0.0003296000000000 ] - [ -0.0002329800000000, -0.0001174900000000, 0.0003281900000000 ] - [ -0.0002297500000000, -0.0001164200000000, 0.0003666000000000 ] - [ -0.0001490700000000, -0.0001291000000000, 0.0004101100000000 ] - [ -0.0002480300000000, 0.0001485700000000, 0.0002963500000000 ] - [ -0.0001986700000000, 0.0000615500000000, 0.0003586800000000 ] - [ -0.0001123500000000, 0.0001249000000000, 0.0004374300000000 ] - [ -0.0002565100000000, 0.0001726900000000, 0.0003794700000000 ] - [ -0.0008918600000000, 0.0001893400000000, 0.0002333400000000 ] - [ 0.0020677200000000, -0.0007714000000000, 0.0023782200000000 ] - [ 0.0000259200000000, 0.0002491400000000, -0.0004370700000000 ] - [ -0.0010454000000000, 0.0010039500000000, -0.0005894200000000 ] - [ -0.0043075800000000, 0.0049848300000000, 0.0141838300000000 ] - [ 0.0000712200000000, -0.0002697500000000, 0.0001609500000000 ] - [ -0.0001775200000000, 0.0005058400000000, -0.0005161500000000 ] - [ 0.0008131800000000, 0.0001599600000000, -0.0000279500000000 ] - [ 0.0002325100000000, -0.0001420300000000, 0.0003277100000000 ] - [ 0.0002047300000000, -0.0001217400000000, 0.0003446700000000 ] - [ 0.0001714000000000, -0.0000788500000000, 0.0004167400000000 ] - [ 0.0002384300000000, -0.0001028500000000, 0.0003353600000000 ] - [ -0.0000236500000000, -0.0002591800000000, 0.0003422100000000 ] - [ 0.0000069600000000, -0.0002611800000000, 0.0004489800000000 ] - [ 0.0000086600000000, -0.0002233800000000, 0.0003493200000000 ] - [ -0.0000480600000000, -0.0002019700000000, 0.0003392900000000 ] - [ -0.0003150000000000, -0.0007180900000000, -0.0001094500000000 ] - [ -0.0002037300000000, -0.0014102900000000, -0.0022304100000000 ] - [ 0.0002831100000000, -0.0000356500000000, 0.0001130400000000 ] - [ -0.0012428100000000, 0.0035894300000000, 0.0033109400000000 ] - [ 0.0002696900000000, 0.0000722100000000, 0.0003313900000000 ] - [ 0.0001625800000000, 0.0000428000000000, 0.0004172400000000 ] - [ 0.0001907400000000, 0.0001734300000000, 0.0004169900000000 ] - [ 0.0002397700000000, 0.0001507500000000, 0.0003015100000000 ] - [ -0.0012159800000000, -0.0016800600000000, 0.0021899500000000 ] - [ 0.0003872300000000, -0.0002630300000000, -0.0001432800000000 ] - [ 0.0002751600000000, 0.0008719700000000, -0.0005587400000000 ] - [ 0.0007026000000000, 0.0008020300000000, 0.0001557300000000 ] - [ -0.0000353200000000, -0.0000078100000000, -0.0004032800000000 ] - [ 0.0000299900000000, -0.0000303700000000, -0.0004889600000000 ] - [ 0.0000279000000000, 0.0000101600000000, -0.0003975300000000 ] - [ -0.0000230800000000, 0.0000270800000000, -0.0003881500000000 ] - [ -0.0010627900000000, -0.0006246900000000, 0.0011907100000000 ] - [ 0.0037866100000000, -0.0035849700000000, 0.0043643200000000 ] - [ 0.0001509300000000, 0.0002859200000000, 0.0006035300000000 ] - [ -0.0084659300000000, 0.0159901200000000, 0.0108583600000000 ] - [ -0.0007102700000000, -0.0003073100000000, -0.0002792400000000 ] - [ 0.0014483900000000, -0.0022512000000000, -0.0022471600000000 ] - [ 0.0002540400000000, 0.0003594100000000, 0.0000618500000000 ] - [ -0.0000283700000000, 0.0006576900000000, 0.0018144500000000 ] - [ -0.0000643300000000, 0.0000570400000000, -0.0003373900000000 ] - [ 0.0001384100000000, -0.0001519900000000, -0.0001810200000000 ] - [ -0.0000044000000000, -0.0000413800000000, -0.0003443500000000 ] - [ -0.0000695200000000, 0.0001275800000000, -0.0007943100000000 ] - [ 0.0015043700000000, 0.0257962500000000, 0.0129911700000000 ] - [ 0.0031619300000000, 0.0000255900000000, -0.0004888000000000 ] - [ 0.0028479800000000, -0.0037979100000000, 0.0022141000000000 ] - [ -0.0040226200000000, -0.0019319900000000, 0.0021900800000000 ] - [ -0.0000428800000000, 0.0000723400000000, -0.0004519400000000 ] - [ 0.0000327800000000, 0.0000022000000000, -0.0004276900000000 ] - [ 0.0000645400000000, -0.0000517700000000, -0.0004777900000000 ] - [ -0.0000566300000000, -0.0000206000000000, -0.0004707700000000 ] - [ 0.0000400500000000, 0.0001982700000000, -0.0002112600000000 ] - [ 0.0000103500000000, 0.0005112000000000, -0.0007243100000000 ] - [ -0.0002326600000000, -0.0004049200000000, -0.0006121900000000 ] - [ 0.0002797100000000, -0.0002714300000000, -0.0003053200000000 ] - [ 0.0015636400000000, 0.0006442100000000, -0.0010098800000000 ] - [ -0.0007027200000000, 0.0024993800000000, -0.0000606000000000 ] - [ -0.0003226000000000, -0.0006240400000000, 0.0007197800000000 ] - [ -0.0004853900000000, -0.0023268600000000, -0.0011159600000000 ]- atom: 17 displacement: [ 0.0050000000007545, -0.0086602540374088, 0.0000000000000000 ] forces: - [ -0.0010115700000000, -0.0012367300000000, -0.0006572900000000 ] - [ 0.0021263800000000, -0.0050551300000000, -0.0014749800000000 ] - [ 0.0009357600000000, 0.0020018900000000, 0.0007318200000000 ] - [ -0.0005491500000000, 0.0013732300000000, -0.0006323100000000 ] - [ -0.0000119400000000, -0.0000105500000000, 0.0001522000000000 ] - [ 0.0000118900000000, -0.0000234200000000, 0.0001444600000000 ] - [ 0.0000067600000000, 0.0000090100000000, 0.0001315800000000 ] - [ -0.0000021800000000, 0.0000238900000000, 0.0001553500000000 ] - [ 0.0001334700000000, -0.0000955900000000, 0.0002626900000000 ] - [ -0.0001408300000000, -0.0000105200000000, 0.0001790200000000 ] - [ -0.0000320600000000, 0.0001206800000000, 0.0000887900000000 ] - [ 0.0000648800000000, 0.0000006600000000, 0.0000427200000000 ] - [ 0.0005079000000000, -0.0006742200000000, -0.0001274200000000 ] - [ -0.0001739000000000, -0.0000140800000000, -0.0001159500000000 ] - [ -0.0007404000000000, 0.0002996900000000, 0.0003051300000000 ] - [ 0.0004689700000000, 0.0003569100000000, 0.0003182000000000 ] - [ -0.0114960600000000, 0.0638732000000000, 0.0372895800000000 ] - [ 0.0007693600000000, 0.0011284800000000, 0.0002847700000000 ] - [ 0.0008111400000000, -0.0013934500000000, -0.0002704100000000 ] - [ -0.0011708300000000, -0.0006571700000000, -0.0001532900000000 ] - [ 0.0000025800000000, 0.0002507100000000, -0.0003651900000000 ] - [ 0.0000253700000000, 0.0002464800000000, -0.0003540000000000 ] - [ 0.0000232400000000, 0.0002111400000000, -0.0003781700000000 ] - [ 0.0000024900000000, 0.0002331500000000, -0.0003599000000000 ] - [ -0.0001474600000000, 0.0002055500000000, -0.0002673800000000 ] - [ -0.0004162100000000, 0.0005479800000000, -0.0004231400000000 ] - [ -0.0003970000000000, 0.0000126600000000, -0.0002685300000000 ] - [ 0.0001164300000000, -0.0002906800000000, -0.0005912100000000 ] - [ -0.0000618400000000, 0.0001875700000000, -0.0003252000000000 ] - [ -0.0004513500000000, 0.0005219000000000, -0.0003041700000000 ] - [ -0.0004572100000000, 0.0000323500000000, -0.0001537600000000 ] - [ 0.0001068800000000, -0.0002954500000000, -0.0006959100000000 ] - [ 0.0003753800000000, 0.0002111800000000, -0.0000456100000000 ] - [ 0.0002491800000000, 0.0003453700000000, -0.0001678900000000 ] - [ -0.0000895900000000, -0.0001463800000000, -0.0008064000000000 ] - [ 0.0002610900000000, 0.0000526600000000, -0.0003280000000000 ] - [ 0.0003656400000000, 0.0001312100000000, -0.0006513100000000 ] - [ -0.0000967300000000, 0.0001817200000000, -0.0005580100000000 ] - [ 0.0002526600000000, 0.0001827500000000, -0.0000061200000000 ] - [ 0.0002560200000000, -0.0000040900000000, -0.0002647100000000 ] - [ -0.0000874300000000, -0.0001332000000000, -0.0002925800000000 ] - [ 0.0002072600000000, 0.0000300300000000, -0.0007969000000000 ] - [ 0.0000283900000000, -0.0004430500000000, -0.0002541400000000 ] - [ 0.0000281300000000, -0.0004594400000000, -0.0000182500000000 ] - [ 0.0000449700000000, 0.0001335700000000, -0.0005864200000000 ] - [ 0.0001147600000000, -0.0002505200000000, -0.0000339200000000 ] - [ 0.0001002600000000, -0.0004840800000000, -0.0001365200000000 ] - [ -0.0001621900000000, -0.0003377000000000, -0.0006910300000000 ] - [ 0.0003321400000000, 0.0039725100000000, 0.0029299800000000 ] - [ 0.0008074000000000, 0.0010158200000000, -0.0002660200000000 ] - [ 0.0005347800000000, -0.0010839200000000, 0.0003395600000000 ] - [ -0.0002987000000000, -0.0005954600000000, 0.0009601000000000 ] - [ -0.0000096200000000, 0.0004137400000000, -0.0000230300000000 ] - [ -0.0000042200000000, 0.0003605200000000, 0.0000494400000000 ] - [ 0.0000139600000000, 0.0003130500000000, 0.0000649700000000 ] - [ -0.0000299900000000, 0.0003388900000000, 0.0000154500000000 ] - [ -0.0004788400000000, -0.0151344900000000, 0.0011693800000000 ] - [ 0.0009596700000000, -0.0010448000000000, 0.0002612300000000 ] - [ 0.0047928100000000, -0.0024942800000000, 0.0018742400000000 ] - [ -0.0014164600000000, 0.0004117200000000, 0.0000862200000000 ] - [ 0.0001928600000000, -0.0001152100000000, -0.0003738800000000 ] - [ 0.0002061300000000, -0.0001326200000000, -0.0003616900000000 ] - [ 0.0002048000000000, -0.0001270900000000, -0.0003658000000000 ] - [ 0.0001939700000000, -0.0001310600000000, -0.0003604400000000 ] - [ -0.0032465700000000, 0.0024513000000000, 0.0010826500000000 ] - [ 0.0052792000000000, -0.0014025300000000, -0.0006366900000000 ] - [ 0.0004328900000000, -0.0013486800000000, 0.0000055000000000 ] - [ -0.0024526300000000, -0.0041267500000000, 0.0016594600000000 ] - [ -0.0002114900000000, -0.0000972800000000, -0.0003661800000000 ] - [ -0.0002066600000000, -0.0001009300000000, -0.0003694500000000 ] - [ -0.0002085800000000, -0.0001176100000000, -0.0003589800000000 ] - [ -0.0002185300000000, -0.0001105500000000, -0.0003667900000000 ] - [ -0.0019411600000000, -0.0006440400000000, -0.0008725500000000 ] - [ 0.0004673000000000, -0.0007467800000000, 0.0001321000000000 ] - [ 0.0004755400000000, -0.0001252700000000, 0.0009366200000000 ] - [ -0.0018640600000000, -0.0003646400000000, 0.0026398000000000 ] - [ -0.0003109600000000, -0.0001625200000000, 0.0000549000000000 ] - [ -0.0002755000000000, -0.0002017300000000, 0.0000529900000000 ] - [ -0.0002762000000000, -0.0001933000000000, 0.0000149500000000 ] - [ -0.0003527500000000, -0.0001912200000000, -0.0000266300000000 ] - [ -0.0002595700000000, 0.0001622300000000, 0.0001030700000000 ] - [ -0.0003129600000000, 0.0002609300000000, 0.0000282800000000 ] - [ -0.0003967100000000, 0.0001969000000000, -0.0000493500000000 ] - [ -0.0002594300000000, 0.0001513800000000, 0.0000107100000000 ] - [ 0.0003825400000000, 0.0001188000000000, 0.0001511300000000 ] - [ -0.0025529100000000, 0.0010741200000000, -0.0019821700000000 ] - [ -0.0005489100000000, 0.0000894700000000, 0.0007994100000000 ] - [ 0.0005373600000000, -0.0006981700000000, 0.0009772300000000 ] - [ 0.0048223500000000, -0.0052596200000000, -0.0139089200000000 ] - [ 0.0004684300000000, -0.0000101400000000, 0.0002327400000000 ] - [ 0.0006930200000000, -0.0007920500000000, 0.0009120400000000 ] - [ -0.0002851100000000, -0.0004471300000000, 0.0004238300000000 ] - [ 0.0002847100000000, -0.0001488900000000, 0.0000591200000000 ] - [ 0.0003214200000000, -0.0001616300000000, 0.0000328100000000 ] - [ 0.0003504800000000, -0.0002019700000000, -0.0000339900000000 ] - [ 0.0002940800000000, -0.0001795700000000, 0.0000413500000000 ] - [ 0.0000012400000000, -0.0003262700000000, 0.0000607500000000 ] - [ -0.0000258800000000, -0.0003373400000000, -0.0000560200000000 ] - [ -0.0000324400000000, -0.0003856200000000, 0.0000373300000000 ] - [ 0.0000215300000000, -0.0003986900000000, 0.0000564800000000 ] - [ 0.0003010100000000, 0.0001253500000000, 0.0004915700000000 ] - [ 0.0001837600000000, 0.0008165300000000, 0.0026152500000000 ] - [ -0.0003177800000000, -0.0005823200000000, 0.0002531100000000 ] - [ 0.0012065900000000, -0.0041267600000000, -0.0028868600000000 ] - [ 0.0002597500000000, 0.0002093000000000, 0.0000678900000000 ] - [ 0.0003679900000000, 0.0002398400000000, -0.0000232300000000 ] - [ 0.0003538400000000, 0.0001021700000000, -0.0000298400000000 ] - [ 0.0002881400000000, 0.0001271800000000, 0.0000950300000000 ] - [ 0.0017280100000000, 0.0019402800000000, -0.0017952500000000 ] - [ 0.0001397400000000, 0.0005406100000000, 0.0005275800000000 ] - [ 0.0002753600000000, -0.0005893300000000, 0.0009269400000000 ] - [ -0.0001757000000000, -0.0005129500000000, 0.0002306500000000 ] - [ 0.0000362100000000, 0.0000085500000000, 0.0003975600000000 ] - [ -0.0000336800000000, 0.0000295500000000, 0.0004789900000000 ] - [ -0.0000268200000000, -0.0000103600000000, 0.0003957100000000 ] - [ 0.0000206400000000, -0.0000234200000000, 0.0003772400000000 ] - [ 0.0010455200000000, 0.0006024500000000, -0.0011605100000000 ] - [ -0.0037863800000000, 0.0035810200000000, -0.0043591400000000 ] - [ -0.0001447200000000, -0.0002808200000000, -0.0005858400000000 ] - [ 0.0080992800000000, -0.0152360600000000, -0.0100699300000000 ] - [ 0.0006993200000000, 0.0002997700000000, 0.0002564100000000 ] - [ -0.0014403200000000, 0.0022389200000000, 0.0022233900000000 ] - [ -0.0002521800000000, -0.0003542200000000, -0.0000772700000000 ] - [ 0.0000326600000000, -0.0006273400000000, -0.0018490200000000 ] - [ 0.0000661000000000, -0.0000567100000000, 0.0003442400000000 ] - [ -0.0001382200000000, 0.0001540400000000, 0.0001895800000000 ] - [ 0.0000039400000000, 0.0000383900000000, 0.0003502100000000 ] - [ 0.0000671800000000, -0.0001264200000000, 0.0007968900000000 ] - [ -0.0019847900000000, -0.0261052200000000, -0.0134327900000000 ] - [ -0.0031775700000000, -0.0000254800000000, 0.0005003500000000 ] - [ -0.0028404900000000, 0.0037898100000000, -0.0021909000000000 ] - [ 0.0039964400000000, 0.0019581600000000, -0.0021637800000000 ] - [ 0.0000306200000000, -0.0000663300000000, 0.0004506100000000 ] - [ -0.0000311300000000, -0.0000000700000000, 0.0004306500000000 ] - [ -0.0000672900000000, 0.0000489200000000, 0.0004768200000000 ] - [ 0.0000558200000000, 0.0000184400000000, 0.0004705800000000 ] - [ -0.0000368300000000, -0.0002042200000000, 0.0001876400000000 ] - [ -0.0000075000000000, -0.0005032400000000, 0.0007043600000000 ] - [ 0.0002314000000000, 0.0004014200000000, 0.0005956100000000 ] - [ -0.0002740600000000, 0.0002770500000000, 0.0002800600000000 ] - [ -0.0015527000000000, -0.0006330800000000, 0.0010170000000000 ] - [ 0.0006952100000000, -0.0024827700000000, 0.0000727300000000 ] - [ 0.0003293200000000, 0.0006180600000000, -0.0007051100000000 ] - [ 0.0004792500000000, 0.0022996400000000, 0.0011173400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013573200000000, 0.0006015200000000, 0.0019571300000000 ] - [ -0.0009871200000000, 0.0013318500000000, 0.0070705700000000 ] - [ -0.0001440100000000, -0.0008076800000000, 0.0008289300000000 ] - [ 0.0001660800000000, -0.0003278000000000, 0.0011074000000000 ] - [ 0.0000194000000000, 0.0000065900000000, -0.0004665500000000 ] - [ -0.0000137500000000, 0.0000062300000000, -0.0004903100000000 ] - [ 0.0000020300000000, -0.0000000500000000, -0.0004443900000000 ] - [ -0.0000067800000000, -0.0000139600000000, -0.0004594000000000 ] - [ -0.0000987600000000, -0.0001031700000000, -0.0006974800000000 ] - [ 0.0001190900000000, -0.0000208300000000, -0.0003893700000000 ] - [ -0.0000807400000000, 0.0000277600000000, -0.0003863400000000 ] - [ 0.0000545200000000, 0.0000776100000000, -0.0003843700000000 ] - [ 0.0004162400000000, 0.0008920900000000, -0.0011003100000000 ] - [ -0.0002149400000000, 0.0001137600000000, -0.0000607300000000 ] - [ 0.0005525000000000, -0.0001441200000000, -0.0002659400000000 ] - [ -0.0004626600000000, -0.0007102700000000, -0.0004075600000000 ] - [ -0.0087864600000000, -0.0479458100000000, -0.0725125500000000 ] - [ 0.0000902900000000, -0.0002113000000000, -0.0013105900000000 ] - [ -0.0002197500000000, 0.0002379200000000, -0.0013971400000000 ] - [ 0.0004226800000000, 0.0004922200000000, -0.0010802800000000 ] - [ 0.0000102700000000, 0.0004927300000000, 0.0003711700000000 ] - [ 0.0000045200000000, 0.0004818400000000, 0.0003256900000000 ] - [ -0.0000033800000000, 0.0005055800000000, 0.0003477500000000 ] - [ 0.0000101200000000, 0.0004870800000000, 0.0003220300000000 ] - [ -0.0002225400000000, 0.0001325000000000, 0.0000491900000000 ] - [ -0.0006548200000000, 0.0000487500000000, 0.0009281500000000 ] - [ -0.0002726500000000, 0.0002738100000000, 0.0000829900000000 ] - [ -0.0006369500000000, 0.0005039800000000, 0.0004058000000000 ] - [ -0.0003928900000000, 0.0001783200000000, 0.0000736500000000 ] - [ -0.0005278600000000, 0.0002647400000000, 0.0009115700000000 ] - [ -0.0002896400000000, 0.0002188300000000, 0.0000340000000000 ] - [ -0.0005530900000000, 0.0004423200000000, 0.0003948900000000 ] - [ 0.0007015400000000, 0.0000879400000000, 0.0004932900000000 ] - [ 0.0000798800000000, 0.0000237500000000, 0.0001414100000000 ] - [ 0.0006145200000000, 0.0006660800000000, 0.0006108700000000 ] - [ 0.0003182000000000, 0.0002008600000000, 0.0000687500000000 ] - [ 0.0001089700000000, 0.0003991300000000, 0.0004788400000000 ] - [ 0.0008830800000000, 0.0004182200000000, 0.0005996000000000 ] - [ 0.0002375800000000, -0.0001523800000000, 0.0001254000000000 ] - [ 0.0003953300000000, 0.0002719800000000, 0.0000541800000000 ] - [ 0.0003357600000000, -0.0003014200000000, 0.0005055100000000 ] - [ -0.0003318100000000, -0.0005398900000000, 0.0005471100000000 ] - [ 0.0000399500000000, -0.0002611300000000, 0.0000106500000000 ] - [ -0.0000857600000000, -0.0008102000000000, 0.0003660500000000 ] - [ -0.0002586300000000, -0.0008526200000000, 0.0005343700000000 ] - [ 0.0003949400000000, -0.0006415300000000, 0.0004859800000000 ] - [ -0.0000540700000000, -0.0003481800000000, 0.0000001100000000 ] - [ 0.0000734100000000, -0.0001355800000000, 0.0003541600000000 ] - [ 0.0094100400000000, -0.0020617100000000, 0.0091309800000000 ] - [ -0.0010491400000000, 0.0003662600000000, -0.0003620200000000 ] - [ -0.0001713100000000, 0.0012814100000000, -0.0006575700000000 ] - [ 0.0001615100000000, 0.0003592600000000, -0.0006529600000000 ] - [ -0.0000405700000000, 0.0000635100000000, 0.0007865600000000 ] - [ 0.0000163200000000, 0.0001154100000000, 0.0007179100000000 ] - [ -0.0000388400000000, 0.0001106900000000, 0.0006909000000000 ] - [ -0.0000047400000000, 0.0001449300000000, 0.0006935800000000 ] - [ -0.0010513300000000, 0.0022324400000000, -0.0050921700000000 ] - [ 0.0000463800000000, 0.0001992800000000, -0.0011670000000000 ] - [ -0.0016077300000000, 0.0001695700000000, -0.0032505100000000 ] - [ 0.0006800600000000, 0.0004902100000000, -0.0024546700000000 ] - [ 0.0004263800000000, -0.0002529500000000, 0.0003496300000000 ] - [ 0.0004187800000000, -0.0002416600000000, 0.0003262900000000 ] - [ 0.0004269900000000, -0.0002519500000000, 0.0003522400000000 ] - [ 0.0004315300000000, -0.0002509800000000, 0.0003486500000000 ] - [ 0.0020473700000000, 0.0001510100000000, -0.0050972200000000 ] - [ 0.0001499800000000, -0.0000564900000000, -0.0024507000000000 ] - [ -0.0001839900000000, 0.0003455000000000, -0.0011672600000000 ] - [ 0.0012436300000000, 0.0014050600000000, -0.0032573700000000 ] - [ -0.0004279500000000, -0.0002447800000000, 0.0003450700000000 ] - [ -0.0004286800000000, -0.0002451100000000, 0.0003469000000000 ] - [ -0.0004285900000000, -0.0002345400000000, 0.0003261900000000 ] - [ -0.0004334200000000, -0.0002395400000000, 0.0003472000000000 ] - [ 0.0008281900000000, 0.0014412500000000, 0.0000493400000000 ] - [ -0.0009843500000000, -0.0000583500000000, -0.0006629400000000 ] - [ -0.0001943000000000, -0.0006384000000000, -0.0006693900000000 ] - [ -0.0026837100000000, -0.0047658900000000, 0.0014091200000000 ] - [ -0.0001118400000000, -0.0001084300000000, 0.0006881100000000 ] - [ -0.0000735800000000, -0.0000721700000000, 0.0007097400000000 ] - [ -0.0001154100000000, -0.0000661100000000, 0.0007022400000000 ] - [ -0.0000337200000000, -0.0000280100000000, 0.0007902200000000 ] - [ -0.0000442900000000, 0.0000594800000000, 0.0007010200000000 ] - [ -0.0001263700000000, -0.0000337300000000, 0.0007909800000000 ] - [ -0.0000323000000000, 0.0001334000000000, 0.0007516200000000 ] - [ -0.0001518300000000, 0.0001051700000000, 0.0006775300000000 ] - [ -0.0010048400000000, 0.0004065400000000, -0.0001631700000000 ] - [ 0.0017559000000000, 0.0009906100000000, 0.0028650000000000 ] - [ -0.0005975300000000, -0.0003602800000000, -0.0001453800000000 ] - [ -0.0002922200000000, 0.0004511500000000, -0.0001885400000000 ] - [ -0.0081867800000000, 0.0110484000000000, 0.0153612900000000 ] - [ 0.0009270400000000, -0.0000241400000000, -0.0004652500000000 ] - [ 0.0007287900000000, -0.0006943200000000, -0.0008966900000000 ] - [ 0.0001734900000000, -0.0002345300000000, -0.0004636500000000 ] - [ 0.0000979900000000, -0.0000768300000000, 0.0007632300000000 ] - [ 0.0001074400000000, -0.0000613800000000, 0.0006806000000000 ] - [ 0.0000615800000000, 0.0000050600000000, 0.0007633200000000 ] - [ 0.0001398700000000, -0.0000284300000000, 0.0006801000000000 ] - [ 0.0000383700000000, -0.0001092200000000, 0.0007037800000000 ] - [ -0.0000519400000000, -0.0000354600000000, 0.0008721300000000 ] - [ -0.0000256400000000, -0.0001383900000000, 0.0006417300000000 ] - [ -0.0000230500000000, -0.0001385100000000, 0.0007187100000000 ] - [ -0.0003781200000000, -0.0008548100000000, -0.0003288000000000 ] - [ 0.0017431800000000, -0.0021104600000000, 0.0031329300000000 ] - [ 0.0002537500000000, -0.0002336700000000, -0.0001007400000000 ] - [ -0.0009706000000000, 0.0027393400000000, 0.0026208000000000 ] - [ 0.0001653600000000, 0.0000132700000000, 0.0007932200000000 ] - [ 0.0000314900000000, 0.0000041400000000, 0.0007487400000000 ] - [ 0.0001100300000000, 0.0001146300000000, 0.0007081400000000 ] - [ 0.0001023400000000, 0.0000222000000000, 0.0006792900000000 ] - [ -0.0027243400000000, -0.0006595300000000, 0.0028611300000000 ] - [ 0.0013687100000000, 0.0002222500000000, -0.0001369300000000 ] - [ 0.0001745100000000, 0.0001417500000000, -0.0001635500000000 ] - [ 0.0007279500000000, 0.0007777500000000, -0.0001869000000000 ] - [ -0.0000304500000000, -0.0000267800000000, -0.0012781800000000 ] - [ 0.0000387800000000, -0.0000596200000000, -0.0013499000000000 ] - [ 0.0000101300000000, 0.0000313400000000, -0.0012660500000000 ] - [ -0.0000184700000000, 0.0000536400000000, -0.0013800800000000 ] - [ -0.0000879400000000, -0.0002325500000000, 0.0025542000000000 ] - [ -0.0005814700000000, 0.0022795000000000, 0.0031966900000000 ] - [ -0.0005756000000000, -0.0002770000000000, 0.0020891200000000 ] - [ -0.0038762600000000, 0.0080042800000000, 0.0118661300000000 ] - [ -0.0009541200000000, -0.0007334200000000, -0.0002766300000000 ] - [ 0.0018364400000000, -0.0028141700000000, -0.0018997500000000 ] - [ 0.0002902300000000, 0.0002887600000000, 0.0001322200000000 ] - [ -0.0001075000000000, 0.0031652000000000, -0.0024288900000000 ] - [ 0.0000545500000000, 0.0001159700000000, -0.0010986700000000 ] - [ 0.0000122600000000, 0.0001789400000000, -0.0012992800000000 ] - [ -0.0001634900000000, -0.0000927100000000, -0.0011533000000000 ] - [ 0.0001087500000000, -0.0001970600000000, -0.0017041900000000 ] - [ 0.0142666800000000, 0.0247387400000000, 0.0347778100000000 ] - [ 0.0003888300000000, -0.0002094900000000, 0.0030104200000000 ] - [ 0.0005614100000000, -0.0006860300000000, 0.0035559400000000 ] - [ -0.0001643600000000, 0.0011172200000000, 0.0049774600000000 ] - [ 0.0000171000000000, 0.0000659700000000, -0.0015032500000000 ] - [ -0.0000188000000000, 0.0000099000000000, -0.0014097700000000 ] - [ 0.0000455800000000, -0.0000131500000000, -0.0014330500000000 ] - [ -0.0000459400000000, -0.0000592900000000, -0.0014400800000000 ] - [ -0.0004674000000000, 0.0000658500000000, -0.0015040000000000 ] - [ 0.0005456300000000, 0.0003165800000000, -0.0018647200000000 ] - [ -0.0001841900000000, -0.0004767500000000, -0.0012581600000000 ] - [ 0.0001338000000000, 0.0001597900000000, -0.0011865400000000 ] - [ 0.0024504500000000, 0.0003131600000000, -0.0013211600000000 ] - [ -0.0025731400000000, 0.0001918500000000, -0.0033287400000000 ] - [ 0.0000366600000000, 0.0003397800000000, 0.0000080700000000 ] - [ -0.0006645500000000, -0.0016166700000000, -0.0009623500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013495000000000, -0.0005918100000000, -0.0019682600000000 ] - [ 0.0012221100000000, -0.0013210900000000, -0.0071829600000000 ] - [ 0.0001435600000000, 0.0007959700000000, -0.0008361100000000 ] - [ -0.0001683100000000, 0.0003265900000000, -0.0011066500000000 ] - [ -0.0000197200000000, -0.0000027400000000, 0.0004632700000000 ] - [ 0.0000154600000000, -0.0000061400000000, 0.0004880500000000 ] - [ 0.0000018200000000, -0.0000026900000000, 0.0004419000000000 ] - [ 0.0000037500000000, 0.0000119500000000, 0.0004566800000000 ] - [ 0.0001011600000000, 0.0001030400000000, 0.0006957800000000 ] - [ -0.0001231700000000, 0.0000213700000000, 0.0003872000000000 ] - [ 0.0000789200000000, -0.0000261000000000, 0.0003849900000000 ] - [ -0.0000545000000000, -0.0000795900000000, 0.0003817100000000 ] - [ -0.0004147200000000, -0.0008862800000000, 0.0010926300000000 ] - [ 0.0002139700000000, -0.0001121400000000, 0.0000606600000000 ] - [ -0.0005504100000000, 0.0001431000000000, 0.0002637000000000 ] - [ 0.0004602600000000, 0.0007057200000000, 0.0004046600000000 ] - [ 0.0095834200000000, 0.0494737400000000, 0.0730246200000000 ] - [ -0.0000682300000000, 0.0008086400000000, 0.0009230600000000 ] - [ 0.0002343000000000, 0.0003670800000000, 0.0010175400000000 ] - [ -0.0004012100000000, 0.0001034900000000, 0.0006948300000000 ] - [ 0.0000146600000000, 0.0001043000000000, -0.0007620600000000 ] - [ 0.0000128500000000, 0.0001141700000000, -0.0007226800000000 ] - [ 0.0000178100000000, 0.0000971600000000, -0.0007301300000000 ] - [ 0.0000151400000000, 0.0001044500000000, -0.0007147300000000 ] - [ -0.0003113200000000, 0.0001583100000000, -0.0004192300000000 ] - [ 0.0001250300000000, 0.0002407200000000, -0.0012960600000000 ] - [ -0.0002554000000000, 0.0000083100000000, -0.0004557600000000 ] - [ 0.0001041600000000, -0.0002148800000000, -0.0007743600000000 ] - [ -0.0001387400000000, 0.0001122700000000, -0.0004732800000000 ] - [ -0.0000054200000000, 0.0000172300000000, -0.0013082200000000 ] - [ -0.0002429900000000, 0.0000665300000000, -0.0004290500000000 ] - [ 0.0000178400000000, -0.0001596100000000, -0.0007943400000000 ] - [ -0.0001961000000000, 0.0002335000000000, -0.0008673400000000 ] - [ 0.0004356800000000, 0.0002929300000000, -0.0005116400000000 ] - [ -0.0001021100000000, -0.0003552500000000, -0.0009866100000000 ] - [ 0.0001921800000000, 0.0001163800000000, -0.0004363900000000 ] - [ 0.0003953700000000, -0.0000745900000000, -0.0008775500000000 ] - [ -0.0003686400000000, -0.0000939400000000, -0.0009989900000000 ] - [ 0.0002732100000000, 0.0004668300000000, -0.0005236900000000 ] - [ 0.0001099700000000, 0.0000470100000000, -0.0004616800000000 ] - [ -0.0003163100000000, -0.0003005200000000, -0.0008771900000000 ] - [ 0.0003539900000000, -0.0000638700000000, -0.0009194200000000 ] - [ -0.0000199100000000, -0.0003421500000000, -0.0003850000000000 ] - [ 0.0001027900000000, 0.0002043900000000, -0.0007371200000000 ] - [ 0.0002762200000000, 0.0002462900000000, -0.0009346500000000 ] - [ -0.0003671200000000, 0.0000383300000000, -0.0008877100000000 ] - [ 0.0000754200000000, -0.0002578700000000, -0.0003972300000000 ] - [ -0.0000486100000000, -0.0004609000000000, -0.0007587100000000 ] - [ -0.0095888500000000, 0.0026848900000000, -0.0088506000000000 ] - [ 0.0010296600000000, 0.0002358900000000, 0.0007635400000000 ] - [ 0.0001472200000000, -0.0006768400000000, 0.0010552900000000 ] - [ -0.0001806900000000, 0.0002381700000000, 0.0010592000000000 ] - [ 0.0000222700000000, 0.0005367100000000, -0.0004093900000000 ] - [ -0.0000312400000000, 0.0004800100000000, -0.0003348200000000 ] - [ 0.0000179500000000, 0.0004921000000000, -0.0003223800000000 ] - [ -0.0000147600000000, 0.0004510900000000, -0.0003167600000000 ] - [ 0.0015576400000000, -0.0024725400000000, 0.0047114300000000 ] - [ 0.0004691000000000, -0.0005086900000000, 0.0007878000000000 ] - [ 0.0021253100000000, -0.0005003700000000, 0.0028601700000000 ] - [ -0.0001900000000000, -0.0008204600000000, 0.0020610300000000 ] - [ 0.0000895800000000, -0.0000643500000000, -0.0007355800000000 ] - [ 0.0000848500000000, -0.0000683000000000, -0.0007207000000000 ] - [ 0.0000861800000000, -0.0000618900000000, -0.0007328900000000 ] - [ 0.0000821100000000, -0.0000642300000000, -0.0007358800000000 ] - [ -0.0024973400000000, -0.0003938400000000, 0.0047049600000000 ] - [ -0.0007087300000000, -0.0002158500000000, 0.0020675400000000 ] - [ -0.0003529500000000, -0.0006249500000000, 0.0007869400000000 ] - [ -0.0017608700000000, -0.0016957600000000, 0.0028538900000000 ] - [ -0.0000987600000000, -0.0000372700000000, -0.0007372900000000 ] - [ -0.0000951100000000, -0.0000362600000000, -0.0007396500000000 ] - [ -0.0001079100000000, -0.0000456500000000, -0.0007115300000000 ] - [ -0.0000964500000000, -0.0000414900000000, -0.0007411300000000 ] - [ -0.0013308800000000, -0.0017545700000000, 0.0003680200000000 ] - [ 0.0004772600000000, -0.0002580800000000, 0.0010674300000000 ] - [ -0.0003197600000000, 0.0003189200000000, 0.0010645800000000 ] - [ 0.0022083300000000, 0.0044969100000000, -0.0010286300000000 ] - [ -0.0003921000000000, -0.0002129800000000, -0.0003125800000000 ] - [ -0.0004305600000000, -0.0002416900000000, -0.0003246100000000 ] - [ -0.0004008000000000, -0.0002463900000000, -0.0003337900000000 ] - [ -0.0004673800000000, -0.0002860100000000, -0.0004107500000000 ] - [ -0.0004715100000000, 0.0002579000000000, -0.0003086100000000 ] - [ -0.0003825500000000, 0.0003521200000000, -0.0004000600000000 ] - [ -0.0004756600000000, 0.0001765800000000, -0.0003594200000000 ] - [ -0.0003663600000000, 0.0002125600000000, -0.0002855500000000 ] - [ 0.0004817700000000, -0.0000840600000000, 0.0005329400000000 ] - [ -0.0022463100000000, -0.0006528300000000, -0.0024586700000000 ] - [ 0.0000773200000000, 0.0006757700000000, 0.0005082000000000 ] - [ -0.0002221300000000, -0.0001318100000000, 0.0005597000000000 ] - [ 0.0088728300000000, -0.0115517900000000, -0.0152257800000000 ] - [ -0.0003979500000000, -0.0002611100000000, 0.0008650500000000 ] - [ -0.0001955700000000, 0.0004070500000000, 0.0012904200000000 ] - [ 0.0003543700000000, -0.0000504400000000, 0.0008683700000000 ] - [ 0.0004306400000000, -0.0002123400000000, -0.0003883800000000 ] - [ 0.0004112800000000, -0.0002212700000000, -0.0003020300000000 ] - [ 0.0004684800000000, -0.0002902000000000, -0.0003944300000000 ] - [ 0.0003914500000000, -0.0002553800000000, -0.0003048700000000 ] - [ -0.0000631200000000, -0.0004840000000000, -0.0003056900000000 ] - [ 0.0000353500000000, -0.0005665900000000, -0.0004796600000000 ] - [ 0.0000142600000000, -0.0004619900000000, -0.0002485100000000 ] - [ -0.0000010400000000, -0.0004593600000000, -0.0003253300000000 ] - [ 0.0003550800000000, 0.0002478000000000, 0.0006969700000000 ] - [ -0.0017381700000000, 0.0014741800000000, -0.0027138700000000 ] - [ -0.0002712500000000, -0.0003723300000000, 0.0004690900000000 ] - [ 0.0009388100000000, -0.0033123100000000, -0.0022174000000000 ] - [ 0.0003658900000000, 0.0002686200000000, -0.0003943900000000 ] - [ 0.0004970600000000, 0.0002865800000000, -0.0003574500000000 ] - [ 0.0004179900000000, 0.0001654300000000, -0.0003129000000000 ] - [ 0.0004273300000000, 0.0002587000000000, -0.0002844000000000 ] - [ 0.0032230900000000, 0.0009382800000000, -0.0024588100000000 ] - [ -0.0008255700000000, 0.0000600700000000, 0.0005118900000000 ] - [ 0.0003620000000000, 0.0001434700000000, 0.0005303200000000 ] - [ -0.0001901200000000, -0.0004904500000000, 0.0005610900000000 ] - [ 0.0000302400000000, 0.0000261400000000, 0.0012737500000000 ] - [ -0.0000373000000000, 0.0000600500000000, 0.0013437300000000 ] - [ -0.0000109200000000, -0.0000307700000000, 0.0012586400000000 ] - [ 0.0000176300000000, -0.0000549300000000, 0.0013742200000000 ] - [ 0.0000773000000000, 0.0002219000000000, -0.0025226500000000 ] - [ 0.0005958900000000, -0.0022844000000000, -0.0031561700000000 ] - [ 0.0005785300000000, 0.0002772200000000, -0.0020681800000000 ] - [ 0.0036433600000000, -0.0075408200000000, -0.0115879800000000 ] - [ 0.0009505500000000, 0.0007337300000000, 0.0002554900000000 ] - [ -0.0018402500000000, 0.0028230400000000, 0.0018886000000000 ] - [ -0.0002887600000000, -0.0002887100000000, -0.0001495300000000 ] - [ 0.0001041000000000, -0.0031702800000000, 0.0024105400000000 ] - [ -0.0000531100000000, -0.0001148200000000, 0.0011049300000000 ] - [ -0.0000162000000000, -0.0001775200000000, 0.0013065100000000 ] - [ 0.0001658100000000, 0.0000919500000000, 0.0011596500000000 ] - [ -0.0001103400000000, 0.0001954500000000, 0.0017077800000000 ] - [ -0.0151151700000000, -0.0261010600000000, -0.0354119500000000 ] - [ -0.0003850300000000, 0.0002078100000000, -0.0030269200000000 ] - [ -0.0005603000000000, 0.0006865200000000, -0.0035619000000000 ] - [ 0.0001609900000000, -0.0011013400000000, -0.0049914900000000 ] - [ -0.0000195200000000, -0.0000640500000000, 0.0015020200000000 ] - [ 0.0000171100000000, -0.0000092000000000, 0.0014085900000000 ] - [ -0.0000457700000000, 0.0000139600000000, 0.0014316100000000 ] - [ 0.0000432700000000, 0.0000602900000000, 0.0014394600000000 ] - [ 0.0004698300000000, -0.0000670600000000, 0.0014926900000000 ] - [ -0.0005436400000000, -0.0003195500000000, 0.0018549900000000 ] - [ 0.0001867300000000, 0.0004770100000000, 0.0012450200000000 ] - [ -0.0001330900000000, -0.0001610300000000, 0.0011769000000000 ] - [ -0.0024284100000000, -0.0003107100000000, 0.0013249000000000 ] - [ 0.0025520200000000, -0.0001887000000000, 0.0033167900000000 ] - [ -0.0000339600000000, -0.0003406800000000, 0.0000076700000000 ] - [ 0.0006607800000000, 0.0015998500000000, 0.0009651200000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000560700000000, -0.0000148100000000, -0.0000226500000000 ] - [ 0.0000572900000000, 0.0000296800000000, 0.0000000900000000 ] - [ 0.0000028900000000, -0.0000408700000000, 0.0001362100000000 ] - [ -0.0000001200000000, 0.0000252800000000, -0.0001136300000000 ] - [ -0.0031072600000000, 0.0008034500000000, -0.0006007500000000 ] - [ 0.0013766200000000, -0.0004158800000000, -0.0000011600000000 ] - [ 0.0020565800000000, -0.0020833600000000, -0.0030057900000000 ] - [ 0.0019723900000000, 0.0038410400000000, 0.0035919800000000 ] - [ 0.0019722900000000, 0.0038570700000000, 0.0036162000000000 ] - [ 0.0020719400000000, -0.0020630200000000, -0.0029890200000000 ] - [ 0.0013740200000000, -0.0004246600000000, 0.0000012900000000 ] - [ -0.0031133600000000, 0.0008183000000000, -0.0006122100000000 ] - [ -0.0000029100000000, 0.0000247300000000, -0.0001147000000000 ] - [ 0.0000044800000000, -0.0000420000000000, 0.0001355200000000 ] - [ 0.0000572900000000, 0.0000299800000000, 0.0000001900000000 ] - [ -0.0000568100000000, -0.0000122000000000, -0.0000220400000000 ] - [ 0.0000070300000000, 0.0002566200000000, -0.0002234000000000 ] - [ 0.0000185700000000, 0.0003371800000000, -0.0001542900000000 ] - [ -0.0000458900000000, 0.0002969600000000, -0.0001862200000000 ] - [ 0.0000698000000000, 0.0003084800000000, -0.0002102700000000 ] - [ -0.0016111800000000, -0.0018609500000000, -0.0002725200000000 ] - [ 0.0002663100000000, 0.0048214000000000, -0.0007782500000000 ] - [ -0.0025642800000000, -0.0010080100000000, -0.0007592900000000 ] - [ 0.0091430300000000, -0.0040625300000000, -0.0040186500000000 ] - [ -0.0006500600000000, 0.0013431300000000, 0.0013454400000000 ] - [ -0.0006311500000000, -0.0005760300000000, -0.0005831200000000 ] - [ 0.0027076800000000, 0.0012284300000000, -0.0028803300000000 ] - [ -0.0019586900000000, -0.0001211500000000, 0.0009215700000000 ] - [ -0.0001712800000000, 0.0002708600000000, -0.0003543100000000 ] - [ -0.0004058700000000, 0.0001054700000000, -0.0000344800000000 ] - [ -0.0001310700000000, 0.0001312900000000, -0.0000836300000000 ] - [ -0.0003656800000000, 0.0000687200000000, -0.0003183100000000 ] - [ 0.0003441900000000, -0.0002698300000000, -0.0003460600000000 ] - [ 0.0004413200000000, 0.0006330100000000, -0.0000814200000000 ] - [ -0.0024100500000000, -0.0004460900000000, -0.0035501000000000 ] - [ 0.0008197700000000, 0.0005539000000000, 0.0026106400000000 ] - [ 0.0003376500000000, 0.0001252700000000, -0.0001218100000000 ] - [ 0.0002221800000000, 0.0002423600000000, -0.0001953400000000 ] - [ 0.0000537100000000, 0.0002050400000000, -0.0000517100000000 ] - [ 0.0003997500000000, 0.0000552100000000, -0.0004184200000000 ] - [ 0.0023871900000000, -0.0016389900000000, -0.0002864400000000 ] - [ -0.0011048900000000, 0.0000497500000000, 0.0000994700000000 ] - [ -0.0006417400000000, 0.0008916200000000, -0.0011454200000000 ] - [ 0.0000466600000000, -0.0019939700000000, 0.0016560200000000 ] - [ 0.0002303300000000, -0.0003526400000000, -0.0000866600000000 ] - [ -0.0001751500000000, -0.0001861600000000, -0.0003627000000000 ] - [ -0.0000264600000000, -0.0002015900000000, -0.0001455900000000 ] - [ 0.0000293100000000, -0.0004732100000000, -0.0001816300000000 ] - [ 0.0000043700000000, 0.0001301200000000, 0.0002092600000000 ] - [ -0.0000507000000000, 0.0003993000000000, 0.0002481500000000 ] - [ -0.0002023500000000, 0.0004155300000000, 0.0000328900000000 ] - [ 0.0002087500000000, 0.0002535100000000, 0.0003062600000000 ] - [ 0.0000278700000000, -0.0013805000000000, 0.0020206900000000 ] - [ -0.0006625700000000, 0.0014888900000000, -0.0007615400000000 ] - [ -0.0011297200000000, 0.0006583000000000, 0.0004802100000000 ] - [ 0.0023510000000000, -0.0010347900000000, 0.0000839500000000 ] - [ 0.0002152600000000, -0.0001547900000000, -0.0002623000000000 ] - [ 0.0002915400000000, -0.0001700500000000, -0.0001332400000000 ] - [ 0.0002501400000000, -0.0001808900000000, -0.0001724700000000 ] - [ 0.0002685500000000, -0.0001317300000000, -0.0001999400000000 ] - [ -0.0047490700000000, -0.0009263600000000, 0.0021057700000000 ] - [ 0.0174457300000000, 0.0027033600000000, 0.0080024500000000 ] - [ 0.0004276700000000, -0.0011577400000000, -0.0001398100000000 ] - [ 0.0002503700000000, 0.0015903600000000, -0.0003501100000000 ] - [ -0.0002064600000000, -0.0001665900000000, -0.0002305200000000 ] - [ -0.0003264200000000, -0.0001348500000000, -0.0001530700000000 ] - [ -0.0002790900000000, -0.0001019300000000, -0.0002303700000000 ] - [ -0.0002551800000000, -0.0001616300000000, -0.0001578100000000 ] - [ 0.0069963100000000, 0.0066216000000000, -0.0051457700000000 ] - [ -0.0044758400000000, 0.0010587000000000, 0.0000545000000000 ] - [ -0.0017425500000000, 0.0010807100000000, 0.0003420400000000 ] - [ 0.0019319900000000, -0.0028058300000000, -0.0018766200000000 ] - [ -0.0001111300000000, -0.0002667400000000, -0.0000297100000000 ] - [ -0.0004554300000000, -0.0001111300000000, 0.0003422600000000 ] - [ -0.0002847700000000, -0.0000763600000000, 0.0002002500000000 ] - [ -0.0001723000000000, -0.0001987600000000, 0.0002679200000000 ] - [ 0.0003253600000000, 0.0002282500000000, 0.0029866700000000 ] - [ -0.0029240800000000, -0.0007636600000000, -0.0031716800000000 ] - [ -0.0000753400000000, 0.0003145000000000, 0.0002921100000000 ] - [ -0.0001624900000000, -0.0005920900000000, 0.0000328500000000 ] - [ -0.0002666500000000, 0.0019289300000000, 0.0000353700000000 ] - [ -0.0000817000000000, -0.0008453800000000, 0.0002441600000000 ] - [ 0.0178802500000000, 0.0029705100000000, 0.0092302400000000 ] - [ -0.0052408100000000, -0.0005793100000000, 0.0024413000000000 ] - [ -0.0002465500000000, 0.0001903900000000, 0.0001778700000000 ] - [ -0.0002588200000000, 0.0001399500000000, 0.0002122500000000 ] - [ -0.0002212700000000, 0.0001480800000000, 0.0002465000000000 ] - [ -0.0002994900000000, 0.0001670800000000, 0.0001129300000000 ] - [ 0.0001726000000000, -0.0002186900000000, 0.0000653400000000 ] - [ 0.0003992400000000, -0.0001551200000000, 0.0003079500000000 ] - [ 0.0001243700000000, -0.0001757300000000, 0.0003605300000000 ] - [ 0.0003645200000000, -0.0000156100000000, 0.0000305400000000 ] - [ -0.0014181000000000, -0.0004099800000000, 0.0013046200000000 ] - [ 0.0032214900000000, 0.0009420200000000, -0.0025024800000000 ] - [ -0.0000963800000000, -0.0008562600000000, -0.0002107000000000 ] - [ -0.0001057500000000, 0.0010511300000000, 0.0017096800000000 ] - [ 0.0091402900000000, -0.0045064000000000, -0.0034996700000000 ] - [ -0.0025886700000000, -0.0016297600000000, -0.0003876000000000 ] - [ 0.0002660900000000, 0.0042352200000000, -0.0003927500000000 ] - [ -0.0016499400000000, -0.0024565400000000, 0.0001100900000000 ] - [ 0.0000468300000000, -0.0002973300000000, 0.0001673600000000 ] - [ -0.0000679400000000, -0.0003021700000000, 0.0001980600000000 ] - [ -0.0000043500000000, -0.0002600600000000, 0.0002300400000000 ] - [ -0.0000168100000000, -0.0003462800000000, 0.0001555900000000 ] - [ 0.0024861300000000, -0.0025303000000000, -0.0014887400000000 ] - [ -0.0012082500000000, 0.0013563300000000, 0.0007218600000000 ] - [ -0.0039446400000000, 0.0013514400000000, 0.0004286300000000 ] - [ 0.0074733700000000, 0.0066867200000000, -0.0045515500000000 ] - [ 0.0002800500000000, 0.0001205500000000, 0.0002197700000000 ] - [ 0.0002532700000000, 0.0001753700000000, 0.0001572400000000 ] - [ 0.0002051300000000, 0.0001483800000000, 0.0002318800000000 ] - [ 0.0003300800000000, 0.0001188000000000, 0.0001472100000000 ] - [ -0.0778962500000000, -0.0000000400000000, -0.0000122100000000 ] - [ 0.0108284800000000, 0.0005540500000000, 0.0001871300000000 ] - [ 0.0018419900000000, -0.0057424400000000, -0.0008379000000000 ] - [ 0.0008820100000000, 0.0051882300000000, 0.0006448500000000 ] - [ -0.0001109600000000, 0.0000003700000000, 0.0000015200000000 ] - [ 0.0001120300000000, 0.0000112000000000, 0.0000211300000000 ] - [ 0.0000078700000000, -0.0000703700000000, 0.0000032100000000 ] - [ -0.0000092200000000, 0.0000605800000000, -0.0000174000000000 ] - [ -0.0025668300000000, 0.0004407200000000, -0.0000085600000000 ] - [ 0.0020570900000000, -0.0000965600000000, 0.0002651000000000 ] - [ 0.0001317400000000, -0.0012112100000000, 0.0000784000000000 ] - [ 0.0001306200000000, 0.0010154700000000, -0.0003505600000000 ] - [ -0.0025645900000000, 0.0004389000000000, 0.0000080700000000 ] - [ 0.0020563300000000, -0.0000977100000000, 0.0002634100000000 ] - [ 0.0001307400000000, -0.0012082200000000, 0.0000859300000000 ] - [ 0.0001307100000000, 0.0010139700000000, -0.0003422300000000 ] - [ -0.0000260300000000, 0.0002152000000000, 0.0002741200000000 ] - [ 0.0000312600000000, -0.0001070200000000, -0.0002792100000000 ] - [ 0.0002591000000000, -0.0001084100000000, -0.0000002600000000 ] - [ -0.0002769200000000, 0.0000057100000000, 0.0000016800000000 ] - [ 0.0066352600000000, 0.0053898700000000, -0.0094026500000000 ] - [ 0.0070845200000000, -0.0108554700000000, 0.0117035300000000 ] - [ 0.0024103400000000, 0.0006578700000000, -0.0000043000000000 ] - [ -0.0071748700000000, -0.0030973700000000, -0.0023352400000000 ] - [ -0.0071994000000000, -0.0031512500000000, -0.0023780500000000 ] - [ 0.0024120700000000, 0.0006785900000000, 0.0000018200000000 ] - [ 0.0070931100000000, -0.0109013500000000, 0.0117705900000000 ] - [ 0.0066981500000000, 0.0053356900000000, -0.0093640300000000 ] - [ -0.0002744200000000, 0.0000041100000000, 0.0000070200000000 ] - [ 0.0002602800000000, -0.0001074700000000, 0.0000026200000000 ] - [ 0.0000309100000000, -0.0001084000000000, -0.0002741600000000 ] - [ -0.0000224100000000, 0.0002138000000000, 0.0002775200000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000173000000000, 0.0001368800000000, 0.0011748600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010230200000000 ] - [ 0.0001098900000000, -0.0000834200000000, 0.0011748600000000 ] - [ -0.0001271900000000, -0.0000534600000000, 0.0011748600000000 ] - [ 0.0007223800000000, -0.0042355600000000, 0.0009343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006179500000000 ] - [ -0.0040292900000000, 0.0014921800000000, 0.0009343900000000 ] - [ 0.0033069200000000, 0.0027433800000000, 0.0009343900000000 ] - [ 0.0033257500000000, 0.0027491600000000, 0.0009298700000000 ] - [ -0.0040437200000000, 0.0015056000000000, 0.0009298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006198300000000 ] - [ 0.0007179700000000, -0.0042547600000000, 0.0009298700000000 ] - [ -0.0001241700000000, -0.0000516100000000, 0.0011767400000000 ] - [ 0.0001067800000000, -0.0000817300000000, 0.0011767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010245100000000 ] - [ 0.0000173900000000, 0.0001333400000000, 0.0011767400000000 ] - [ -0.0000043500000000, -0.0001659000000000, -0.0014616400000000 ] - [ 0.0000570100000000, -0.0002260000000000, -0.0015311400000000 ] - [ 0.0000414400000000, -0.0001336100000000, -0.0014479500000000 ] - [ 0.0000014000000000, -0.0001478100000000, -0.0015617800000000 ] - [ 0.0016573500000000, 0.0026149500000000, 0.0023248200000000 ] - [ -0.0013458200000000, 0.0045616900000000, 0.0029535400000000 ] - [ -0.0009539900000000, 0.0004377700000000, 0.0018651300000000 ] - [ -0.0066444700000000, 0.0082046100000000, 0.0113561400000000 ] - [ 0.0011920900000000, -0.0016050700000000, -0.0020758400000000 ] - [ -0.0008725400000000, -0.0001316300000000, -0.0000406500000000 ] - [ -0.0012802500000000, 0.0016757400000000, -0.0026066100000000 ] - [ 0.0005470600000000, 0.0002968700000000, -0.0004463800000000 ] - [ 0.0000319400000000, 0.0001015100000000, -0.0014830700000000 ] - [ 0.0001523000000000, -0.0000201600000000, -0.0013413500000000 ] - [ 0.0004292500000000, -0.0003738700000000, -0.0018850400000000 ] - [ -0.0000714700000000, -0.0001362600000000, -0.0012800100000000 ] - [ -0.0000164400000000, -0.0006222000000000, -0.0004463800000000 ] - [ 0.0003222700000000, 0.0008214500000000, -0.0000406500000000 ] - [ -0.0019860700000000, -0.0002298400000000, -0.0020758400000000 ] - [ 0.0020913600000000, 0.0002708600000000, -0.0026066100000000 ] - [ -0.0000822700000000, 0.0001300300000000, -0.0012800100000000 ] - [ -0.0000936100000000, -0.0001218200000000, -0.0013413500000000 ] - [ 0.0000719400000000, -0.0000784200000000, -0.0014830700000000 ] - [ -0.0005384000000000, -0.0001848100000000, -0.0018850400000000 ] - [ -0.0008111100000000, -0.0019466000000000, -0.0026066100000000 ] - [ 0.0005502600000000, -0.0006898200000000, -0.0000406500000000 ] - [ -0.0005306300000000, 0.0003253400000000, -0.0004463800000000 ] - [ 0.0007939900000000, 0.0018349100000000, -0.0020758400000000 ] - [ 0.0001091500000000, 0.0005586700000000, -0.0018850400000000 ] - [ -0.0000586900000000, 0.0001419800000000, -0.0013413500000000 ] - [ 0.0001537400000000, 0.0000062300000000, -0.0012800100000000 ] - [ -0.0001038800000000, -0.0000230900000000, -0.0014830700000000 ] - [ -0.0001232800000000, 0.0005835100000000, -0.0010976700000000 ] - [ 0.0001344700000000, 0.0006132800000000, -0.0008988000000000 ] - [ -0.0000767900000000, 0.0007416800000000, -0.0009526600000000 ] - [ 0.0000867800000000, 0.0011620200000000, -0.0015012100000000 ] - [ 0.0007722200000000, 0.0024392600000000, -0.0017165800000000 ] - [ -0.0005460300000000, 0.0009306100000000, -0.0000902900000000 ] - [ 0.0005337100000000, -0.0000838300000000, 0.0003171600000000 ] - [ -0.0008293800000000, -0.0013222600000000, -0.0022355600000000 ] - [ -0.0002242300000000, 0.0000636300000000, -0.0015311400000000 ] - [ -0.0001287100000000, 0.0000726900000000, -0.0015617800000000 ] - [ -0.0001364300000000, 0.0000309200000000, -0.0014479500000000 ] - [ -0.0001415000000000, 0.0000867200000000, -0.0014616400000000 ] - [ 0.0046234400000000, -0.0011153300000000, 0.0029535400000000 ] - [ 0.0104276400000000, 0.0016519700000000, 0.0113561400000000 ] - [ 0.0008561100000000, 0.0006072900000000, 0.0018651300000000 ] - [ 0.0014359400000000, -0.0027427800000000, 0.0023248200000000 ] - [ 0.0001273100000000, 0.0000751200000000, -0.0015617800000000 ] - [ 0.0001458500000000, 0.0000791800000000, -0.0014616400000000 ] - [ 0.0000949900000000, 0.0001027000000000, -0.0014479500000000 ] - [ 0.0001672200000000, 0.0001623700000000, -0.0015311400000000 ] - [ -0.0037831700000000, -0.0098565800000000, 0.0113561400000000 ] - [ -0.0030932900000000, 0.0001278300000000, 0.0023248200000000 ] - [ 0.0000978700000000, -0.0010450600000000, 0.0018651300000000 ] - [ -0.0032776300000000, -0.0034463500000000, 0.0029535400000000 ] - [ -0.0010497200000000, -0.0005058600000000, -0.0015012100000000 ] - [ -0.0004437000000000, -0.0003985200000000, -0.0010976700000000 ] - [ -0.0006039200000000, -0.0004373400000000, -0.0009526600000000 ] - [ -0.0005983500000000, -0.0001901900000000, -0.0008988000000000 ] - [ 0.0015598000000000, -0.0000571300000000, -0.0022355600000000 ] - [ -0.0024985700000000, -0.0005508700000000, -0.0017165800000000 ] - [ -0.0001942600000000, 0.0005041200000000, 0.0003171600000000 ] - [ -0.0005329200000000, -0.0009381800000000, -0.0000902900000000 ] - [ 0.0009242300000000, -0.0024159600000000, 0.0027204700000000 ] - [ 0.0003464500000000, 0.0009230300000000, 0.0022638600000000 ] - [ 0.0105111700000000, 0.0019343200000000, 0.0120652400000000 ] - [ 0.0041129900000000, -0.0007957200000000, 0.0033664900000000 ] - [ -0.0006544000000000, 0.0004095300000000, -0.0010778200000000 ] - [ -0.0006507500000000, 0.0003442800000000, -0.0010660200000000 ] - [ -0.0006399700000000, 0.0003923000000000, -0.0011791600000000 ] - [ -0.0007414500000000, 0.0003829600000000, -0.0011475400000000 ] - [ 0.0004638800000000, -0.0004230900000000, -0.0008988000000000 ] - [ 0.0009629500000000, -0.0006561600000000, -0.0015012100000000 ] - [ 0.0006807100000000, -0.0003043400000000, -0.0009526600000000 ] - [ 0.0005669700000000, -0.0001850000000000, -0.0010976700000000 ] - [ 0.0010789500000000, 0.0000075700000000, -0.0000902900000000 ] - [ -0.0007304200000000, 0.0013793900000000, -0.0022355600000000 ] - [ -0.0003394500000000, -0.0004202900000000, 0.0003171600000000 ] - [ 0.0017263600000000, -0.0018883900000000, -0.0017165800000000 ] - [ -0.0069307600000000, 0.0081357800000000, 0.0120652400000000 ] - [ -0.0009726000000000, -0.0001614800000000, 0.0022638600000000 ] - [ -0.0013673800000000, 0.0039598100000000, 0.0033664900000000 ] - [ 0.0016301600000000, 0.0020083900000000, 0.0027204700000000 ] - [ -0.0000197600000000, -0.0007503800000000, -0.0011791600000000 ] - [ 0.0000272200000000, -0.0007357100000000, -0.0010660200000000 ] - [ 0.0000390700000000, -0.0008336000000000, -0.0011475400000000 ] - [ -0.0000274600000000, -0.0007714900000000, -0.0010778200000000 ] - [ -0.0027456100000000, -0.0031640900000000, 0.0033664900000000 ] - [ 0.0006261400000000, -0.0007615500000000, 0.0022638600000000 ] - [ -0.0025544000000000, 0.0004075700000000, 0.0027204700000000 ] - [ -0.0035804100000000, -0.0100701000000000, 0.0120652400000000 ] - [ 0.0007023800000000, 0.0004506300000000, -0.0011475400000000 ] - [ 0.0006235300000000, 0.0003914300000000, -0.0010660200000000 ] - [ 0.0006818600000000, 0.0003619600000000, -0.0010778200000000 ] - [ 0.0006597300000000, 0.0003580800000000, -0.0011791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966381100000000 ] - [ 0.0001905000000000, 0.0008565500000000, -0.0095198900000000 ] - [ -0.0008370400000000, -0.0002633000000000, -0.0095198900000000 ] - [ 0.0006465400000000, -0.0005932500000000, -0.0095198900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033795300000000 ] - [ 0.0000187300000000, -0.0000114200000000, 0.0031700500000000 ] - [ 0.0000005200000000, 0.0000219300000000, 0.0031700500000000 ] - [ -0.0000192600000000, -0.0000105100000000, 0.0031700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066445700000000 ] - [ 0.0002636000000000, 0.0002480700000000, 0.0023379100000000 ] - [ -0.0003466300000000, 0.0001042500000000, 0.0023379100000000 ] - [ 0.0000830300000000, -0.0003523200000000, 0.0023379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066174400000000 ] - [ 0.0002640300000000, 0.0002464900000000, 0.0023473700000000 ] - [ -0.0003454800000000, 0.0001054100000000, 0.0023473700000000 ] - [ 0.0000814500000000, -0.0003519000000000, 0.0023473700000000 ] - [ 0.0003539700000000, 0.0002601900000000, 0.0036277700000000 ] - [ -0.0004023100000000, 0.0001764500000000, 0.0036277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032762800000000 ] - [ 0.0000483400000000, -0.0004366400000000, 0.0036277700000000 ] - [ -0.0118759200000000, -0.0038743000000000, 0.0035441500000000 ] - [ 0.0092932000000000, -0.0083477000000000, 0.0035441500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026332500000000 ] - [ 0.0025827200000000, 0.0122219900000000, 0.0035441500000000 ] - [ 0.0025679800000000, 0.0122666700000000, 0.0035111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026490900000000 ] - [ 0.0093392600000000, -0.0083572700000000, 0.0035111600000000 ] - [ -0.0119072400000000, -0.0039094000000000, 0.0035111600000000 ] - [ 0.0000485000000000, -0.0004342200000000, 0.0036290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032784500000000 ] - [ -0.0004002900000000, 0.0001751100000000, 0.0036290000000000 ] - [ 0.0003517900000000, 0.0002591100000000, 0.0036290000000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0133727500000000, -0.0117873700000000, 0.0015881100000000 ] - [ 0.0134796700000000, 0.0119291100000000, 0.0015967400000000 ] - [ -0.0071110400000000, 0.0000344100000000, -0.0031843900000000 ] - [ 0.0015607000000000, -0.0000066200000000, -0.0000007100000000 ] - [ -0.0000007900000000, -0.0000219400000000, -0.0000008100000000 ] - [ 0.0000020400000000, 0.0000229200000000, 0.0000003200000000 ] - [ -0.0000386300000000, -0.0000005800000000, 0.0000011000000000 ] - [ 0.0000394100000000, 0.0000002200000000, -0.0000003000000000 ] - [ -0.0013209000000000, 0.0000627500000000, 0.0000016500000000 ] - [ 0.0010629600000000, -0.0000551700000000, -0.0001237100000000 ] - [ -0.0000012200000000, -0.0006678400000000, -0.0000032600000000 ] - [ 0.0000007300000000, 0.0005610200000000, 0.0001252900000000 ] - [ -0.0013221900000000, -0.0000624500000000, -0.0000011500000000 ] - [ 0.0010649800000000, 0.0000551600000000, -0.0001205300000000 ] - [ 0.0000013200000000, -0.0005624800000000, 0.0001252000000000 ] - [ -0.0000022500000000, 0.0006671900000000, -0.0000031100000000 ] - [ 0.0283045000000000, 0.0189706100000000, 0.0147651100000000 ] - [ -0.0049852500000000, 0.0010594600000000, 0.0001847300000000 ] - [ -0.0011179800000000, 0.0029300500000000, 0.0003696300000000 ] - [ 0.0002124600000000, -0.0042036300000000, -0.0003559200000000 ] - [ 0.0000761100000000, 0.0002874500000000, -0.0001793300000000 ] - [ -0.0000518800000000, 0.0003036100000000, -0.0002124500000000 ] - [ -0.0000083900000000, 0.0003628200000000, -0.0001490500000000 ] - [ 0.0000302400000000, 0.0002475100000000, -0.0002373900000000 ] - [ -0.0012470500000000, 0.0003850200000000, -0.0004953400000000 ] - [ 0.0012326600000000, -0.0010789500000000, 0.0009347100000000 ] - [ 0.0006737600000000, -0.0008568700000000, -0.0016793400000000 ] - [ -0.0018917800000000, 0.0018001300000000, 0.0015418700000000 ] - [ -0.0007444600000000, 0.0004061900000000, 0.0003134400000000 ] - [ 0.0002937400000000, -0.0000522200000000, -0.0007495900000000 ] - [ -0.0001836200000000, -0.0000328600000000, -0.0000190900000000 ] - [ -0.0003527300000000, 0.0002014500000000, -0.0004006800000000 ] - [ 0.0000277400000000, 0.0008403400000000, -0.0011391800000000 ] - [ -0.0001176900000000, -0.0006101500000000, 0.0000927600000000 ] - [ 0.0027631600000000, 0.0012661700000000, 0.0012546800000000 ] - [ -0.0015081800000000, -0.0002186200000000, -0.0012455300000000 ] - [ 0.0004085500000000, 0.0004914100000000, 0.0000972600000000 ] - [ 0.0000194900000000, -0.0000657600000000, -0.0005199800000000 ] - [ 0.0006916000000000, 0.0002685300000000, -0.0001953700000000 ] - [ -0.0001203500000000, 0.0000349300000000, -0.0001266900000000 ] - [ -0.0000079300000000, 0.0005180300000000, -0.0027486400000000 ] - [ -0.0010824800000000, -0.0014692200000000, 0.0022548300000000 ] - [ 0.0002110900000000, -0.0000419400000000, -0.0001534700000000 ] - [ 0.0000794200000000, 0.0002164900000000, -0.0008508100000000 ] - [ 0.0002487700000000, -0.0004476200000000, 0.0003484900000000 ] - [ -0.0003087100000000, -0.0001595700000000, -0.0006696100000000 ] - [ 0.0000777900000000, -0.0000712900000000, -0.0003830500000000 ] - [ -0.0000590100000000, -0.0005808800000000, -0.0000655700000000 ] - [ 0.0281910100000000, -0.0176873500000000, 0.0146210900000000 ] - [ -0.0050134500000000, -0.0004761600000000, 0.0005913800000000 ] - [ 0.0002005600000000, 0.0048165400000000, 0.0000345000000000 ] - [ -0.0011469500000000, -0.0023238000000000, 0.0007650600000000 ] - [ 0.0000511700000000, 0.0003116200000000, 0.0002087200000000 ] - [ -0.0000711900000000, 0.0002992000000000, 0.0001715100000000 ] - [ 0.0000086000000000, 0.0003540600000000, 0.0001437800000000 ] - [ -0.0000335800000000, 0.0002399900000000, 0.0002333100000000 ] - [ 0.0218395000000000, -0.0180967900000000, 0.0146538900000000 ] - [ -0.0044448500000000, -0.0004320100000000, -0.0010695300000000 ] - [ 0.0005746000000000, 0.0047092700000000, 0.0008533000000000 ] - [ -0.0013039100000000, -0.0029578500000000, -0.0005708500000000 ] - [ 0.0003378700000000, -0.0001614200000000, -0.0001487200000000 ] - [ 0.0001799800000000, -0.0001552600000000, -0.0002264100000000 ] - [ 0.0002652900000000, -0.0001163900000000, -0.0002233700000000 ] - [ 0.0002442400000000, -0.0002034300000000, -0.0001740300000000 ] - [ 0.0543744800000000, -0.0055257200000000, -0.0283143100000000 ] - [ -0.0081582100000000, 0.0001445000000000, -0.0010844500000000 ] - [ -0.0004599400000000, 0.0018234800000000, -0.0002052800000000 ] - [ -0.0006616900000000, -0.0020583900000000, 0.0001172600000000 ] - [ -0.0001996600000000, -0.0001312500000000, -0.0002617400000000 ] - [ -0.0003353000000000, -0.0001549300000000, -0.0001193700000000 ] - [ -0.0002649400000000, -0.0001205000000000, -0.0001948800000000 ] - [ -0.0002653700000000, -0.0001589600000000, -0.0002028900000000 ] - [ 0.0213609900000000, 0.0173447000000000, 0.0146872900000000 ] - [ -0.0049560500000000, 0.0001305500000000, -0.0006686900000000 ] - [ -0.0018149800000000, 0.0026270900000000, -0.0001759500000000 ] - [ 0.0000736200000000, -0.0050462200000000, 0.0012445800000000 ] - [ -0.0001700100000000, -0.0001556100000000, 0.0002385800000000 ] - [ -0.0003326300000000, -0.0001614100000000, 0.0001535300000000 ] - [ -0.0002687000000000, -0.0001180100000000, 0.0002054600000000 ] - [ -0.0002470600000000, -0.0002027900000000, 0.0001570100000000 ] - [ -0.0004906200000000, 0.0003830700000000, -0.0001274500000000 ] - [ -0.0001038700000000, -0.0001697500000000, 0.0004847400000000 ] - [ 0.0001838900000000, 0.0000475500000000, 0.0001990500000000 ] - [ -0.0006307400000000, 0.0002857400000000, 0.0002666500000000 ] - [ -0.0006319500000000, 0.0009308900000000, 0.0004633800000000 ] - [ -0.0004779400000000, -0.0005223200000000, -0.0007564000000000 ] - [ 0.0022500400000000, -0.0009466000000000, 0.0016379900000000 ] - [ -0.0020173300000000, 0.0005398000000000, -0.0008731300000000 ] - [ 0.0579488900000000, 0.0053855700000000, -0.0304313100000000 ] - [ -0.0075723700000000, -0.0004237700000000, -0.0006720100000000 ] - [ -0.0001342200000000, 0.0017830300000000, 0.0005113100000000 ] - [ 0.0000673800000000, -0.0021164200000000, 0.0001850300000000 ] - [ 0.0003303900000000, -0.0001526000000000, 0.0001218300000000 ] - [ 0.0001963600000000, -0.0001294200000000, 0.0002591900000000 ] - [ 0.0002698900000000, -0.0001272100000000, 0.0001747300000000 ] - [ 0.0002692500000000, -0.0001645600000000, 0.0001866200000000 ] - [ -0.0003334300000000, -0.0004370300000000, -0.0002728300000000 ] - [ 0.0002283000000000, -0.0001568000000000, 0.0007375500000000 ] - [ 0.0000542200000000, -0.0005295300000000, 0.0000127000000000 ] - [ -0.0000809500000000, -0.0000208200000000, 0.0003255100000000 ] - [ -0.0011070300000000, 0.0008624900000000, 0.0026246700000000 ] - [ -0.0000246100000000, -0.0011163300000000, -0.0023719000000000 ] - [ 0.0001903800000000, -0.0005606300000000, 0.0002232500000000 ] - [ 0.0000569200000000, -0.0008152300000000, -0.0004716100000000 ] - [ 0.0008249700000000, 0.0003320100000000, -0.0003508800000000 ] - [ -0.0002101700000000, -0.0001172700000000, 0.0006963700000000 ] - [ 0.0003481800000000, 0.0003151300000000, 0.0003730500000000 ] - [ 0.0001794100000000, 0.0000811700000000, -0.0000118200000000 ] - [ 0.0017600200000000, 0.0013666800000000, 0.0013021300000000 ] - [ -0.0007118900000000, -0.0001049400000000, -0.0001204300000000 ] - [ 0.0012067800000000, 0.0011376100000000, -0.0012984600000000 ] - [ -0.0013574900000000, -0.0015122200000000, 0.0019130500000000 ] - [ -0.0000245600000000, 0.0001393200000000, 0.0003523400000000 ] - [ 0.0000314000000000, -0.0001816200000000, -0.0004013300000000 ] - [ 0.0002597300000000, 0.0001079100000000, -0.0000005900000000 ] - [ -0.0002752600000000, -0.0000690100000000, 0.0000489400000000 ] - [ 0.0066670700000000, 0.0111123600000000, -0.0118643200000000 ] - [ 0.0070713300000000, -0.0051393900000000, 0.0093385700000000 ] - [ 0.0024119100000000, -0.0006587700000000, 0.0000073400000000 ] - [ -0.0071784200000000, 0.0026160400000000, 0.0025622400000000 ] - [ 0.0071076200000000, 0.0050982500000000, 0.0092904700000000 ] - [ 0.0066658200000000, -0.0111330700000000, -0.0119229800000000 ] - [ 0.0024117500000000, 0.0006764200000000, -0.0000104600000000 ] - [ -0.0071965200000000, -0.0026547000000000, 0.0025846000000000 ] - [ 0.0000315500000000, 0.0001825000000000, -0.0003975200000000 ] - [ -0.0000246700000000, -0.0001407000000000, 0.0003566700000000 ] - [ 0.0002600900000000, -0.0001080400000000, 0.0000040100000000 ] - [ -0.0002760400000000, 0.0000698700000000, 0.0000517200000000 ] - [ -0.2319252500000000, -0.0004722800000000, 0.0000376900000000 ] - [ 0.0171231200000000, 0.0000024400000000, -0.0006255000000000 ] - [ 0.0024443700000000, -0.0084722700000000, 0.0003091100000000 ] - [ 0.0024431700000000, 0.0084714000000000, 0.0003082400000000 ] - [ -0.0002146700000000, 0.0000000600000000, 0.0000022900000000 ] - [ 0.0002138600000000, 0.0000004700000000, -0.0000181100000000 ] - [ -0.0000027700000000, -0.0001242300000000, 0.0000121100000000 ] - [ -0.0000014900000000, 0.0001258700000000, 0.0000123300000000 ] - [ 0.0009633600000000, -0.0010337900000000, 0.0023567100000000 ] - [ -0.0000970000000000, 0.0016420500000000, -0.0025960100000000 ] - [ -0.0018850500000000, -0.0006056100000000, 0.0002330200000000 ] - [ 0.0018154000000000, -0.0000038900000000, -0.0000039500000000 ] - [ -0.0000893400000000, -0.0016409200000000, -0.0025878000000000 ] - [ 0.0009541300000000, 0.0010337400000000, 0.0023606900000000 ] - [ -0.0018830300000000, 0.0006093800000000, 0.0002334400000000 ] - [ 0.0018131800000000, -0.0000028400000000, 0.0000039100000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015861600000000, 0.0026930100000000, -0.0114947300000000 ] - [ 0.0015391400000000, -0.0027201600000000, -0.0114947300000000 ] - [ -0.0031253000000000, 0.0000271500000000, -0.0114947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032617300000000 ] - [ -0.0000010100000000, -0.0000009300000000, 0.0012571400000000 ] - [ -0.0000003000000000, 0.0000013400000000, 0.0012571400000000 ] - [ 0.0000013100000000, -0.0000004100000000, 0.0012571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012197200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027921200000000 ] - [ -0.0001190000000000, -0.0000489100000000, 0.0008193300000000 ] - [ 0.0001018600000000, -0.0000786000000000, 0.0008193300000000 ] - [ 0.0000171400000000, 0.0001275100000000, 0.0008193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028024300000000 ] - [ -0.0001188100000000, 0.0000488900000000, 0.0008127200000000 ] - [ 0.0000170700000000, -0.0001273400000000, 0.0008127200000000 ] - [ 0.0001017400000000, 0.0000784500000000, 0.0008127200000000 ] - [ 0.0170285800000000, 0.0257997600000000, 0.0351920700000000 ] - [ 0.0013901600000000, 0.0005300100000000, 0.0028163000000000 ] - [ -0.0009587500000000, 0.0022884400000000, 0.0033580000000000 ] - [ 0.0009758900000000, 0.0033817200000000, 0.0047855000000000 ] - [ 0.0000297600000000, -0.0002074800000000, -0.0016870400000000 ] - [ 0.0000172200000000, -0.0001886500000000, -0.0015970400000000 ] - [ 0.0000442600000000, -0.0002299300000000, -0.0016181900000000 ] - [ 0.0000190700000000, -0.0002333700000000, -0.0016191700000000 ] - [ -0.0010565400000000, 0.0005071800000000, -0.0001843800000000 ] - [ 0.0017154600000000, 0.0012099800000000, -0.0034892800000000 ] - [ -0.0003787200000000, -0.0010934500000000, -0.0015121900000000 ] - [ 0.0005368600000000, -0.0006682000000000, -0.0011400900000000 ] - [ 0.0002892700000000, -0.0002351100000000, -0.0014452500000000 ] - [ 0.0000748500000000, -0.0004939200000000, -0.0020607200000000 ] - [ 0.0003647000000000, 0.0002708600000000, -0.0016928700000000 ] - [ -0.0000221100000000, -0.0000649600000000, -0.0013793400000000 ] - [ -0.0007575900000000, 0.0008747000000000, -0.0015121900000000 ] - [ 0.0009675000000000, 0.0006614000000000, -0.0001843800000000 ] - [ 0.0001901400000000, -0.0020906200000000, -0.0034892800000000 ] - [ -0.0008471100000000, -0.0001308400000000, -0.0011400900000000 ] - [ 0.0000522200000000, -0.0004512700000000, -0.0016928700000000 ] - [ -0.0003482500000000, -0.0001329600000000, -0.0014452500000000 ] - [ -0.0004651700000000, 0.0001821400000000, -0.0020607200000000 ] - [ -0.0000452000000000, 0.0000516300000000, -0.0013793400000000 ] - [ -0.0019056000000000, 0.0008806400000000, -0.0034892800000000 ] - [ 0.0011363100000000, 0.0002187400000000, -0.0015121900000000 ] - [ 0.0000890400000000, -0.0011685800000000, -0.0001843800000000 ] - [ 0.0003102400000000, 0.0007990400000000, -0.0011400900000000 ] - [ 0.0003903300000000, 0.0003117800000000, -0.0020607200000000 ] - [ -0.0004169200000000, 0.0001804100000000, -0.0016928700000000 ] - [ 0.0000589800000000, 0.0003680700000000, -0.0014452500000000 ] - [ 0.0000673100000000, 0.0000133300000000, -0.0013793400000000 ] - [ 0.0162278800000000, -0.0239236300000000, 0.0349841400000000 ] - [ 0.0013621400000000, 0.0000782200000000, 0.0032067900000000 ] - [ 0.0009476600000000, -0.0027609700000000, 0.0051662500000000 ] - [ -0.0009820000000000, -0.0016752000000000, 0.0037434500000000 ] - [ 0.0000069500000000, 0.0008106700000000, -0.0013090800000000 ] - [ -0.0000026700000000, 0.0007969500000000, -0.0012198800000000 ] - [ -0.0000039000000000, 0.0008377800000000, -0.0012441600000000 ] - [ 0.0000239800000000, 0.0008326700000000, -0.0012374800000000 ] - [ 0.0138289600000000, -0.0276470600000000, 0.0351920700000000 ] - [ 0.0024612200000000, -0.0003139100000000, 0.0033580000000000 ] - [ 0.0024407100000000, -0.0025360100000000, 0.0047855000000000 ] - [ -0.0002360700000000, -0.0014689200000000, 0.0028163000000000 ] - [ -0.0001945700000000, 0.0000779600000000, -0.0016870400000000 ] - [ -0.0002212600000000, 0.0000766400000000, -0.0016181900000000 ] - [ -0.0002116400000000, 0.0001001700000000, -0.0016191700000000 ] - [ -0.0001719800000000, 0.0000794200000000, -0.0015970400000000 ] - [ -0.0308575300000000, 0.0018473000000000, 0.0351920700000000 ] - [ -0.0034166000000000, -0.0008457100000000, 0.0047855000000000 ] - [ -0.0011540900000000, 0.0009389100000000, 0.0028163000000000 ] - [ -0.0015024700000000, -0.0019745200000000, 0.0033580000000000 ] - [ 0.0001648000000000, 0.0001295200000000, -0.0016870400000000 ] - [ 0.0001925700000000, 0.0001332000000000, -0.0016191700000000 ] - [ 0.0001547700000000, 0.0001092300000000, -0.0015970400000000 ] - [ 0.0001770000000000, 0.0001533000000000, -0.0016181900000000 ] - [ 0.0126045300000000, 0.0260155700000000, 0.0349841400000000 ] - [ 0.0019417700000000, -0.0000128400000000, 0.0037434500000000 ] - [ -0.0007488100000000, 0.0011405400000000, 0.0032067900000000 ] - [ 0.0019172400000000, 0.0022011900000000, 0.0051662500000000 ] - [ -0.0007055300000000, -0.0003993200000000, -0.0013090800000000 ] - [ -0.0007331000000000, -0.0003955700000000, -0.0012374800000000 ] - [ -0.0006888400000000, -0.0004007900000000, -0.0012198800000000 ] - [ -0.0007235900000000, -0.0004222600000000, -0.0012441600000000 ] - [ -0.0008595400000000, 0.0004532700000000, -0.0010441800000000 ] - [ -0.0004609400000000, 0.0007660800000000, -0.0012896500000000 ] - [ -0.0009731200000000, 0.0001436300000000, -0.0016510300000000 ] - [ -0.0005602200000000, 0.0002747300000000, -0.0009779400000000 ] - [ 0.0004636900000000, -0.0003450800000000, 0.0001882200000000 ] - [ -0.0012706300000000, -0.0005646900000000, -0.0011422300000000 ] - [ -0.0003186900000000, 0.0024353000000000, -0.0031517200000000 ] - [ -0.0013687200000000, 0.0004527400000000, -0.0007829300000000 ] - [ -0.0288324100000000, -0.0020919400000000, 0.0349841400000000 ] - [ -0.0028649000000000, 0.0005597900000000, 0.0051662500000000 ] - [ -0.0009597600000000, 0.0016880400000000, 0.0037434500000000 ] - [ -0.0006133300000000, -0.0012187600000000, 0.0032067900000000 ] - [ 0.0006985900000000, -0.0004113500000000, -0.0013090800000000 ] - [ 0.0007274900000000, -0.0004155200000000, -0.0012441600000000 ] - [ 0.0007091200000000, -0.0004371000000000, -0.0012374800000000 ] - [ 0.0006915200000000, -0.0003961600000000, -0.0012198800000000 ] - [ -0.0004329700000000, -0.0007822200000000, -0.0012896500000000 ] - [ 0.0003621700000000, -0.0009145600000000, -0.0016510300000000 ] - [ 0.0000372300000000, -0.0009710200000000, -0.0010441800000000 ] - [ 0.0000421900000000, -0.0006225300000000, -0.0009779400000000 ] - [ 0.0011243600000000, -0.0008180500000000, -0.0011422300000000 ] - [ -0.0019496800000000, -0.0014936400000000, -0.0031517200000000 ] - [ 0.0000670000000000, 0.0005741000000000, 0.0001882200000000 ] - [ 0.0002922800000000, -0.0014117100000000, -0.0007829300000000 ] - [ 0.0006109500000000, 0.0007709300000000, -0.0016510300000000 ] - [ 0.0008223100000000, 0.0005177500000000, -0.0010441800000000 ] - [ 0.0008939100000000, 0.0000161500000000, -0.0012896500000000 ] - [ 0.0005180300000000, 0.0003478000000000, -0.0009779400000000 ] - [ 0.0022683700000000, -0.0009416600000000, -0.0031517200000000 ] - [ -0.0005306900000000, -0.0002290300000000, 0.0001882200000000 ] - [ 0.0001462800000000, 0.0013827500000000, -0.0011422300000000 ] - [ 0.0010764400000000, 0.0009589700000000, -0.0007829300000000 ] - [ 0.0002731400000000, 0.0001609300000000, 0.0036261500000000 ] - [ -0.0002759400000000, 0.0001560800000000, 0.0036261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032776000000000 ] - [ 0.0000028000000000, -0.0003170100000000, 0.0036261500000000 ] - [ -0.0094064900000000, -0.0081424000000000, 0.0035185400000000 ] - [ 0.0117547700000000, -0.0040750600000000, 0.0035185400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026461400000000 ] - [ -0.0023482800000000, 0.0122174600000000, 0.0035185400000000 ] - [ 0.0117203200000000, 0.0040392100000000, 0.0035370800000000 ] - [ -0.0093582200000000, 0.0081304900000000, 0.0035370800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026354800000000 ] - [ -0.0023621000000000, -0.0121697000000000, 0.0035370800000000 ] - [ -0.0002788300000000, -0.0001577900000000, 0.0036318200000000 ] - [ 0.0002760600000000, -0.0001625800000000, 0.0036318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032829900000000 ] - [ 0.0000027600000000, 0.0003203700000000, 0.0036318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2102601200000000 ] - [ -0.0006210400000000, -0.0000007300000000, -0.0116453000000000 ] - [ 0.0003111500000000, -0.0005374700000000, -0.0116453000000000 ] - [ 0.0003098900000000, 0.0005382000000000, -0.0116453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040624300000000 ] - [ -0.0000216400000000, 0.0000000800000000, 0.0038334800000000 ] - [ 0.0000107500000000, -0.0000187800000000, 0.0038334800000000 ] - [ 0.0000108900000000, 0.0000187000000000, 0.0038334800000000 ] - [ 0.0023525500000000, -0.0016245500000000, 0.0042848900000000 ] - [ -0.0025831700000000, -0.0012250900000000, 0.0042848900000000 ] - [ 0.0002306200000000, 0.0028496400000000, 0.0042848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025306600000000 ] - [ -0.0026023400000000, 0.0012285500000000, 0.0042918900000000 ] - [ 0.0023651300000000, 0.0016394200000000, 0.0042918900000000 ] - [ 0.0002372100000000, -0.0028679700000000, 0.0042918900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025218000000000 ]