# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a25f649a-6b41-49ef-ad1c-4070dc0634f9/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 KClO3 / R3m (160) / materials id 550506](https://mdr.nims.go.jp/datasets/cdc9116f-0923-4363-98fc-5ceb622ed6fd) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.877113566666670, 1.661102296666665, 2.863058013333330 ] # a - [ -2.877113573333331, 1.661102296666665, 2.863058013333330 ] # b - [ 0.000000006666669, -3.322204593333335, 2.863058013333330 ] # c points: - symbol: O # 1 coordinates: [ 0.832996360000000, 0.414731510000001, 0.414731500000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.414731500000000, 0.414731510000001, 0.832996360000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.414731500000000, 0.832996370000001, 0.414731500000000 ] mass: 15.999400 - symbol: K # 4 coordinates: [ 0.974993400000000, 0.974993410000002, 0.974993400000000 ] mass: 39.098300 - symbol: Cl # 5 coordinates: [ 0.487511230000000, 0.487511240000000, 0.487511230000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.173785284395291, 0.100334980922247, 0.116425630141266 ] # a* - [ -0.173785284395291, 0.100334980224777, 0.116425630141266 ] # b* - [ 0.000000000000000, -0.200669961147025, 0.116425630141266 ] # c*unit_cell: lattice: - [ 5.754227140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.877113580000000, 4.983306890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.589174040000000 ] # c points: - symbol: O # 1 coordinates: [ 0.612176570000000, 0.806088290000000, 0.220819790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.193911710000000, 0.387823430000000, 0.220819790000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.193911710000000, 0.806088290000000, 0.220819790000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.278843240000000, 0.139421630000000, 0.554153120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.860578370000000, 0.721156760000000, 0.554153120000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 6 coordinates: [ 0.860578370000000, 0.139421630000000, 0.554153120000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 7 coordinates: [ 0.945509910000000, 0.472754960000000, 0.887486460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.527245040000000, 0.054490090000000, 0.887486460000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.527245040000000, 0.472754960000000, 0.887486460000000 ] mass: 15.999400 reduced_to: 3 - symbol: K # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.641660070000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.974993400000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.308326730000000 ] mass: 39.098300 reduced_to: 10 - symbol: Cl # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.154177900000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.487511240000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.820844570000000 ] mass: 35.453000 reduced_to: 13supercell: lattice: - [ 11.508454280000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.754227160000000, 9.966613779999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.178348079999999 ] # c points: - symbol: O # 1 coordinates: [ 0.306088285000000, 0.403044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.806088285000000, 0.403044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.306088285000000, 0.903044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.806088285000000, 0.903044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.306088285000000, 0.403044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.806088285000000, 0.403044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.306088285000000, 0.903044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.806088285000000, 0.903044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.096955855000000, 0.193911715000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.596955855000000, 0.193911715000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.096955855000000, 0.693911715000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.596955855000000, 0.693911715000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.096955855000000, 0.193911715000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 14 coordinates: [ 0.596955855000000, 0.193911715000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 15 coordinates: [ 0.096955855000000, 0.693911715000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 16 coordinates: [ 0.596955855000000, 0.693911715000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 17 coordinates: [ 0.096955855000000, 0.403044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.596955855000000, 0.403044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.096955855000000, 0.903044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.596955855000000, 0.903044145000000, 0.110409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.096955855000000, 0.403044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.596955855000000, 0.403044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 23 coordinates: [ 0.096955855000000, 0.903044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.596955855000000, 0.903044145000000, 0.610409895000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 25 coordinates: [ 0.139421620000000, 0.069710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.639421620000000, 0.069710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.139421620000000, 0.569710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.639421620000000, 0.569710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.139421620000000, 0.069710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.639421620000000, 0.069710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 31 coordinates: [ 0.139421620000000, 0.569710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 32 coordinates: [ 0.639421620000000, 0.569710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 33 coordinates: [ 0.430289185000000, 0.360578380000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.930289185000000, 0.360578380000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.430289185000000, 0.860578380000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.930289185000000, 0.860578380000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.430289185000000, 0.360578380000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.930289185000000, 0.360578380000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 39 coordinates: [ 0.430289185000000, 0.860578380000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 40 coordinates: [ 0.930289185000000, 0.860578380000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 41 coordinates: [ 0.430289185000000, 0.069710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.930289185000000, 0.069710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.430289185000000, 0.569710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.930289185000000, 0.569710815000000, 0.277076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.430289185000000, 0.069710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 46 coordinates: [ 0.930289185000000, 0.069710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 47 coordinates: [ 0.430289185000000, 0.569710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 48 coordinates: [ 0.930289185000000, 0.569710815000000, 0.777076560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 49 coordinates: [ 0.472754955000000, 0.236377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.972754955000000, 0.236377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.472754955000000, 0.736377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.972754955000000, 0.736377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.472754955000000, 0.236377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.972754955000000, 0.236377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.472754955000000, 0.736377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 56 coordinates: [ 0.972754955000000, 0.736377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 57 coordinates: [ 0.263622520000000, 0.027245045000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.763622520000000, 0.027245045000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.263622520000000, 0.527245045000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.763622520000000, 0.527245045000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.263622520000000, 0.027245045000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 62 coordinates: [ 0.763622520000000, 0.027245045000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 63 coordinates: [ 0.263622520000000, 0.527245045000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 64 coordinates: [ 0.763622520000000, 0.527245045000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 65 coordinates: [ 0.263622520000000, 0.236377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.763622520000000, 0.236377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.263622520000000, 0.736377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.763622520000000, 0.736377480000000, 0.443743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.263622520000000, 0.236377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 70 coordinates: [ 0.763622520000000, 0.236377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 71 coordinates: [ 0.263622520000000, 0.736377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 72 coordinates: [ 0.763622520000000, 0.736377480000000, 0.943743230000000 ] mass: 15.999400 reduced_to: 17 - symbol: K # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.320830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.320830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.320830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.320830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 77 coordinates: [ 0.166666665000000, 0.333333335000000, 0.820830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 78 coordinates: [ 0.666666665000000, 0.333333335000000, 0.820830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 79 coordinates: [ 0.166666665000000, 0.833333335000000, 0.820830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 80 coordinates: [ 0.666666665000000, 0.833333335000000, 0.820830035000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.487496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.487496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.487496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.487496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.987496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.987496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.987496700000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.154163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.154163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.154163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.154163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 93 coordinates: [ 0.333333335000000, 0.166666665000000, 0.654163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 94 coordinates: [ 0.833333335000000, 0.166666665000000, 0.654163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 95 coordinates: [ 0.333333335000000, 0.666666665000000, 0.654163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 96 coordinates: [ 0.833333335000000, 0.666666665000000, 0.654163365000000 ] mass: 39.098300 reduced_to: 73 - symbol: Cl # 97 coordinates: [ 0.166666665000000, 0.333333335000000, 0.077088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 98 coordinates: [ 0.666666665000000, 0.333333335000000, 0.077088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 99 coordinates: [ 0.166666665000000, 0.833333335000000, 0.077088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 100 coordinates: [ 0.666666665000000, 0.833333335000000, 0.077088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 101 coordinates: [ 0.166666665000000, 0.333333335000000, 0.577088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 102 coordinates: [ 0.666666665000000, 0.333333335000000, 0.577088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 103 coordinates: [ 0.166666665000000, 0.833333335000000, 0.577088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 104 coordinates: [ 0.666666665000000, 0.833333335000000, 0.577088950000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.243755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.243755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.243755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.243755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.743755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.743755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.743755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.743755620000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.410422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.410422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.410422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.410422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 117 coordinates: [ 0.333333335000000, 0.166666665000000, 0.910422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 118 coordinates: [ 0.833333335000000, 0.166666665000000, 0.910422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 119 coordinates: [ 0.333333335000000, 0.666666665000000, 0.910422285000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 120 coordinates: [ 0.833333335000000, 0.666666665000000, 0.910422285000000 ] mass: 35.453000 reduced_to: 97born_effective_charge:- # 1 (O) - [ -1.681232840000000, -0.522266110000000, -0.566508910000000 ] - [ -0.522266110000000, -1.078171890000000, -0.327074070000000 ] - [ -0.082036230000000, -0.047363640000000, -0.701306580000000 ]- # 2 (O) - [ -0.776641408704322, 0.000000002617552, 0.000000002012548 ] - [ 0.000000004652072, -1.982763321295678, 0.654148141212208 ] - [ -0.000000000535595, 0.094727279401566, -0.701306580000000 ]- # 3 (O) - [ -1.681232846295677, 0.522266107961156, 0.566508907987453 ] - [ 0.522266104769220, -1.078171883704321, -0.327074071212208 ] - [ 0.082036230535597, -0.047363639401567, -0.701306580000001 ]- # 4 (K) - [ 1.276920360000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.276920350000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.130713140000000 ]- # 5 (Cl) - [ 2.862186730000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.862186730000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 0.973206580000000 ]dielectric_constant: - [ 2.589999120000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.589999120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.204766440000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2363338900000000, -0.1005947600000000, -0.0787829000000000 ] - [ 0.0040834600000000, 0.0008738200000000, 0.0011703400000000 ] - [ -0.0008055400000000, -0.0009701000000000, -0.0003628300000000 ] - [ 0.0017657800000000, 0.0022122000000000, 0.0007773800000000 ] - [ -0.0001820500000000, -0.0000937400000000, 0.0000624700000000 ] - [ 0.0000570100000000, -0.0000007900000000, 0.0001491900000000 ] - [ -0.0000724200000000, -0.0000558700000000, 0.0001081800000000 ] - [ -0.0000007400000000, 0.0000302500000000, 0.0001349100000000 ] - [ -0.0008627400000000, 0.0108902000000000, -0.0036186400000000 ] - [ 0.0012894400000000, -0.0005350000000000, 0.0001917100000000 ] - [ -0.0000095600000000, -0.0012836400000000, 0.0005390200000000 ] - [ 0.0006059700000000, 0.0040743000000000, -0.0010811900000000 ] - [ -0.0000424900000000, 0.0000105500000000, 0.0001324800000000 ] - [ 0.0000452700000000, 0.0000354400000000, 0.0001230900000000 ] - [ -0.0000035400000000, 0.0000035400000000, 0.0001370000000000 ] - [ 0.0000065000000000, 0.0001769800000000, 0.0000676300000000 ] - [ 0.0355168300000000, 0.0104006300000000, 0.0088353700000000 ] - [ 0.0052198700000000, -0.0014059800000000, -0.0014071400000000 ] - [ -0.0003119300000000, -0.0003882000000000, 0.0001084800000000 ] - [ -0.0003131500000000, 0.0011122300000000, 0.0003435500000000 ] - [ -0.0000516900000000, -0.0000079500000000, 0.0001512700000000 ] - [ 0.0001694200000000, -0.0000790100000000, 0.0000637000000000 ] - [ 0.0000357800000000, -0.0000389500000000, 0.0001173100000000 ] - [ 0.0000375200000000, 0.0000166200000000, 0.0001250500000000 ] - [ -0.0010982000000000, -0.0003148400000000, -0.0005220600000000 ] - [ 0.0007061300000000, 0.0003051000000000, 0.0001376000000000 ] - [ -0.0000787800000000, -0.0005957800000000, -0.0007945400000000 ] - [ 0.0020966300000000, 0.0014471600000000, 0.0024305600000000 ] - [ -0.0002624100000000, -0.0000988700000000, 0.0000163400000000 ] - [ 0.0002493300000000, 0.0001185500000000, 0.0003002700000000 ] - [ -0.0001082100000000, -0.0001277100000000, 0.0001466600000000 ] - [ 0.0000296700000000, 0.0000404900000000, -0.0000629700000000 ] - [ 0.0007621100000000, 0.0007885500000000, 0.0021368400000000 ] - [ 0.0005127800000000, -0.0005697400000000, -0.0006842200000000 ] - [ 0.0000647100000000, -0.0000090700000000, 0.0001065800000000 ] - [ -0.0001188400000000, 0.0009632800000000, -0.0006731100000000 ] - [ -0.0000272200000000, 0.0000685400000000, -0.0001286900000000 ] - [ 0.0000440100000000, -0.0002027300000000, 0.0003816200000000 ] - [ 0.0000401200000000, 0.0000835200000000, 0.0000789700000000 ] - [ -0.0000407300000000, 0.0001550800000000, 0.0000948800000000 ] - [ 0.0007745100000000, -0.0004605900000000, 0.0001355100000000 ] - [ -0.0005650500000000, 0.0007227000000000, -0.0004366600000000 ] - [ -0.0006139300000000, 0.0008036400000000, 0.0017541700000000 ] - [ 0.0013013300000000, -0.0007523900000000, -0.0009234300000000 ] - [ 0.0002430300000000, -0.0001210800000000, -0.0000418000000000 ] - [ -0.0002301900000000, 0.0001559200000000, 0.0003787700000000 ] - [ -0.0001119500000000, 0.0000521000000000, -0.0000035000000000 ] - [ 0.0001910900000000, -0.0001340200000000, 0.0000931700000000 ] - [ -0.0001142700000000, -0.0001890300000000, 0.0002169500000000 ] - [ 0.0000310500000000, 0.0000414200000000, 0.0000030200000000 ] - [ -0.0002684300000000, -0.0000440700000000, 0.0001411000000000 ] - [ 0.0002442800000000, 0.0001158000000000, 0.0001880300000000 ] - [ -0.0000932900000000, -0.0009022400000000, -0.0007156700000000 ] - [ 0.0020980300000000, 0.0014457400000000, 0.0023837500000000 ] - [ -0.0011076500000000, -0.0000248300000000, -0.0005865500000000 ] - [ 0.0007034800000000, 0.0003037200000000, 0.0004892600000000 ] - [ -0.0000515600000000, -0.0002576600000000, 0.0002732500000000 ] - [ 0.0000557400000000, 0.0002185300000000, -0.0000229200000000 ] - [ -0.0001719500000000, -0.0000157300000000, 0.0001622800000000 ] - [ 0.0001747600000000, 0.0001726200000000, 0.0001251500000000 ] - [ -0.0001565900000000, -0.0009558700000000, 0.0003465100000000 ] - [ 0.0004108000000000, 0.0012665300000000, -0.0001915500000000 ] - [ -0.0012925400000000, -0.0004214900000000, 0.0002098800000000 ] - [ 0.0008190100000000, 0.0004400600000000, -0.0001829300000000 ] - [ -0.0001107500000000, -0.0001157400000000, 0.0002258800000000 ] - [ 0.0001929600000000, -0.0000233100000000, -0.0000159100000000 ] - [ -0.0002296000000000, 0.0000453200000000, 0.0002043000000000 ] - [ 0.0002523000000000, 0.0000290300000000, 0.0001162000000000 ] - [ -0.0006125500000000, -0.0015702800000000, -0.0014216600000000 ] - [ 0.0013002700000000, -0.0001409000000000, -0.0001085900000000 ] - [ -0.0005587400000000, -0.0000556800000000, 0.0003551300000000 ] - [ 0.0007762000000000, 0.0004098700000000, -0.0002025000000000 ] - [ 0.0014368800000000, 0.0004330500000000, 0.0001454100000000 ] - [ -0.0008836100000000, 0.0001068600000000, -0.0005349300000000 ] - [ 0.0001646300000000, 0.0002812300000000, -0.0001834100000000 ] - [ -0.0001834600000000, -0.0006966800000000, -0.0004930600000000 ] - [ 0.0005352300000000, 0.0001463600000000, -0.0007032600000000 ] - [ -0.0004524400000000, 0.0001069400000000, -0.0003126300000000 ] - [ 0.0000123800000000, 0.0001353100000000, -0.0003186400000000 ] - [ -0.0000171300000000, -0.0003765200000000, -0.0003866300000000 ] - [ 0.0000622400000000, -0.0000178000000000, -0.0002706000000000 ] - [ -0.0000611000000000, -0.0000106600000000, -0.0003921700000000 ] - [ -0.0000069600000000, 0.0000508000000000, -0.0002024300000000 ] - [ 0.0000063200000000, -0.0000254600000000, -0.0006892800000000 ] - [ 0.0005917100000000, -0.0015826000000000, -0.0015912500000000 ] - [ -0.0003912400000000, 0.0000239600000000, -0.0001922700000000 ] - [ -0.0017637700000000, 0.0015639300000000, -0.0023195000000000 ] - [ -0.0001310700000000, -0.0007433600000000, 0.0003772400000000 ] - [ 0.0004538500000000, 0.0027221400000000, -0.0010687800000000 ] - [ -0.0029206200000000, -0.0022508300000000, 0.0008977100000000 ] - [ 0.0034371800000000, -0.0008726300000000, -0.0005839800000000 ] - [ -0.0009031600000000, -0.0004676800000000, -0.0003748700000000 ] - [ 0.0000164300000000, 0.0000528400000000, -0.0003559900000000 ] - [ -0.0000171100000000, -0.0000208000000000, -0.0004397700000000 ] - [ 0.0000635500000000, -0.0000061800000000, -0.0003820500000000 ] - [ -0.0000636400000000, -0.0000255800000000, -0.0003736500000000 ] - [ 0.1975047600000000, 0.0792903100000000, 0.0740913600000000 ] - [ -0.0066074700000000, 0.0011066800000000, 0.0005907500000000 ] - [ 0.0010851700000000, 0.0018662300000000, -0.0002607700000000 ] - [ -0.0010091900000000, -0.0048600500000000, 0.0004976000000000 ] - [ 0.0002092700000000, 0.0000701600000000, 0.0000232500000000 ] - [ -0.0002105400000000, 0.0000324500000000, 0.0000250000000000 ] - [ 0.0000317800000000, 0.0000681300000000, 0.0000154200000000 ] - [ -0.0000319900000000, -0.0001736300000000, 0.0000340400000000 ] - [ 0.0015851400000000, -0.0014177700000000, 0.0018199600000000 ] - [ -0.0012504900000000, 0.0001109400000000, 0.0000355900000000 ] - [ -0.0017977800000000, 0.0018762900000000, 0.0022950100000000 ] - [ -0.0018387800000000, -0.0029976300000000, -0.0042063000000000 ] - [ 0.0003992100000000, -0.0001455200000000, -0.0000559500000000 ] - [ -0.0003813100000000, -0.0000619200000000, 0.0000443600000000 ] - [ -0.0000755100000000, 0.0003393900000000, -0.0000887800000000 ] - [ 0.0000735900000000, -0.0001214900000000, 0.0002413100000000 ] - [ 0.0002348000000000, 0.0005302100000000, -0.0003151600000000 ] - [ -0.0002495400000000, -0.0002097500000000, 0.0004456500000000 ] - [ 0.0006095100000000, -0.0000029900000000, -0.0001012400000000 ] - [ -0.0006092200000000, -0.0002879000000000, 0.0000027900000000 ] - [ -0.0002343700000000, 0.0019848400000000, 0.0010629800000000 ] - [ -0.0024966400000000, -0.0015975000000000, -0.0001422700000000 ] - [ 0.0014734200000000, 0.0002709200000000, 0.0005123900000000 ] - [ -0.0012929300000000, -0.0006694400000000, 0.0001830600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2473236600000000, 0.1074450800000000, 0.0846774400000000 ] - [ -0.0041880700000000, -0.0009359500000000, -0.0009908300000000 ] - [ 0.0007023600000000, 0.0009005200000000, 0.0005424200000000 ] - [ -0.0018647000000000, -0.0022709200000000, -0.0005952500000000 ] - [ 0.0000789300000000, 0.0000324600000000, 0.0001163500000000 ] - [ -0.0001640800000000, -0.0000594800000000, 0.0000301800000000 ] - [ -0.0000353100000000, -0.0000104000000000, 0.0000711900000000 ] - [ -0.0001022100000000, -0.0000974300000000, 0.0000447100000000 ] - [ 0.0009827200000000, -0.0107605500000000, 0.0037339900000000 ] - [ -0.0012868300000000, 0.0006526700000000, -0.0000080600000000 ] - [ 0.0000151800000000, 0.0014080600000000, -0.0003587500000000 ] - [ -0.0006079700000000, -0.0039472700000000, 0.0012608800000000 ] - [ 0.0000455900000000, 0.0001104400000000, 0.0000485700000000 ] - [ -0.0000438400000000, 0.0000918400000000, 0.0000578500000000 ] - [ 0.0000036700000000, 0.0001167300000000, 0.0000447500000000 ] - [ -0.0000015300000000, -0.0000568500000000, 0.0001134600000000 ] - [ -0.0368382900000000, -0.0107725500000000, -0.0090483000000000 ] - [ -0.0051084800000000, 0.0013523500000000, 0.0015894800000000 ] - [ 0.0004134000000000, 0.0003275700000000, 0.0000717200000000 ] - [ 0.0004085500000000, -0.0011736500000000, -0.0001610400000000 ] - [ 0.0001497800000000, -0.0000469900000000, 0.0000312700000000 ] - [ -0.0000665500000000, 0.0000229100000000, 0.0001156500000000 ] - [ 0.0000652900000000, -0.0000233500000000, 0.0000615400000000 ] - [ 0.0000665900000000, -0.0000785300000000, 0.0000553800000000 ] - [ 0.0010333800000000, 0.0002789200000000, 0.0007011700000000 ] - [ -0.0007735900000000, -0.0003489600000000, 0.0000422600000000 ] - [ 0.0000302200000000, 0.0005594200000000, 0.0009777600000000 ] - [ -0.0021575400000000, -0.0014837800000000, -0.0022313200000000 ] - [ 0.0001985900000000, 0.0000566500000000, 0.0001615300000000 ] - [ -0.0003180700000000, -0.0001619100000000, -0.0001260200000000 ] - [ 0.0000433800000000, 0.0000874800000000, 0.0000330500000000 ] - [ -0.0000970300000000, -0.0000830100000000, 0.0002379000000000 ] - [ -0.0007604700000000, -0.0007014200000000, -0.0019408200000000 ] - [ -0.0005056800000000, 0.0006549600000000, 0.0008685700000000 ] - [ -0.0000634400000000, 0.0000754600000000, 0.0000745500000000 ] - [ 0.0001248600000000, -0.0008828300000000, 0.0008554000000000 ] - [ 0.0000303600000000, 0.0000144500000000, 0.0003065400000000 ] - [ -0.0000408200000000, 0.0002867800000000, -0.0002041400000000 ] - [ -0.0000385200000000, -0.0000117100000000, 0.0001016800000000 ] - [ 0.0000451900000000, -0.0000830400000000, 0.0000836600000000 ] - [ -0.0007053300000000, 0.0004175900000000, 0.0000426300000000 ] - [ 0.0006357300000000, -0.0007581400000000, 0.0006140500000000 ] - [ 0.0006662400000000, -0.0008463000000000, -0.0015800600000000 ] - [ -0.0012309500000000, 0.0007167600000000, 0.0011066500000000 ] - [ -0.0001789200000000, 0.0000821500000000, 0.0002173400000000 ] - [ 0.0002979100000000, -0.0001954200000000, -0.0002033200000000 ] - [ 0.0001794000000000, -0.0000911600000000, 0.0001808000000000 ] - [ -0.0001229100000000, 0.0000960300000000, 0.0000809500000000 ] - [ 0.0000372300000000, 0.0001437000000000, -0.0000050000000000 ] - [ -0.0000989000000000, -0.0000834700000000, 0.0002098500000000 ] - [ 0.0001947800000000, -0.0000049000000000, 0.0000717100000000 ] - [ -0.0003212900000000, -0.0001638700000000, 0.0000223600000000 ] - [ 0.0000181200000000, 0.0008558500000000, 0.0009212800000000 ] - [ -0.0021610500000000, -0.0014877800000000, -0.0021707300000000 ] - [ 0.0010232700000000, -0.0000330200000000, 0.0007947600000000 ] - [ -0.0007734600000000, -0.0003482700000000, -0.0002762600000000 ] - [ 0.0000523600000000, 0.0003435100000000, -0.0000602300000000 ] - [ -0.0000503200000000, -0.0001334900000000, 0.0002376400000000 ] - [ 0.0001748000000000, 0.0000992100000000, 0.0000504300000000 ] - [ -0.0001719300000000, -0.0000806700000000, 0.0000880700000000 ] - [ 0.0001574300000000, 0.0010373100000000, -0.0001329000000000 ] - [ -0.0004066400000000, -0.0011878900000000, 0.0004069700000000 ] - [ 0.0013060000000000, 0.0004689000000000, 0.0000416500000000 ] - [ -0.0008150800000000, -0.0003501800000000, 0.0003930500000000 ] - [ 0.0001848300000000, 0.0000726900000000, -0.0000178700000000 ] - [ -0.0001200400000000, -0.0000152300000000, 0.0002284000000000 ] - [ 0.0003004600000000, -0.0000895000000000, 0.0000067900000000 ] - [ -0.0001735800000000, -0.0000750600000000, 0.0000945600000000 ] - [ 0.0006682300000000, 0.0015382800000000, 0.0016371100000000 ] - [ -0.0012282300000000, 0.0001005000000000, 0.0003160500000000 ] - [ 0.0006425500000000, 0.0000019900000000, -0.0001504200000000 ] - [ -0.0007016500000000, -0.0004517600000000, 0.0004135000000000 ] - [ -0.0014423000000000, -0.0004361700000000, -0.0008118000000000 ] - [ 0.0008837200000000, -0.0001082200000000, -0.0001543600000000 ] - [ -0.0001641300000000, -0.0002807100000000, -0.0005040000000000 ] - [ 0.0001827100000000, 0.0006980900000000, -0.0001934100000000 ] - [ -0.0005367100000000, -0.0001504700000000, 0.0000160600000000 ] - [ 0.0004522300000000, -0.0001073400000000, -0.0003697300000000 ] - [ -0.0000151600000000, -0.0001339200000000, -0.0003673400000000 ] - [ 0.0000196200000000, 0.0003779300000000, -0.0002982800000000 ] - [ -0.0000640500000000, 0.0000184900000000, -0.0004230300000000 ] - [ 0.0000614100000000, 0.0000111900000000, -0.0003024300000000 ] - [ 0.0000070100000000, -0.0000519800000000, -0.0004919700000000 ] - [ -0.0000068000000000, 0.0000258200000000, -0.0000052200000000 ] - [ -0.0005923300000000, 0.0015780400000000, 0.0008931000000000 ] - [ 0.0003917200000000, -0.0000172400000000, -0.0004999200000000 ] - [ 0.0017591600000000, -0.0015743500000000, 0.0016391500000000 ] - [ 0.0002099500000000, 0.0007837600000000, -0.0011611700000000 ] - [ -0.0004071000000000, -0.0027723100000000, 0.0003813600000000 ] - [ 0.0029158600000000, 0.0022652000000000, -0.0016026400000000 ] - [ -0.0034407700000000, 0.0009221700000000, -0.0000963400000000 ] - [ 0.0009013300000000, 0.0004640000000000, -0.0003269700000000 ] - [ -0.0000169700000000, -0.0000533200000000, -0.0003413300000000 ] - [ 0.0000169100000000, 0.0000205100000000, -0.0002592100000000 ] - [ -0.0000643500000000, 0.0000065700000000, -0.0003172800000000 ] - [ 0.0000627100000000, 0.0000264100000000, -0.0003244300000000 ] - [ -0.2073709700000000, -0.0859087200000000, -0.0791856900000000 ] - [ 0.0066069800000000, -0.0011017000000000, -0.0004701100000000 ] - [ -0.0010891200000000, -0.0018633400000000, 0.0003792800000000 ] - [ 0.0010119800000000, 0.0048583600000000, -0.0003790600000000 ] - [ -0.0002105500000000, -0.0000732600000000, 0.0000914900000000 ] - [ 0.0002102900000000, -0.0000381400000000, 0.0000941800000000 ] - [ -0.0000301500000000, -0.0000656100000000, 0.0001052700000000 ] - [ 0.0000299900000000, 0.0001767300000000, 0.0000864600000000 ] - [ -0.0015962600000000, 0.0014102600000000, -0.0017176600000000 ] - [ 0.0012440200000000, -0.0000951300000000, 0.0000640000000000 ] - [ 0.0017744900000000, -0.0018912800000000, -0.0022156900000000 ] - [ 0.0018423400000000, 0.0029760600000000, 0.0042610500000000 ] - [ -0.0004060100000000, 0.0001512400000000, 0.0001577700000000 ] - [ 0.0003761400000000, 0.0000703300000000, 0.0000565200000000 ] - [ 0.0000673100000000, -0.0003425100000000, 0.0001912400000000 ] - [ -0.0000763500000000, 0.0001201000000000, -0.0001334500000000 ] - [ -0.0002368700000000, -0.0005270400000000, 0.0004559200000000 ] - [ 0.0002400500000000, 0.0002112500000000, -0.0003020200000000 ] - [ -0.0006145600000000, 0.0000084600000000, 0.0002465300000000 ] - [ 0.0006008900000000, 0.0002893900000000, 0.0001395100000000 ] - [ 0.0002489600000000, -0.0019817000000000, -0.0009153600000000 ] - [ 0.0024819100000000, 0.0016016200000000, 0.0002821800000000 ] - [ -0.0014786700000000, -0.0002267500000000, -0.0003649300000000 ] - [ 0.0012828000000000, 0.0006666900000000, -0.0000323400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0808643900000000, -0.0466870800000000, -0.0874883400000000 ] - [ 0.0010359500000000, 0.0001422300000000, 0.0000801700000000 ] - [ -0.0005059300000000, -0.0002921000000000, -0.0005055700000000 ] - [ 0.0006411500000000, 0.0008260400000000, 0.0000801700000000 ] - [ -0.0000786600000000, -0.0000454200000000, 0.0003096000000000 ] - [ 0.0000062500000000, -0.0000111300000000, 0.0002888500000000 ] - [ -0.0000336700000000, -0.0000194400000000, 0.0002889000000000 ] - [ -0.0000065200000000, 0.0000109800000000, 0.0002888500000000 ] - [ -0.0124678400000000, -0.0029821700000000, -0.0304395400000000 ] - [ 0.0004320700000000, -0.0002103100000000, -0.0001608300000000 ] - [ -0.0001521400000000, -0.0001473400000000, -0.0001610500000000 ] - [ 0.0003284300000000, 0.0016030200000000, -0.0010913500000000 ] - [ -0.0000164500000000, -0.0000004200000000, 0.0003157600000000 ] - [ 0.0000175300000000, 0.0000173500000000, 0.0002891100000000 ] - [ -0.0000028800000000, 0.0000200100000000, 0.0002891800000000 ] - [ 0.0000046700000000, 0.0000860400000000, 0.0002830400000000 ] - [ -0.0088165600000000, -0.0093063800000000, -0.0304395400000000 ] - [ 0.0015524800000000, -0.0005170800000000, -0.0010913500000000 ] - [ -0.0002036700000000, -0.0000580900000000, -0.0001610500000000 ] - [ 0.0000339000000000, 0.0004793400000000, -0.0001608300000000 ] - [ -0.0000085900000000, -0.0000140300000000, 0.0003157600000000 ] - [ 0.0000768500000000, -0.0000389800000000, 0.0002830400000000 ] - [ 0.0000158800000000, -0.0000125000000000, 0.0002891800000000 ] - [ 0.0000237900000000, 0.0000065100000000, 0.0002891100000000 ] - [ -0.0007286300000000, -0.0005709800000000, -0.0004304400000000 ] - [ 0.0003514100000000, 0.0002028800000000, 0.0000703700000000 ] - [ -0.0008588000000000, -0.0003455200000000, -0.0004304400000000 ] - [ 0.0022493900000000, 0.0012986800000000, 0.0014044000000000 ] - [ 0.0000036100000000, 0.0000901300000000, 0.0003349900000000 ] - [ 0.0000515800000000, 0.0000297800000000, 0.0002991300000000 ] - [ 0.0000798500000000, -0.0000419400000000, 0.0003349900000000 ] - [ -0.0001359700000000, -0.0000785000000000, 0.0001907400000000 ] - [ 0.0016294900000000, 0.0008818600000000, 0.0015901600000000 ] - [ -0.0000128300000000, -0.0002457300000000, -0.0003256300000000 ] - [ 0.0000213300000000, 0.0003826700000000, 0.0000311000000000 ] - [ -0.0000865400000000, 0.0003351100000000, -0.0004105700000000 ] - [ -0.0000646300000000, -0.0000624300000000, 0.0003430000000000 ] - [ 0.0000683700000000, -0.0001155300000000, 0.0003738200000000 ] - [ 0.0000084700000000, 0.0000155800000000, 0.0002545900000000 ] - [ -0.0000071800000000, 0.0001806800000000, 0.0001730500000000 ] - [ 0.0003420700000000, -0.0001728600000000, 0.0000311000000000 ] - [ -0.0002192300000000, 0.0001117600000000, -0.0003256300000000 ] - [ 0.0015784500000000, 0.0009702500000000, 0.0015901600000000 ] - [ 0.0002469500000000, -0.0002425000000000, -0.0004105700000000 ] - [ 0.0000177300000000, -0.0000004500000000, 0.0002545900000000 ] - [ -0.0000658600000000, 0.0001169800000000, 0.0003738200000000 ] - [ -0.0000863800000000, -0.0000247600000000, 0.0003430000000000 ] - [ 0.0001528800000000, -0.0000965600000000, 0.0001730500000000 ] - [ 0.0000188500000000, -0.0001379300000000, 0.0003523500000000 ] - [ -0.0001860900000000, -0.0001074400000000, 0.0002089800000000 ] - [ -0.0001100300000000, 0.0000852900000000, 0.0003523500000000 ] - [ 0.0001731700000000, 0.0000999800000000, 0.0003151700000000 ] - [ -0.0009218200000000, -0.0002114900000000, -0.0004096800000000 ] - [ 0.0023021600000000, 0.0013291500000000, 0.0014214800000000 ] - [ -0.0006440700000000, -0.0006925700000000, -0.0004096800000000 ] - [ 0.0000106900000000, 0.0000061700000000, 0.0000879300000000 ] - [ 0.0000020300000000, -0.0002961500000000, 0.0003914100000000 ] - [ 0.0000012700000000, 0.0000359300000000, 0.0001906100000000 ] - [ -0.0001249700000000, 0.0002234900000000, 0.0003602800000000 ] - [ 0.0001184400000000, 0.0001265000000000, 0.0002703300000000 ] - [ -0.0002521400000000, 0.0007913400000000, -0.0003052500000000 ] - [ 0.0002533600000000, 0.0010629400000000, -0.0003903400000000 ] - [ 0.0003692500000000, -0.0021023100000000, 0.0015962200000000 ] - [ -0.0000315300000000, 0.0000024400000000, 0.0000487200000000 ] - [ 0.0001310700000000, -0.0002199700000000, 0.0003602800000000 ] - [ 0.0000317500000000, -0.0000168600000000, 0.0001906100000000 ] - [ -0.0002554600000000, 0.0001498300000000, 0.0003914100000000 ] - [ 0.0001687700000000, 0.0000393200000000, 0.0002703300000000 ] - [ -0.0016360300000000, 0.0013709400000000, 0.0015962200000000 ] - [ 0.0010472200000000, -0.0003120600000000, -0.0003903400000000 ] - [ 0.0005592500000000, -0.0006140300000000, -0.0003052500000000 ] - [ -0.0000136500000000, -0.0000285300000000, 0.0000487200000000 ] - [ 0.0013808400000000, 0.0007972300000000, -0.0020728000000000 ] - [ -0.0005973500000000, 0.0001735300000000, -0.0005166200000000 ] - [ 0.0001183700000000, 0.0000683400000000, -0.0003167000000000 ] - [ -0.0001483900000000, -0.0006040800000000, -0.0005166200000000 ] - [ 0.0000462900000000, 0.0000267300000000, -0.0012106600000000 ] - [ -0.0000314900000000, 0.0000970700000000, -0.0005654400000000 ] - [ -0.0000682000000000, -0.0000393700000000, -0.0005464100000000 ] - [ 0.0000683200000000, -0.0000758100000000, -0.0005654400000000 ] - [ 0.0000421900000000, 0.0000217700000000, -0.0005724100000000 ] - [ -0.0000405900000000, -0.0000234300000000, -0.0006195100000000 ] - [ 0.0000399500000000, 0.0000256500000000, -0.0005724100000000 ] - [ -0.0000443200000000, -0.0000255900000000, -0.0009384800000000 ] - [ 0.0000678600000000, -0.0012208000000000, -0.0003932300000000 ] - [ -0.0000511900000000, -0.0000295500000000, 0.0001581600000000 ] - [ -0.0010233200000000, 0.0006691700000000, -0.0003932300000000 ] - [ -0.0018201100000000, -0.0010508400000000, 0.0042757500000000 ] - [ -0.0005081700000000, 0.0019658900000000, 0.0005697400000000 ] - [ -0.0010930000000000, -0.0006310400000000, 0.0003983400000000 ] - [ 0.0014484300000000, -0.0014230300000000, 0.0005697400000000 ] - [ -0.0004373800000000, -0.0002525200000000, 0.0000842200000000 ] - [ 0.0000065700000000, 0.0000023000000000, -0.0006990100000000 ] - [ -0.0000063800000000, -0.0000036800000000, -0.0006765200000000 ] - [ 0.0000052800000000, 0.0000045400000000, -0.0006990100000000 ] - [ -0.0000049000000000, -0.0000028300000000, -0.0006459900000000 ] - [ 0.1009290300000000, 0.0582714100000000, 0.1389984400000000 ] - [ -0.0018205500000000, 0.0005524100000000, 0.0007880000000000 ] - [ 0.0006524400000000, 0.0003766800000000, 0.0006231800000000 ] - [ -0.0004318800000000, -0.0018528500000000, 0.0007880000000000 ] - [ 0.0000840800000000, 0.0000485400000000, -0.0002737300000000 ] - [ -0.0000856000000000, 0.0000228300000000, -0.0002065000000000 ] - [ 0.0000222000000000, 0.0000128200000000, -0.0002232900000000 ] - [ -0.0000230300000000, -0.0000855500000000, -0.0002065000000000 ] - [ 0.0009617900000000, -0.0002176700000000, 0.0015076300000000 ] - [ -0.0006043400000000, -0.0003489200000000, 0.0003778100000000 ] - [ 0.0002923800000000, 0.0009417700000000, 0.0015076300000000 ] - [ -0.0039373900000000, -0.0022732500000000, -0.0006276700000000 ] - [ 0.0000457700000000, -0.0002522800000000, -0.0002454000000000 ] - [ -0.0000548800000000, -0.0000316800000000, -0.0001459600000000 ] - [ -0.0001955900000000, 0.0001657800000000, -0.0002454000000000 ] - [ 0.0001847200000000, 0.0001066500000000, -0.0002554600000000 ] - [ -0.0001174600000000, 0.0005951400000000, -0.0003550000000000 ] - [ 0.0001048900000000, 0.0000605600000000, 0.0001677500000000 ] - [ 0.0004566800000000, -0.0003992900000000, -0.0003550000000000 ] - [ -0.0004189300000000, -0.0002418700000000, -0.0001829400000000 ] - [ 0.0019957200000000, -0.0011043400000000, 0.0002686600000000 ] - [ -0.0019951100000000, -0.0011518800000000, 0.0005134900000000 ] - [ 0.0000414700000000, 0.0022805200000000, 0.0002686600000000 ] - [ 0.0000055700000000, 0.0000032200000000, -0.0000887300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0824864500000000, 0.0476235700000000, 0.0876966300000000 ] - [ -0.0011222600000000, -0.0001949800000000, 0.0001087200000000 ] - [ 0.0004010300000000, 0.0002315300000000, 0.0006864600000000 ] - [ -0.0007299900000000, -0.0008744200000000, 0.0001087200000000 ] - [ -0.0000291500000000, -0.0000168300000000, -0.0001308500000000 ] - [ -0.0001124500000000, -0.0000465100000000, -0.0001084700000000 ] - [ -0.0000713400000000, -0.0000411900000000, -0.0001094400000000 ] - [ -0.0000965000000000, -0.0000741400000000, -0.0001084700000000 ] - [ 0.0127690100000000, 0.0030874400000000, 0.0308418000000000 ] - [ -0.0004280500000000, 0.0003260800000000, 0.0003459000000000 ] - [ 0.0001527500000000, 0.0002572000000000, 0.0003459600000000 ] - [ -0.0003255300000000, -0.0014808800000000, 0.0012679600000000 ] - [ 0.0000179500000000, 0.0001155500000000, -0.0001332500000000 ] - [ -0.0000171000000000, 0.0001025200000000, -0.0001083800000000 ] - [ 0.0000025800000000, 0.0000968900000000, -0.0001082900000000 ] - [ -0.0000011600000000, 0.0000312300000000, -0.0001017400000000 ] - [ 0.0090583100000000, 0.0095145700000000, 0.0308418000000000 ] - [ -0.0014452400000000, 0.0004585200000000, 0.0012679600000000 ] - [ 0.0002991200000000, 0.0000036900000000, 0.0003459600000000 ] - [ 0.0000683700000000, -0.0005337500000000, 0.0003459000000000 ] - [ 0.0001090400000000, -0.0000422300000000, -0.0001332500000000 ] - [ 0.0000264700000000, -0.0000166200000000, -0.0001017400000000 ] - [ 0.0000852000000000, -0.0000462100000000, -0.0001082900000000 ] - [ 0.0000802300000000, -0.0000660700000000, -0.0001083800000000 ] - [ 0.0006550900000000, 0.0005227100000000, 0.0006061000000000 ] - [ -0.0004114000000000, -0.0002375200000000, 0.0001104000000000 ] - [ 0.0007802300000000, 0.0003059700000000, 0.0006061000000000 ] - [ -0.0022979300000000, -0.0013267100000000, -0.0012152100000000 ] - [ -0.0000683400000000, -0.0001262200000000, -0.0001575900000000 ] - [ -0.0001160200000000, -0.0000669800000000, -0.0001227400000000 ] - [ -0.0001434900000000, 0.0000039200000000, -0.0001575900000000 ] - [ 0.0000716500000000, 0.0000413700000000, -0.0000148300000000 ] - [ -0.0015973100000000, -0.0007935300000000, -0.0013874400000000 ] - [ 0.0000133000000000, 0.0003194700000000, 0.0005019200000000 ] - [ -0.0000198000000000, -0.0003082400000000, 0.0001492500000000 ] - [ 0.0000878500000000, -0.0002603900000000, 0.0005892200000000 ] - [ 0.0000674500000000, 0.0001436000000000, -0.0001668900000000 ] - [ -0.0000666500000000, 0.0001905400000000, -0.0001965900000000 ] - [ -0.0000070600000000, 0.0000505600000000, -0.0000759700000000 ] - [ 0.0000082600000000, -0.0001094200000000, 0.0000038400000000 ] - [ -0.0002768500000000, 0.0001369700000000, 0.0001492500000000 ] - [ 0.0002833200000000, -0.0001482200000000, 0.0005019200000000 ] - [ -0.0014858700000000, -0.0009865400000000, -0.0013874400000000 ] - [ -0.0001815800000000, 0.0002062700000000, 0.0005892200000000 ] - [ 0.0000402500000000, -0.0000314000000000, -0.0000759700000000 ] - [ 0.0001316900000000, -0.0001529900000000, -0.0001965900000000 ] - [ 0.0001580900000000, -0.0000133900000000, -0.0001668900000000 ] - [ -0.0000906300000000, 0.0000618600000000, 0.0000038400000000 ] - [ -0.0000907300000000, 0.0000972500000000, -0.0001371900000000 ] - [ 0.0001156000000000, 0.0000667400000000, 0.0000048400000000 ] - [ 0.0000388500000000, -0.0001272000000000, -0.0001371900000000 ] - [ -0.0002520600000000, -0.0001455300000000, -0.0001048200000000 ] - [ 0.0008510900000000, 0.0001759500000000, 0.0006242000000000 ] - [ -0.0023626800000000, -0.0013641000000000, -0.0012029900000000 ] - [ 0.0005779200000000, 0.0006490900000000, 0.0006242000000000 ] - [ -0.0000864300000000, -0.0000499000000000, 0.0001246800000000 ] - [ -0.0000012500000000, 0.0003733000000000, -0.0001766400000000 ] - [ 0.0000033700000000, 0.0000483000000000, 0.0000228200000000 ] - [ 0.0001262100000000, -0.0001370500000000, -0.0001466500000000 ] - [ -0.0001182500000000, -0.0000414800000000, -0.0000576500000000 ] - [ 0.0002503300000000, -0.0007119600000000, 0.0005198600000000 ] - [ -0.0002476500000000, -0.0009890800000000, 0.0006064600000000 ] - [ -0.0003744600000000, 0.0021795300000000, -0.0013862500000000 ] - [ 0.0000314500000000, 0.0000749500000000, 0.0001644000000000 ] - [ -0.0000555800000000, 0.0001778300000000, -0.0001466500000000 ] - [ 0.0000435100000000, -0.0000212300000000, 0.0000228200000000 ] - [ 0.0003226600000000, -0.0001877300000000, -0.0001766400000000 ] - [ -0.0000950500000000, -0.0000816700000000, -0.0000576500000000 ] - [ 0.0017003000000000, -0.0014140500000000, -0.0013862500000000 ] - [ -0.0009803900000000, 0.0002800700000000, 0.0006064600000000 ] - [ -0.0004914100000000, 0.0005727700000000, 0.0005198600000000 ] - [ 0.0000806300000000, -0.0000102400000000, 0.0001644000000000 ] - [ -0.0013680700000000, -0.0007898600000000, 0.0013608900000000 ] - [ 0.0005938000000000, -0.0001740200000000, -0.0001736100000000 ] - [ -0.0001162100000000, -0.0000670900000000, -0.0003728400000000 ] - [ 0.0001461900000000, 0.0006012500000000, -0.0001736100000000 ] - [ -0.0000472600000000, -0.0000272800000000, 0.0005227100000000 ] - [ 0.0000325100000000, -0.0000981300000000, -0.0001215600000000 ] - [ 0.0000691100000000, 0.0000399000000000, -0.0001417400000000 ] - [ -0.0000687200000000, 0.0000772200000000, -0.0001215600000000 ] - [ -0.0000422200000000, -0.0000195000000000, -0.0001254800000000 ] - [ 0.0000410200000000, 0.0000236800000000, -0.0000785800000000 ] - [ -0.0000379900000000, -0.0000268100000000, -0.0001254800000000 ] - [ 0.0000426600000000, 0.0000246300000000, 0.0002377400000000 ] - [ -0.0000684400000000, 0.0012138100000000, -0.0003142100000000 ] - [ 0.0000522600000000, 0.0000301700000000, -0.0008532100000000 ] - [ 0.0010169700000000, -0.0006661800000000, -0.0003142100000000 ] - [ 0.0019339900000000, 0.0011165900000000, -0.0050673400000000 ] - [ 0.0005177800000000, -0.0019589500000000, -0.0012553300000000 ] - [ 0.0010756600000000, 0.0006210300000000, -0.0010906400000000 ] - [ -0.0014376100000000, 0.0014278900000000, -0.0012553300000000 ] - [ 0.0004336700000000, 0.0002503800000000, -0.0007843600000000 ] - [ -0.0000061100000000, -0.0000031700000000, -0.0000023600000000 ] - [ 0.0000061600000000, 0.0000035600000000, -0.0000247800000000 ] - [ -0.0000058000000000, -0.0000037000000000, -0.0000023600000000 ] - [ 0.0000056100000000, 0.0000032400000000, -0.0000549000000000 ] - [ -0.1032090200000000, -0.0595877600000000, -0.1392644000000000 ] - [ 0.0018017400000000, -0.0005562500000000, -0.0006721600000000 ] - [ -0.0006395700000000, -0.0003692500000000, -0.0005098700000000 ] - [ 0.0004191400000000, 0.0018384800000000, -0.0006721600000000 ] - [ -0.0000891500000000, -0.0000514700000000, 0.0003855200000000 ] - [ 0.0000875200000000, -0.0000295700000000, 0.0003233200000000 ] - [ -0.0000180300000000, -0.0000104100000000, 0.0003453300000000 ] - [ 0.0000181500000000, 0.0000905800000000, 0.0003233200000000 ] - [ -0.0009534400000000, 0.0002230800000000, -0.0013919900000000 ] - [ 0.0005975500000000, 0.0003450000000000, -0.0002751400000000 ] - [ -0.0002835200000000, -0.0009372400000000, -0.0013919900000000 ] - [ 0.0039002400000000, 0.0022518000000000, 0.0007431600000000 ] - [ -0.0000512200000000, 0.0002529900000000, 0.0003440100000000 ] - [ 0.0000516000000000, 0.0000297900000000, 0.0002422700000000 ] - [ 0.0001934800000000, -0.0001708500000000, 0.0003440100000000 ] - [ -0.0001869900000000, -0.0001079600000000, 0.0003636100000000 ] - [ 0.0001125200000000, -0.0005930000000000, 0.0004953600000000 ] - [ -0.0001037000000000, -0.0000598700000000, -0.0000199400000000 ] - [ -0.0004572900000000, 0.0003939400000000, 0.0004953600000000 ] - [ 0.0004112800000000, 0.0002374500000000, 0.0003201300000000 ] - [ -0.0019900300000000, 0.0010954300000000, -0.0001314700000000 ] - [ 0.0019812200000000, 0.0011438600000000, -0.0003863400000000 ] - [ -0.0000463400000000, -0.0022711300000000, -0.0001314700000000 ] - [ -0.0000130700000000, -0.0000075400000000, 0.0002327500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013913100000000, 0.0004044600000000, 0.0014642400000000 ] - [ -0.0009336900000000, -0.0003221400000000, -0.0005034300000000 ] - [ 0.0001136700000000, 0.0002495600000000, 0.0002085800000000 ] - [ -0.0002345200000000, -0.0003296200000000, -0.0000565000000000 ] - [ 0.0004845900000000, 0.0001186100000000, 0.0001382200000000 ] - [ -0.0005043500000000, -0.0001569100000000, 0.0000576700000000 ] - [ -0.0000391200000000, 0.0001013000000000, 0.0000216000000000 ] - [ -0.0000690600000000, -0.0001762100000000, 0.0001581900000000 ] - [ 0.0006884700000000, 0.0000622900000000, 0.0000873400000000 ] - [ -0.0003207300000000, 0.0000611200000000, 0.0000918400000000 ] - [ -0.0000212600000000, 0.0006619300000000, -0.0003559200000000 ] - [ -0.0000215100000000, -0.0005494700000000, 0.0005407500000000 ] - [ 0.0002785600000000, 0.0000584900000000, 0.0000918900000000 ] - [ -0.0002172000000000, 0.0000624300000000, 0.0000900000000000 ] - [ -0.0000012700000000, 0.0004257900000000, -0.0000096900000000 ] - [ 0.0000020200000000, -0.0003074300000000, 0.0001910400000000 ] - [ 0.0014876000000000, -0.0004628100000000, -0.0012849600000000 ] - [ -0.0008365300000000, 0.0002662400000000, 0.0006883600000000 ] - [ -0.0001337400000000, 0.0002680800000000, 0.0002385100000000 ] - [ 0.0002135300000000, -0.0003104000000000, -0.0000260800000000 ] - [ 0.0005817900000000, -0.0001755000000000, 0.0000453900000000 ] - [ -0.0004009400000000, 0.0000994800000000, 0.0001219900000000 ] - [ 0.0000313000000000, 0.0001120300000000, 0.0000215200000000 ] - [ 0.0000665700000000, -0.0001646100000000, 0.0001584500000000 ] - [ 0.0034110800000000, 0.0009706200000000, 0.0015255900000000 ] - [ -0.0009324300000000, -0.0004841400000000, -0.0003447900000000 ] - [ 0.0003731000000000, 0.0008313700000000, -0.0004332300000000 ] - [ -0.0029509700000000, -0.0022829700000000, -0.0009953800000000 ] - [ 0.0000330800000000, 0.0000055700000000, 0.0000949800000000 ] - [ -0.0000948800000000, -0.0000453400000000, 0.0000836600000000 ] - [ -0.0000157700000000, 0.0000004900000000, 0.0000959000000000 ] - [ -0.0000479300000000, -0.0000407700000000, 0.0000827100000000 ] - [ 0.0004153100000000, -0.0026490700000000, 0.0020300100000000 ] - [ 0.0002561400000000, 0.0027366000000000, -0.0018816900000000 ] - [ -0.0000944200000000, 0.0000377200000000, 0.0000899500000000 ] - [ 0.0009957500000000, 0.0000314300000000, 0.0000931300000000 ] - [ 0.0000025000000000, -0.0000031400000000, 0.0000888300000000 ] - [ 0.0000010800000000, 0.0000830600000000, 0.0000903200000000 ] - [ -0.0000175200000000, 0.0000346700000000, 0.0000906000000000 ] - [ 0.0000208800000000, 0.0000340900000000, 0.0000899400000000 ] - [ -0.0008715900000000, 0.0004484200000000, 0.0005254800000000 ] - [ 0.0034695400000000, -0.0010477600000000, -0.0013616700000000 ] - [ 0.0004867300000000, -0.0008471400000000, 0.0005923600000000 ] - [ -0.0028817300000000, 0.0022352200000000, 0.0011719400000000 ] - [ -0.0000345800000000, 0.0000091000000000, 0.0000944200000000 ] - [ 0.0000959400000000, -0.0000449500000000, 0.0000828000000000 ] - [ 0.0000516500000000, -0.0000400700000000, 0.0000819300000000 ] - [ 0.0000151400000000, 0.0000022400000000, 0.0000944700000000 ] - [ -0.0017900700000000, -0.0002404500000000, -0.0009166200000000 ] - [ -0.0002431800000000, -0.0008064400000000, -0.0017343900000000 ] - [ 0.0005621700000000, 0.0001925300000000, 0.0001775700000000 ] - [ -0.0004289500000000, -0.0000043300000000, 0.0000530300000000 ] - [ -0.0000394700000000, 0.0000028700000000, 0.0001469500000000 ] - [ -0.0000266700000000, -0.0000445900000000, 0.0000636400000000 ] - [ 0.0000278700000000, -0.0000125800000000, 0.0001492800000000 ] - [ -0.0000978300000000, -0.0000351000000000, 0.0000654200000000 ] - [ -0.0005723600000000, 0.0022925600000000, -0.0009861700000000 ] - [ -0.0005738600000000, -0.0022103900000000, 0.0011904300000000 ] - [ 0.0011522800000000, 0.0000471700000000, 0.0001002200000000 ] - [ -0.0004248100000000, 0.0000413000000000, 0.0001069300000000 ] - [ 0.0000016100000000, 0.0000951500000000, 0.0001048700000000 ] - [ 0.0000010800000000, -0.0000154900000000, 0.0001110600000000 ] - [ 0.0000525000000000, 0.0000413000000000, 0.0001072900000000 ] - [ -0.0000407900000000, 0.0000421200000000, 0.0001072100000000 ] - [ -0.0001002100000000, 0.0007216600000000, 0.0020189600000000 ] - [ -0.0017291700000000, 0.0002048600000000, 0.0011220200000000 ] - [ 0.0006198000000000, -0.0002265900000000, 0.0000396400000000 ] - [ -0.0003533000000000, -0.0000434000000000, 0.0001567500000000 ] - [ 0.0000424600000000, 0.0000069700000000, 0.0001503100000000 ] - [ 0.0000263500000000, -0.0000391800000000, 0.0000673700000000 ] - [ 0.0000981800000000, -0.0000329600000000, 0.0000633000000000 ] - [ -0.0000250300000000, -0.0000110600000000, 0.0001464900000000 ] - [ -0.0188135600000000, -0.0000037300000000, -0.0003633500000000 ] - [ 0.0020019200000000, -0.0000016400000000, -0.0003433100000000 ] - [ 0.0000879200000000, -0.0011034900000000, -0.0007225000000000 ] - [ 0.0000870900000000, 0.0011069800000000, 0.0000356600000000 ] - [ -0.0000293100000000, -0.0000006900000000, -0.0003430500000000 ] - [ 0.0000292800000000, -0.0000005200000000, -0.0003427600000000 ] - [ 0.0000000600000000, -0.0000158600000000, -0.0003234900000000 ] - [ 0.0000004000000000, 0.0000176300000000, -0.0003627200000000 ] - [ -0.0009894500000000, 0.0000033400000000, -0.0003493400000000 ] - [ 0.0007326500000000, -0.0000013300000000, -0.0003474500000000 ] - [ 0.0005648800000000, -0.0008945600000000, -0.0016454600000000 ] - [ 0.0005617600000000, 0.0008985600000000, 0.0009580100000000 ] - [ -0.0000020000000000, 0.0000006700000000, -0.0003476300000000 ] - [ 0.0000006200000000, 0.0000003200000000, -0.0003479500000000 ] - [ 0.0000179000000000, -0.0000115600000000, -0.0001829800000000 ] - [ 0.0000172800000000, 0.0000109900000000, -0.0005134100000000 ] - [ 0.0005629900000000, -0.0008984800000000, -0.0015181800000000 ] - [ 0.0005636600000000, 0.0008932900000000, 0.0008112800000000 ] - [ -0.0009884600000000, -0.0000017200000000, -0.0003491100000000 ] - [ 0.0007314500000000, 0.0000017100000000, -0.0003510700000000 ] - [ 0.0000168200000000, -0.0000110000000000, -0.0000425000000000 ] - [ 0.0000182500000000, 0.0000109000000000, -0.0006559600000000 ] - [ -0.0000013600000000, 0.0000001200000000, -0.0003505500000000 ] - [ -0.0000000300000000, 0.0000007200000000, -0.0003492800000000 ] - [ -0.0028701000000000, -0.0000052200000000, 0.0000646900000000 ] - [ 0.0013874900000000, -0.0000033800000000, 0.0000564600000000 ] - [ 0.0000305400000000, -0.0007802600000000, -0.0000276300000000 ] - [ 0.0000300600000000, 0.0007854000000000, 0.0001412100000000 ] - [ -0.0012871100000000, -0.0000013800000000, 0.0000537700000000 ] - [ 0.0009648000000000, -0.0000040800000000, 0.0000599100000000 ] - [ 0.0000129800000000, -0.0005498000000000, 0.0003392300000000 ] - [ 0.0000098800000000, 0.0005524900000000, -0.0002174000000000 ] - [ -0.0067740000000000, 0.0000233000000000, 0.0000591400000000 ] - [ 0.0014577200000000, -0.0000014000000000, 0.0000495000000000 ] - [ 0.0056632900000000, -0.0071549400000000, 0.0030705200000000 ] - [ 0.0056890000000000, 0.0072194300000000, -0.0029976900000000 ] - [ -0.0001238500000000, 0.0000036200000000, 0.0000502900000000 ] - [ 0.0001166800000000, 0.0000024300000000, 0.0000483800000000 ] - [ -0.0000000500000000, -0.0000717000000000, 0.0000387800000000 ] - [ -0.0000021700000000, 0.0000702700000000, 0.0000646800000000 ] - [ 0.0058468700000000, -0.0042572900000000, 0.0021005300000000 ] - [ 0.0058496600000000, 0.0042427800000000, -0.0019094800000000 ] - [ -0.0015125800000000, -0.0000202600000000, 0.0000718400000000 ] - [ 0.0009132000000000, 0.0000051900000000, 0.0000701500000000 ] - [ 0.0000038700000000, -0.0000640300000000, 0.0000152000000000 ] - [ 0.0000027600000000, 0.0000650300000000, 0.0001254500000000 ] - [ -0.0001085000000000, 0.0000023800000000, 0.0000717700000000 ] - [ 0.0000986000000000, 0.0000028800000000, 0.0000749800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004199900000000, 0.0002424800000000, -0.0016216800000000 ] - [ -0.0002452200000000, -0.0000955800000000, -0.0000833800000000 ] - [ 0.0001039600000000, 0.0000600200000000, 0.0001168600000000 ] - [ -0.0002053800000000, -0.0001645800000000, -0.0000833800000000 ] - [ -0.0004164400000000, -0.0002404300000000, -0.0007802600000000 ] - [ -0.0000248400000000, -0.0000979600000000, -0.0001315500000000 ] - [ -0.0000311300000000, -0.0000179700000000, -0.0001118900000000 ] - [ -0.0000972600000000, 0.0000274700000000, -0.0001315500000000 ] - [ 0.0000000000000000, -0.0004849700000000, -0.0016216800000000 ] - [ 0.0000000000000000, -0.0001200400000000, 0.0001168600000000 ] - [ -0.0000398400000000, 0.0002601600000000, -0.0000833800000000 ] - [ 0.0000398400000000, 0.0002601600000000, -0.0000833800000000 ] - [ 0.0000000000000000, 0.0004808600000000, -0.0007802600000000 ] - [ 0.0000000000000000, 0.0000359500000000, -0.0001118900000000 ] - [ 0.0000724200000000, 0.0000705000000000, -0.0001315500000000 ] - [ -0.0000724200000000, 0.0000705000000000, -0.0001315500000000 ] - [ -0.0004199900000000, 0.0002424800000000, -0.0016216800000000 ] - [ 0.0002452200000000, -0.0000955800000000, -0.0000833800000000 ] - [ 0.0002053800000000, -0.0001645800000000, -0.0000833800000000 ] - [ -0.0001039600000000, 0.0000600200000000, 0.0001168600000000 ] - [ 0.0004164400000000, -0.0002404300000000, -0.0007802600000000 ] - [ 0.0000248400000000, -0.0000979600000000, -0.0001315500000000 ] - [ 0.0000972600000000, 0.0000274700000000, -0.0001315500000000 ] - [ 0.0000311300000000, -0.0000179700000000, -0.0001118900000000 ] - [ -0.0002806500000000, -0.0007227200000000, 0.0009951200000000 ] - [ -0.0000587900000000, -0.0000339400000000, 0.0005221500000000 ] - [ -0.0007662200000000, 0.0001183100000000, 0.0009951200000000 ] - [ 0.0012182400000000, 0.0007033500000000, 0.0008340700000000 ] - [ -0.0000691300000000, -0.0000109000000000, -0.0002595300000000 ] - [ -0.0000616400000000, -0.0000355900000000, -0.0002071100000000 ] - [ -0.0000440100000000, -0.0000544200000000, -0.0002595300000000 ] - [ -0.0001271300000000, -0.0000734000000000, -0.0002376800000000 ] - [ 0.0004855700000000, 0.0006044100000000, 0.0009951200000000 ] - [ -0.0004855700000000, 0.0006044100000000, 0.0009951200000000 ] - [ 0.0000000000000000, 0.0000678900000000, 0.0005221500000000 ] - [ 0.0000000000000000, -0.0014067000000000, 0.0008340700000000 ] - [ -0.0000251300000000, 0.0000653200000000, -0.0002595300000000 ] - [ 0.0000251300000000, 0.0000653200000000, -0.0002595300000000 ] - [ 0.0000000000000000, 0.0000711700000000, -0.0002071100000000 ] - [ 0.0000000000000000, 0.0001468000000000, -0.0002376800000000 ] - [ 0.0000587900000000, -0.0000339400000000, 0.0005221500000000 ] - [ 0.0002806500000000, -0.0007227200000000, 0.0009951200000000 ] - [ 0.0007662200000000, 0.0001183100000000, 0.0009951200000000 ] - [ -0.0012182400000000, 0.0007033500000000, 0.0008340700000000 ] - [ 0.0000616400000000, -0.0000355900000000, -0.0002071100000000 ] - [ 0.0000691300000000, -0.0000109000000000, -0.0002595300000000 ] - [ 0.0000440100000000, -0.0000544200000000, -0.0002595300000000 ] - [ 0.0001271300000000, -0.0000734000000000, -0.0002376800000000 ] - [ -0.0020212700000000, -0.0003136600000000, 0.0000649100000000 ] - [ 0.0006720600000000, 0.0003880100000000, 0.0048359100000000 ] - [ -0.0012822700000000, -0.0015936400000000, 0.0000649100000000 ] - [ 0.0001145400000000, 0.0000661300000000, 0.0006115500000000 ] - [ 0.0001043600000000, -0.0000177500000000, -0.0001179300000000 ] - [ -0.0003785400000000, -0.0002185500000000, -0.0004805700000000 ] - [ 0.0000368100000000, 0.0000992500000000, -0.0001179300000000 ] - [ -0.0000825000000000, -0.0000476300000000, -0.0001642600000000 ] - [ -0.0007390000000000, 0.0019073000000000, 0.0000649100000000 ] - [ 0.0007390000000000, 0.0019073000000000, 0.0000649100000000 ] - [ 0.0000000000000000, -0.0007760300000000, 0.0048359100000000 ] - [ 0.0000000000000000, -0.0001322600000000, 0.0006115500000000 ] - [ 0.0000675500000000, -0.0000815000000000, -0.0001179300000000 ] - [ -0.0000675500000000, -0.0000815000000000, -0.0001179300000000 ] - [ 0.0000000000000000, 0.0004371100000000, -0.0004805700000000 ] - [ 0.0000000000000000, 0.0000952700000000, -0.0001642600000000 ] - [ -0.0006720600000000, 0.0003880100000000, 0.0048359100000000 ] - [ 0.0020212700000000, -0.0003136600000000, 0.0000649100000000 ] - [ 0.0012822700000000, -0.0015936400000000, 0.0000649100000000 ] - [ -0.0001145400000000, 0.0000661300000000, 0.0006115500000000 ] - [ 0.0003785400000000, -0.0002185500000000, -0.0004805700000000 ] - [ -0.0001043600000000, -0.0000177500000000, -0.0001179300000000 ] - [ -0.0000368100000000, 0.0000992500000000, -0.0001179300000000 ] - [ 0.0000825000000000, -0.0000476300000000, -0.0001642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0161847000000000 ] - [ 0.0000000000000000, 0.0004386700000000, -0.0013736800000000 ] - [ -0.0003799000000000, -0.0002193300000000, -0.0013736800000000 ] - [ 0.0003799000000000, -0.0002193300000000, -0.0013736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003380700000000 ] - [ 0.0000000000000000, -0.0000228200000000, 0.0001381500000000 ] - [ 0.0000197700000000, 0.0000114100000000, 0.0001381500000000 ] - [ -0.0000197700000000, 0.0000114100000000, 0.0001381500000000 ] - [ 0.0000000000000000, -0.0013494200000000, -0.0000570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002897200000000 ] - [ -0.0011686400000000, 0.0006747100000000, -0.0000570100000000 ] - [ 0.0011686400000000, 0.0006747100000000, -0.0000570100000000 ] - [ 0.0000000000000000, 0.0003525000000000, 0.0002340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655600000000 ] - [ 0.0003052800000000, -0.0001762500000000, 0.0002340700000000 ] - [ -0.0003052800000000, -0.0001762500000000, 0.0002340700000000 ] - [ -0.0012980500000000, 0.0007494300000000, -0.0000566700000000 ] - [ 0.0012980500000000, 0.0007494300000000, -0.0000566700000000 ] - [ 0.0000000000000000, -0.0014988600000000, -0.0000566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002897500000000 ] - [ 0.0001663800000000, -0.0000960600000000, 0.0002327300000000 ] - [ -0.0001663800000000, -0.0000960600000000, 0.0002327300000000 ] - [ 0.0000000000000000, 0.0001921200000000, 0.0002327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033687400000000 ] - [ 0.0000000000000000, 0.0003011700000000, 0.0003751100000000 ] - [ -0.0002608200000000, -0.0001505900000000, 0.0003751100000000 ] - [ 0.0002608200000000, -0.0001505900000000, 0.0003751100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023897200000000 ] - [ 0.0000000000000000, 0.0001428900000000, 0.0002415100000000 ] - [ -0.0001237500000000, -0.0000714500000000, 0.0002415100000000 ] - [ 0.0001237500000000, -0.0000714500000000, 0.0002415100000000 ] - [ 0.0000000000000000, 0.0041385700000000, 0.0004175600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383600000000 ] - [ 0.0035841000000000, -0.0020692800000000, 0.0004175600000000 ] - [ -0.0035841000000000, -0.0020692800000000, 0.0004175600000000 ] - [ 0.0000000000000000, -0.0001293800000000, 0.0005532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004096100000000 ] - [ -0.0001120500000000, 0.0000646900000000, 0.0005532400000000 ] - [ 0.0001120500000000, 0.0000646900000000, 0.0005532400000000 ] - [ 0.0057362800000000, -0.0033118400000000, -0.0018331500000000 ] - [ -0.0057362800000000, -0.0033118400000000, -0.0018331500000000 ] - [ 0.0000000000000000, 0.0066236900000000, -0.0018331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010395700000000 ] - [ -0.0003799000000000, 0.0002193300000000, 0.0005251600000000 ] - [ 0.0003799000000000, 0.0002193300000000, 0.0005251600000000 ] - [ 0.0000000000000000, -0.0004386700000000, 0.0005251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005223600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005308200000000, -0.0003064700000000, 0.0018144300000000 ] - [ 0.0001413700000000, 0.0000347600000000, 0.0002623700000000 ] - [ -0.0002097400000000, -0.0001211000000000, 0.0000631500000000 ] - [ 0.0001007900000000, 0.0001050600000000, 0.0002623700000000 ] - [ 0.0003050500000000, 0.0001761200000000, 0.0009522500000000 ] - [ -0.0000829400000000, 0.0000364500000000, 0.0003112200000000 ] - [ -0.0000740800000000, -0.0000427700000000, 0.0002938900000000 ] - [ -0.0000099100000000, -0.0000900500000000, 0.0003112200000000 ] - [ 0.0000000000000000, 0.0006129300000000, 0.0018144300000000 ] - [ 0.0000000000000000, 0.0002421900000000, 0.0000631500000000 ] - [ 0.0000405900000000, -0.0001398100000000, 0.0002623700000000 ] - [ -0.0000405900000000, -0.0001398100000000, 0.0002623700000000 ] - [ 0.0000000000000000, -0.0003522400000000, 0.0009522500000000 ] - [ 0.0000000000000000, 0.0000855400000000, 0.0002938900000000 ] - [ -0.0000730300000000, 0.0000536100000000, 0.0003112200000000 ] - [ 0.0000730300000000, 0.0000536100000000, 0.0003112200000000 ] - [ 0.0005308200000000, -0.0003064700000000, 0.0018144300000000 ] - [ -0.0001413700000000, 0.0000347600000000, 0.0002623700000000 ] - [ -0.0001007900000000, 0.0001050600000000, 0.0002623700000000 ] - [ 0.0002097400000000, -0.0001211000000000, 0.0000631500000000 ] - [ -0.0003050500000000, 0.0001761200000000, 0.0009522500000000 ] - [ 0.0000829400000000, 0.0000364500000000, 0.0003112200000000 ] - [ 0.0000099100000000, -0.0000900500000000, 0.0003112200000000 ] - [ 0.0000740800000000, -0.0000427700000000, 0.0002938900000000 ] - [ 0.0002105400000000, 0.0006729700000000, -0.0008264300000000 ] - [ -0.0000067000000000, -0.0000038700000000, -0.0003426300000000 ] - [ 0.0006880800000000, -0.0001541500000000, -0.0008264300000000 ] - [ -0.0012773600000000, -0.0007374800000000, -0.0006513300000000 ] - [ 0.0000001000000000, -0.0000286400000000, 0.0004366200000000 ] - [ -0.0000080300000000, -0.0000046400000000, 0.0003834000000000 ] - [ -0.0000247600000000, 0.0000144100000000, 0.0004366200000000 ] - [ 0.0000551800000000, 0.0000318600000000, 0.0004129400000000 ] - [ -0.0004775400000000, -0.0005188200000000, -0.0008264300000000 ] - [ 0.0004775400000000, -0.0005188200000000, -0.0008264300000000 ] - [ 0.0000000000000000, 0.0000077300000000, -0.0003426300000000 ] - [ 0.0000000000000000, 0.0014749600000000, -0.0006513300000000 ] - [ 0.0000248500000000, 0.0000142400000000, 0.0004366200000000 ] - [ -0.0000248500000000, 0.0000142400000000, 0.0004366200000000 ] - [ 0.0000000000000000, 0.0000092700000000, 0.0003834000000000 ] - [ 0.0000000000000000, -0.0000637100000000, 0.0004129400000000 ] - [ 0.0000067000000000, -0.0000038700000000, -0.0003426300000000 ] - [ -0.0002105400000000, 0.0006729700000000, -0.0008264300000000 ] - [ -0.0006880800000000, -0.0001541500000000, -0.0008264300000000 ] - [ 0.0012773600000000, -0.0007374800000000, -0.0006513300000000 ] - [ 0.0000080300000000, -0.0000046400000000, 0.0003834000000000 ] - [ -0.0000001000000000, -0.0000286400000000, 0.0004366200000000 ] - [ 0.0000247600000000, 0.0000144100000000, 0.0004366200000000 ] - [ -0.0000551800000000, 0.0000318600000000, 0.0004129400000000 ] - [ 0.0019425400000000, 0.0002726900000000, 0.0001464800000000 ] - [ -0.0008684800000000, -0.0005014200000000, -0.0045080500000000 ] - [ 0.0012074300000000, 0.0015459400000000, 0.0001464800000000 ] - [ -0.0001914800000000, -0.0001105500000000, -0.0003979600000000 ] - [ -0.0001803400000000, -0.0000229200000000, 0.0003285300000000 ] - [ 0.0003087000000000, 0.0001782300000000, 0.0006952400000000 ] - [ -0.0001100200000000, -0.0001447200000000, 0.0003285300000000 ] - [ 0.0000109700000000, 0.0000063300000000, 0.0003758200000000 ] - [ 0.0007351100000000, -0.0018186400000000, 0.0001464800000000 ] - [ -0.0007351100000000, -0.0018186400000000, 0.0001464800000000 ] - [ 0.0000000000000000, 0.0010028300000000, -0.0045080500000000 ] - [ 0.0000000000000000, 0.0002211100000000, -0.0003979600000000 ] - [ -0.0000703200000000, 0.0001676400000000, 0.0003285300000000 ] - [ 0.0000703200000000, 0.0001676400000000, 0.0003285300000000 ] - [ 0.0000000000000000, -0.0003564600000000, 0.0006952400000000 ] - [ 0.0000000000000000, -0.0000126700000000, 0.0003758200000000 ] - [ 0.0008684800000000, -0.0005014200000000, -0.0045080500000000 ] - [ -0.0019425400000000, 0.0002726900000000, 0.0001464800000000 ] - [ -0.0012074300000000, 0.0015459400000000, 0.0001464800000000 ] - [ 0.0001914800000000, -0.0001105500000000, -0.0003979600000000 ] - [ -0.0003087000000000, 0.0001782300000000, 0.0006952400000000 ] - [ 0.0001803400000000, -0.0000229200000000, 0.0003285300000000 ] - [ 0.0001100200000000, -0.0001447200000000, 0.0003285300000000 ] - [ -0.0000109700000000, 0.0000063300000000, 0.0003758200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151163000000000 ] - [ 0.0000000000000000, -0.0004370700000000, 0.0006844200000000 ] - [ 0.0003785100000000, 0.0002185300000000, 0.0006844200000000 ] - [ -0.0003785100000000, 0.0002185300000000, 0.0006844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010231900000000 ] - [ 0.0000000000000000, 0.0000224600000000, -0.0008226500000000 ] - [ -0.0000194500000000, -0.0000112300000000, -0.0008226500000000 ] - [ 0.0000194500000000, -0.0000112300000000, -0.0008226500000000 ] - [ 0.0000000000000000, 0.0013406300000000, -0.0006400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067700000000 ] - [ 0.0011610200000000, -0.0006703200000000, -0.0006400800000000 ] - [ -0.0011610200000000, -0.0006703200000000, -0.0006400800000000 ] - [ 0.0000000000000000, -0.0003556200000000, -0.0009293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006269500000000 ] - [ -0.0003079800000000, 0.0001778100000000, -0.0009293600000000 ] - [ 0.0003079800000000, 0.0001778100000000, -0.0009293600000000 ] - [ 0.0013060200000000, -0.0007540300000000, -0.0006392300000000 ] - [ -0.0013060200000000, -0.0007540300000000, -0.0006392300000000 ] - [ 0.0000000000000000, 0.0015080600000000, -0.0006392300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059300000000 ] - [ -0.0001643100000000, 0.0000948600000000, -0.0009315100000000 ] - [ 0.0001643100000000, 0.0000948600000000, -0.0009315100000000 ] - [ 0.0000000000000000, -0.0001897200000000, -0.0009315100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006309700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032868800000000 ] - [ 0.0000000000000000, -0.0003035100000000, -0.0002546900000000 ] - [ 0.0002628500000000, 0.0001517500000000, -0.0002546900000000 ] - [ -0.0002628500000000, 0.0001517500000000, -0.0002546900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022460200000000 ] - [ 0.0000000000000000, -0.0001474900000000, -0.0001211000000000 ] - [ 0.0001277300000000, 0.0000737500000000, -0.0001211000000000 ] - [ -0.0001277300000000, 0.0000737500000000, -0.0001211000000000 ] - [ 0.0000000000000000, -0.0041292100000000, -0.0002892500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001428400000000 ] - [ -0.0035760000000000, 0.0020646100000000, -0.0002892500000000 ] - [ 0.0035760000000000, 0.0020646100000000, -0.0002892500000000 ] - [ 0.0000000000000000, 0.0001290500000000, -0.0004467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003054600000000 ] - [ 0.0001117600000000, -0.0000645200000000, -0.0004467500000000 ] - [ -0.0001117600000000, -0.0000645200000000, -0.0004467500000000 ] - [ -0.0057282300000000, 0.0033071900000000, 0.0019818500000000 ] - [ 0.0057282300000000, 0.0033071900000000, 0.0019818500000000 ] - [ 0.0000000000000000, -0.0066143900000000, 0.0019818500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011842800000000 ] - [ 0.0003868000000000, -0.0002233200000000, -0.0003796800000000 ] - [ -0.0003868000000000, -0.0002233200000000, -0.0003796800000000 ] - [ 0.0000000000000000, 0.0004466400000000, -0.0003796800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003733200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2074135900000000, 0.0862174600000000, 0.1052926000000000 ] - [ -0.0066505000000000, -0.0016580100000000, -0.0017205600000000 ] - [ 0.0010325500000000, 0.0018322600000000, 0.0007356800000000 ] - [ -0.0010700200000000, -0.0021619400000000, -0.0003385700000000 ] - [ 0.0001570400000000, 0.0000404300000000, 0.0001772200000000 ] - [ -0.0002651500000000, -0.0001041500000000, 0.0000029000000000 ] - [ -0.0000248600000000, 0.0000323200000000, 0.0001099200000000 ] - [ -0.0000851000000000, -0.0001014200000000, 0.0000687700000000 ] - [ 0.0594222600000000, 0.0008687500000000, -0.0001717800000000 ] - [ -0.0021393700000000, 0.0000706800000000, 0.0000885100000000 ] - [ -0.0005555800000000, 0.0046546300000000, -0.0012978100000000 ] - [ -0.0005563400000000, -0.0045407400000000, 0.0014755400000000 ] - [ 0.0000865100000000, 0.0000650400000000, 0.0000903400000000 ] - [ -0.0000836000000000, 0.0000662000000000, 0.0000900200000000 ] - [ 0.0000004100000000, 0.0002213800000000, 0.0000242600000000 ] - [ 0.0000021300000000, -0.0000958900000000, 0.0001568600000000 ] - [ 0.1974680300000000, -0.0789938700000000, -0.0989810300000000 ] - [ -0.0065638800000000, 0.0016004300000000, 0.0019045700000000 ] - [ -0.0009504000000000, 0.0020917100000000, 0.0005131200000000 ] - [ 0.0011391100000000, -0.0018922000000000, -0.0005565600000000 ] - [ 0.0002642100000000, -0.0001030500000000, 0.0000039800000000 ] - [ -0.0001576900000000, 0.0000428200000000, 0.0001771500000000 ] - [ 0.0000214100000000, 0.0000351200000000, 0.0001106300000000 ] - [ 0.0000838300000000, -0.0000978800000000, 0.0000700500000000 ] - [ 0.0014438400000000, 0.0009677900000000, 0.0001388400000000 ] - [ -0.0013204900000000, -0.0006877700000000, 0.0000973100000000 ] - [ -0.0002899600000000, 0.0012151900000000, 0.0020811800000000 ] - [ -0.0025236800000000, -0.0016249800000000, -0.0019013300000000 ] - [ 0.0005773500000000, 0.0002890000000000, 0.0005454700000000 ] - [ -0.0006400100000000, -0.0003106400000000, -0.0003271100000000 ] - [ 0.0001984300000000, 0.0001884200000000, -0.0000258800000000 ] - [ -0.0002790700000000, -0.0002332400000000, 0.0001930400000000 ] - [ -0.0013139500000000, -0.0013293700000000, -0.0018616300000000 ] - [ -0.0013142100000000, 0.0013989800000000, 0.0020343800000000 ] - [ -0.0001285600000000, 0.0000461600000000, 0.0000895500000000 ] - [ 0.0002837800000000, 0.0000329400000000, 0.0000988100000000 ] - [ -0.0000272400000000, -0.0003339900000000, 0.0006617300000000 ] - [ -0.0000274900000000, 0.0004207900000000, -0.0004824100000000 ] - [ -0.0001035900000000, 0.0000411600000000, 0.0000890300000000 ] - [ 0.0001227900000000, 0.0000404600000000, 0.0000883700000000 ] - [ -0.0012543000000000, 0.0006503200000000, 0.0000790500000000 ] - [ 0.0015093000000000, -0.0010126000000000, 0.0000491600000000 ] - [ -0.0001961500000000, -0.0012639300000000, -0.0019044000000000 ] - [ -0.0024512200000000, 0.0015755100000000, 0.0020737400000000 ] - [ -0.0005674300000000, 0.0002668400000000, 0.0005024300000000 ] - [ 0.0006477800000000, -0.0003317500000000, -0.0003691700000000 ] - [ 0.0002704600000000, -0.0002320700000000, 0.0002036200000000 ] - [ -0.0002071600000000, 0.0001893200000000, -0.0000167600000000 ] - [ -0.0001101800000000, 0.0001013800000000, -0.0000886900000000 ] - [ 0.0000353400000000, -0.0001436400000000, 0.0002913000000000 ] - [ 0.0003639900000000, 0.0000431600000000, 0.0001551800000000 ] - [ -0.0004184100000000, -0.0000925200000000, 0.0000514600000000 ] - [ -0.0018226700000000, 0.0005201700000000, 0.0004010500000000 ] - [ -0.0019022300000000, -0.0030080900000000, -0.0038167000000000 ] - [ 0.0015508300000000, -0.0000942200000000, 0.0010620600000000 ] - [ -0.0012853500000000, 0.0000741900000000, -0.0004967600000000 ] - [ 0.0000000100000000, 0.0004291600000000, -0.0001375100000000 ] - [ 0.0000002000000000, -0.0003363100000000, 0.0003498900000000 ] - [ 0.0002841400000000, 0.0000455600000000, 0.0001064300000000 ] - [ -0.0002614400000000, 0.0000466000000000, 0.0001060500000000 ] - [ -0.0005026900000000, 0.0026703600000000, -0.0005632300000000 ] - [ -0.0005032000000000, -0.0025736900000000, 0.0007759500000000 ] - [ 0.0033318100000000, 0.0000298800000000, 0.0001195900000000 ] - [ -0.0014233700000000, 0.0000394500000000, 0.0001092100000000 ] - [ 0.0001154500000000, 0.0000971300000000, -0.0000810600000000 ] - [ -0.0000330800000000, -0.0001457500000000, 0.0002996000000000 ] - [ 0.0004413000000000, -0.0000915600000000, 0.0000559200000000 ] - [ -0.0003360600000000, 0.0000411800000000, 0.0001580600000000 ] - [ -0.0017816100000000, 0.0029660800000000, 0.0040208600000000 ] - [ -0.0017464100000000, -0.0005507600000000, -0.0001769600000000 ] - [ 0.0016305500000000, 0.0000388300000000, -0.0008550800000000 ] - [ -0.0012081700000000, -0.0001297000000000, 0.0007051500000000 ] - [ -0.0028716500000000, -0.0000027500000000, -0.0003510200000000 ] - [ 0.0013895700000000, -0.0000010600000000, -0.0003416300000000 ] - [ 0.0000297000000000, -0.0007832400000000, -0.0006064000000000 ] - [ 0.0000318200000000, 0.0007857900000000, -0.0000829400000000 ] - [ -0.0012860600000000, -0.0000007100000000, -0.0003452700000000 ] - [ 0.0009657800000000, -0.0000004500000000, -0.0003441900000000 ] - [ 0.0000105900000000, -0.0005505900000000, -0.0004685100000000 ] - [ 0.0000116000000000, 0.0005517300000000, -0.0002184500000000 ] - [ -0.0001075100000000, 0.0000001900000000, -0.0003493100000000 ] - [ 0.0001035500000000, -0.0000001100000000, -0.0003481400000000 ] - [ 0.0000062300000000, -0.0000655100000000, -0.0007307900000000 ] - [ 0.0000055700000000, 0.0000653800000000, 0.0000349900000000 ] - [ -0.0015104100000000, 0.0000134500000000, -0.0003343500000000 ] - [ 0.0009183500000000, -0.0000019700000000, -0.0003470000000000 ] - [ 0.0058352000000000, -0.0042324000000000, 0.0053707000000000 ] - [ 0.0058661600000000, 0.0042677400000000, -0.0060956100000000 ] - [ 0.0056984600000000, -0.0072235000000000, 0.0032494500000000 ] - [ 0.0056578300000000, 0.0071520300000000, -0.0039100200000000 ] - [ -0.0067710900000000, 0.0000099700000000, -0.0003439800000000 ] - [ 0.0014599500000000, 0.0000054400000000, -0.0003494100000000 ] - [ 0.0000011000000000, -0.0000712600000000, -0.0004618900000000 ] - [ 0.0000012300000000, 0.0000707000000000, -0.0002392100000000 ] - [ -0.0001217900000000, 0.0000001600000000, -0.0003507600000000 ] - [ 0.0001204200000000, 0.0000002900000000, -0.0003506500000000 ] - [ -0.4793309800000000, -0.0080433900000000, -0.0057815600000000 ] - [ 0.0102606600000000, -0.0000155900000000, 0.0000540700000000 ] - [ -0.0003629600000000, -0.0061246200000000, 0.0009209300000000 ] - [ -0.0003495000000000, 0.0061351400000000, -0.0007919800000000 ] - [ -0.0003827900000000, -0.0000012600000000, 0.0000611900000000 ] - [ 0.0003834500000000, -0.0000015000000000, 0.0000617500000000 ] - [ 0.0000018000000000, -0.0002191400000000, 0.0000680000000000 ] - [ 0.0000004700000000, 0.0002216700000000, 0.0000549100000000 ] - [ -0.0028493800000000, 0.0000141100000000, 0.0000323200000000 ] - [ 0.0021496100000000, -0.0000062500000000, 0.0000534500000000 ] - [ 0.0052826600000000, -0.0046715600000000, -0.0055205000000000 ] - [ 0.0052505100000000, 0.0047010300000000, 0.0056265900000000 ] - [ -0.0010045700000000, 0.0000019000000000, 0.0000536400000000 ] - [ 0.0009036900000000, 0.0000021200000000, 0.0000535200000000 ] - [ 0.0000133400000000, -0.0005869000000000, 0.0003362700000000 ] - [ 0.0000130100000000, 0.0005883700000000, -0.0002303100000000 ] - [ 0.0000104900000000, -0.0005871300000000, 0.0007061700000000 ] - [ 0.0000158300000000, 0.0005870300000000, -0.0005568700000000 ] - [ -0.0010040900000000, 0.0000009300000000, 0.0000746100000000 ] - [ 0.0009033900000000, 0.0000043400000000, 0.0000754800000000 ] - [ 0.0052785800000000, -0.0047056000000000, -0.0018133400000000 ] - [ 0.0052549900000000, 0.0046663100000000, 0.0019135500000000 ] - [ -0.0028492500000000, 0.0000123900000000, 0.0000740000000000 ] - [ 0.0021498300000000, 0.0000087800000000, 0.0000739600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0781757400000000, 0.0451347800000000, 0.1401064400000000 ] - [ 0.0004746100000000, 0.0001667400000000, 0.0008140700000000 ] - [ -0.0003701600000000, -0.0002137100000000, 0.0006526700000000 ] - [ 0.0003817100000000, 0.0003276600000000, 0.0008140700000000 ] - [ -0.0000844900000000, -0.0000487800000000, -0.0002362500000000 ] - [ -0.0000854500000000, -0.0000407000000000, -0.0001726300000000 ] - [ -0.0000996100000000, -0.0000575100000000, -0.0001919900000000 ] - [ -0.0000779700000000, -0.0000536600000000, -0.0001726300000000 ] - [ 0.0000000000000000, -0.0902695700000000, 0.1401064400000000 ] - [ 0.0000000000000000, 0.0004274200000000, 0.0006526700000000 ] - [ 0.0000929000000000, -0.0004944000000000, 0.0008140700000000 ] - [ -0.0000929000000000, -0.0004944000000000, 0.0008140700000000 ] - [ 0.0000000000000000, 0.0000975600000000, -0.0002362500000000 ] - [ 0.0000000000000000, 0.0001150200000000, -0.0001919900000000 ] - [ -0.0000074800000000, 0.0000943600000000, -0.0001726300000000 ] - [ 0.0000074800000000, 0.0000943600000000, -0.0001726300000000 ] - [ -0.0781757400000000, 0.0451347800000000, 0.1401064400000000 ] - [ -0.0004746100000000, 0.0001667400000000, 0.0008140700000000 ] - [ -0.0003817100000000, 0.0003276600000000, 0.0008140700000000 ] - [ 0.0003701600000000, -0.0002137100000000, 0.0006526700000000 ] - [ 0.0000844900000000, -0.0000487800000000, -0.0002362500000000 ] - [ 0.0000854500000000, -0.0000407000000000, -0.0001726300000000 ] - [ 0.0000779700000000, -0.0000536600000000, -0.0001726300000000 ] - [ 0.0000996100000000, -0.0000575100000000, -0.0001919900000000 ] - [ 0.0004095300000000, 0.0008731600000000, 0.0002968900000000 ] - [ 0.0000712500000000, 0.0000411300000000, -0.0000698600000000 ] - [ 0.0009609500000000, -0.0000819100000000, 0.0002968900000000 ] - [ -0.0002421500000000, -0.0001398100000000, 0.0005485600000000 ] - [ -0.0002075600000000, -0.0003611300000000, -0.0003357200000000 ] - [ -0.0001018800000000, -0.0000588200000000, -0.0001630000000000 ] - [ -0.0004165300000000, 0.0000008100000000, -0.0003357200000000 ] - [ 0.0003391900000000, 0.0001958300000000, 0.0001814600000000 ] - [ -0.0005514100000000, -0.0007912500000000, 0.0002968900000000 ] - [ 0.0005514100000000, -0.0007912500000000, 0.0002968900000000 ] - [ 0.0000000000000000, -0.0000822700000000, -0.0000698600000000 ] - [ 0.0000000000000000, 0.0002796200000000, 0.0005485600000000 ] - [ 0.0002089700000000, 0.0003603200000000, -0.0003357200000000 ] - [ -0.0002089700000000, 0.0003603200000000, -0.0003357200000000 ] - [ 0.0000000000000000, 0.0001176400000000, -0.0001630000000000 ] - [ 0.0000000000000000, -0.0003916700000000, 0.0001814600000000 ] - [ -0.0000712500000000, 0.0000411300000000, -0.0000698600000000 ] - [ -0.0004095300000000, 0.0008731600000000, 0.0002968900000000 ] - [ -0.0009609500000000, -0.0000819100000000, 0.0002968900000000 ] - [ 0.0002421500000000, -0.0001398100000000, 0.0005485600000000 ] - [ 0.0001018800000000, -0.0000588200000000, -0.0001630000000000 ] - [ 0.0002075600000000, -0.0003611300000000, -0.0003357200000000 ] - [ 0.0004165300000000, 0.0000008100000000, -0.0003357200000000 ] - [ -0.0003391900000000, 0.0001958300000000, 0.0001814600000000 ] - [ -0.0001799500000000, -0.0000656000000000, -0.0001870700000000 ] - [ 0.0001511500000000, 0.0000872600000000, -0.0002022300000000 ] - [ -0.0001467900000000, -0.0001230500000000, -0.0001870700000000 ] - [ -0.0000412200000000, -0.0000238000000000, -0.0000852200000000 ] - [ 0.0022108500000000, 0.0007157800000000, 0.0015449800000000 ] - [ -0.0042359700000000, -0.0024456400000000, -0.0005885400000000 ] - [ 0.0017253100000000, 0.0015567600000000, 0.0015449800000000 ] - [ -0.0000497600000000, -0.0000287300000000, 0.0004285500000000 ] - [ -0.0000331700000000, 0.0001886400000000, -0.0001870700000000 ] - [ 0.0000331700000000, 0.0001886400000000, -0.0001870700000000 ] - [ 0.0000000000000000, -0.0001745300000000, -0.0002022300000000 ] - [ 0.0000000000000000, 0.0000476000000000, -0.0000852200000000 ] - [ 0.0004855400000000, -0.0022725400000000, 0.0015449800000000 ] - [ -0.0004855400000000, -0.0022725400000000, 0.0015449800000000 ] - [ 0.0000000000000000, 0.0048912700000000, -0.0005885400000000 ] - [ 0.0000000000000000, 0.0000574600000000, 0.0004285500000000 ] - [ -0.0001511500000000, 0.0000872600000000, -0.0002022300000000 ] - [ 0.0001799500000000, -0.0000656000000000, -0.0001870700000000 ] - [ 0.0001467900000000, -0.0001230500000000, -0.0001870700000000 ] - [ 0.0000412200000000, -0.0000238000000000, -0.0000852200000000 ] - [ 0.0042359700000000, -0.0024456400000000, -0.0005885400000000 ] - [ -0.0022108500000000, 0.0007157800000000, 0.0015449800000000 ] - [ -0.0017253100000000, 0.0015567600000000, 0.0015449800000000 ] - [ 0.0000497600000000, -0.0000287300000000, 0.0004285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030020400000000 ] - [ 0.0000000000000000, 0.0000951400000000, -0.0000346100000000 ] - [ -0.0000823900000000, -0.0000475700000000, -0.0000346100000000 ] - [ 0.0000823900000000, -0.0000475700000000, -0.0000346100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019623200000000 ] - [ 0.0000000000000000, -0.0003208000000000, -0.0001640600000000 ] - [ 0.0002778200000000, 0.0001604000000000, -0.0001640600000000 ] - [ -0.0002778200000000, 0.0001604000000000, -0.0001640600000000 ] - [ 0.0000000000000000, -0.0000652600000000, 0.0000991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000957400000000 ] - [ -0.0000565200000000, 0.0000326300000000, 0.0000991100000000 ] - [ 0.0000565200000000, 0.0000326300000000, 0.0000991100000000 ] - [ 0.0000000000000000, 0.0023149400000000, -0.0022466400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014551200000000 ] - [ 0.0020048000000000, -0.0011574700000000, -0.0022466400000000 ] - [ -0.0020048000000000, -0.0011574700000000, -0.0022466400000000 ] - [ 0.0030351500000000, -0.0017523500000000, -0.0000097800000000 ] - [ -0.0030351500000000, -0.0017523500000000, -0.0000097800000000 ] - [ 0.0000000000000000, 0.0035046900000000, -0.0000097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004435800000000 ] - [ -0.0000102800000000, 0.0000059400000000, 0.0001448300000000 ] - [ 0.0000102800000000, 0.0000059400000000, 0.0001448300000000 ] - [ 0.0000000000000000, -0.0000118700000000, 0.0001448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4235047500000000 ] - [ 0.0000000000000000, -0.0009820100000000, -0.0016230300000000 ] - [ 0.0008504500000000, 0.0004910100000000, -0.0016230300000000 ] - [ -0.0008504500000000, 0.0004910100000000, -0.0016230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005579500000000 ] - [ 0.0000000000000000, -0.0000066600000000, 0.0004271500000000 ] - [ 0.0000057600000000, 0.0000033300000000, 0.0004271500000000 ] - [ -0.0000057600000000, 0.0000033300000000, 0.0004271500000000 ] - [ 0.0000000000000000, -0.0021476900000000, -0.0009565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973900000000 ] - [ -0.0018599500000000, 0.0010738500000000, -0.0009565100000000 ] - [ 0.0018599500000000, 0.0010738500000000, -0.0009565100000000 ] - [ 0.0000000000000000, 0.0007255800000000, 0.0004151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399100000000 ] - [ 0.0006283700000000, -0.0003627900000000, 0.0004151300000000 ] - [ -0.0006283700000000, -0.0003627900000000, 0.0004151300000000 ] - [ 0.0002840700000000, -0.0001640100000000, 0.0004373900000000 ] - [ -0.0002840700000000, -0.0001640100000000, 0.0004373900000000 ] - [ 0.0000000000000000, 0.0003280200000000, 0.0004373900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595800000000 ] - [ -0.0055366400000000, 0.0031965800000000, -0.0009049500000000 ] - [ 0.0055366400000000, 0.0031965800000000, -0.0009049500000000 ] - [ 0.0000000000000000, -0.0063931600000000, -0.0009049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001753800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0749969700000000, -0.0432995200000000, -0.1381408500000000 ] - [ -0.0005908100000000, -0.0002336900000000, -0.0006415800000000 ] - [ 0.0002614600000000, 0.0001509500000000, -0.0004769500000000 ] - [ -0.0004977900000000, -0.0003948200000000, -0.0006415800000000 ] - [ -0.0000256900000000, -0.0000148300000000, 0.0004178800000000 ] - [ -0.0000205400000000, -0.0000196300000000, 0.0003548500000000 ] - [ -0.0000130600000000, -0.0000075400000000, 0.0003749400000000 ] - [ -0.0000272700000000, -0.0000079700000000, 0.0003548500000000 ] - [ 0.0000000000000000, 0.0865990500000000, -0.1381408500000000 ] - [ 0.0000000000000000, -0.0003019000000000, -0.0004769500000000 ] - [ -0.0000930300000000, 0.0006285100000000, -0.0006415800000000 ] - [ 0.0000930300000000, 0.0006285100000000, -0.0006415800000000 ] - [ 0.0000000000000000, 0.0000296600000000, 0.0004178800000000 ] - [ 0.0000000000000000, 0.0000150900000000, 0.0003749400000000 ] - [ 0.0000067300000000, 0.0000276000000000, 0.0003548500000000 ] - [ -0.0000067300000000, 0.0000276000000000, 0.0003548500000000 ] - [ 0.0749969700000000, -0.0432995200000000, -0.1381408500000000 ] - [ 0.0005908100000000, -0.0002336900000000, -0.0006415800000000 ] - [ 0.0004977900000000, -0.0003948200000000, -0.0006415800000000 ] - [ -0.0002614600000000, 0.0001509500000000, -0.0004769500000000 ] - [ 0.0000256900000000, -0.0000148300000000, 0.0004178800000000 ] - [ 0.0000205400000000, -0.0000196300000000, 0.0003548500000000 ] - [ 0.0000272700000000, -0.0000079700000000, 0.0003548500000000 ] - [ 0.0000130600000000, -0.0000075400000000, 0.0003749400000000 ] - [ -0.0004733800000000, -0.0009061600000000, -0.0001050500000000 ] - [ -0.0001430300000000, -0.0000825800000000, 0.0002510300000000 ] - [ -0.0010214500000000, 0.0000431200000000, -0.0001050500000000 ] - [ 0.0001723400000000, 0.0000995000000000, -0.0003538900000000 ] - [ 0.0001363300000000, 0.0003217200000000, 0.0005166300000000 ] - [ 0.0000279600000000, 0.0000161400000000, 0.0003406200000000 ] - [ 0.0003467800000000, -0.0000427900000000, 0.0005166300000000 ] - [ -0.0004129300000000, -0.0002384000000000, -0.0000058800000000 ] - [ 0.0005480700000000, 0.0008630500000000, -0.0001050500000000 ] - [ -0.0005480700000000, 0.0008630500000000, -0.0001050500000000 ] - [ 0.0000000000000000, 0.0001651600000000, 0.0002510300000000 ] - [ 0.0000000000000000, -0.0001990000000000, -0.0003538900000000 ] - [ -0.0002104500000000, -0.0002789200000000, 0.0005166300000000 ] - [ 0.0002104500000000, -0.0002789200000000, 0.0005166300000000 ] - [ 0.0000000000000000, -0.0000322800000000, 0.0003406200000000 ] - [ 0.0000000000000000, 0.0004768100000000, -0.0000058800000000 ] - [ 0.0001430300000000, -0.0000825800000000, 0.0002510300000000 ] - [ 0.0004733800000000, -0.0009061600000000, -0.0001050500000000 ] - [ 0.0010214500000000, 0.0000431200000000, -0.0001050500000000 ] - [ -0.0001723400000000, 0.0000995000000000, -0.0003538900000000 ] - [ -0.0000279600000000, 0.0000161400000000, 0.0003406200000000 ] - [ -0.0001363300000000, 0.0003217200000000, 0.0005166300000000 ] - [ -0.0003467800000000, -0.0000427900000000, 0.0005166300000000 ] - [ 0.0004129300000000, -0.0002384000000000, -0.0000058800000000 ] - [ 0.0000938400000000, 0.0000185400000000, 0.0003991300000000 ] - [ -0.0002232500000000, -0.0001288900000000, 0.0004135000000000 ] - [ 0.0000629800000000, 0.0000720000000000, 0.0003991300000000 ] - [ -0.0000374000000000, -0.0000215900000000, 0.0002989300000000 ] - [ -0.0023055000000000, -0.0007659800000000, -0.0013508900000000 ] - [ 0.0042257400000000, 0.0024397300000000, 0.0007894800000000 ] - [ -0.0018161100000000, -0.0016136300000000, -0.0013508900000000 ] - [ -0.0000240100000000, -0.0000138600000000, -0.0002193700000000 ] - [ 0.0000308600000000, -0.0000905400000000, 0.0003991300000000 ] - [ -0.0000308600000000, -0.0000905400000000, 0.0003991300000000 ] - [ 0.0000000000000000, 0.0002577900000000, 0.0004135000000000 ] - [ 0.0000000000000000, 0.0000431900000000, 0.0002989300000000 ] - [ -0.0004893900000000, 0.0023796100000000, -0.0013508900000000 ] - [ 0.0004893900000000, 0.0023796100000000, -0.0013508900000000 ] - [ 0.0000000000000000, -0.0048794600000000, 0.0007894800000000 ] - [ 0.0000000000000000, 0.0000277200000000, -0.0002193700000000 ] - [ 0.0002232500000000, -0.0001288900000000, 0.0004135000000000 ] - [ -0.0000938400000000, 0.0000185400000000, 0.0003991300000000 ] - [ -0.0000629800000000, 0.0000720000000000, 0.0003991300000000 ] - [ 0.0000374000000000, -0.0000215900000000, 0.0002989300000000 ] - [ -0.0042257400000000, 0.0024397300000000, 0.0007894800000000 ] - [ 0.0023055000000000, -0.0007659800000000, -0.0013508900000000 ] - [ 0.0018161100000000, -0.0016136300000000, -0.0013508900000000 ] - [ 0.0000240100000000, -0.0000138600000000, -0.0002193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036469100000000 ] - [ 0.0000000000000000, -0.0000962500000000, -0.0006571100000000 ] - [ 0.0000833500000000, 0.0000481200000000, -0.0006571100000000 ] - [ -0.0000833500000000, 0.0000481200000000, -0.0006571100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026684100000000 ] - [ 0.0000000000000000, 0.0003234100000000, -0.0005228700000000 ] - [ -0.0002800800000000, -0.0001617000000000, -0.0005228700000000 ] - [ 0.0002800800000000, -0.0001617000000000, -0.0005228700000000 ] - [ 0.0000000000000000, 0.0000638100000000, -0.0007979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007942000000000 ] - [ 0.0000552600000000, -0.0000319100000000, -0.0007979900000000 ] - [ -0.0000552600000000, -0.0000319100000000, -0.0007979900000000 ] - [ 0.0000000000000000, -0.0023212000000000, 0.0015734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007699400000000 ] - [ -0.0020102200000000, 0.0011606000000000, 0.0015734100000000 ] - [ 0.0020102200000000, 0.0011606000000000, 0.0015734100000000 ] - [ -0.0030307000000000, 0.0017497800000000, -0.0007143400000000 ] - [ 0.0030307000000000, 0.0017497800000000, -0.0007143400000000 ] - [ 0.0000000000000000, -0.0034995500000000, -0.0007143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002597400000000 ] - [ 0.0000113200000000, -0.0000065400000000, -0.0008481900000000 ] - [ -0.0000113200000000, -0.0000065400000000, -0.0008481900000000 ] - [ 0.0000000000000000, 0.0000130700000000, -0.0008481900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4183701000000000 ] - [ 0.0000000000000000, 0.0009941100000000, 0.0017622600000000 ] - [ -0.0008609200000000, -0.0004970500000000, 0.0017622600000000 ] - [ 0.0008609200000000, -0.0004970500000000, 0.0017622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004381000000000 ] - [ 0.0000000000000000, 0.0000075200000000, -0.0003073900000000 ] - [ -0.0000065100000000, -0.0000037600000000, -0.0003073900000000 ] - [ 0.0000065100000000, -0.0000037600000000, -0.0003073900000000 ] - [ 0.0000000000000000, 0.0021518800000000, 0.0010115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004900000000 ] - [ 0.0018635800000000, -0.0010759400000000, 0.0010115100000000 ] - [ -0.0018635800000000, -0.0010759400000000, 0.0010115100000000 ] - [ 0.0000000000000000, -0.0007320700000000, -0.0003112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321400000000 ] - [ -0.0006339900000000, 0.0003660400000000, -0.0003112500000000 ] - [ 0.0006339900000000, 0.0003660400000000, -0.0003112500000000 ] - [ -0.0002799200000000, 0.0001616100000000, -0.0002906800000000 ] - [ 0.0002799200000000, 0.0001616100000000, -0.0002906800000000 ] - [ 0.0000000000000000, -0.0003232200000000, -0.0002906800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133900000000 ] - [ 0.0056130900000000, -0.0032407200000000, 0.0010645000000000 ] - [ -0.0056130900000000, -0.0032407200000000, 0.0010645000000000 ] - [ 0.0000000000000000, 0.0064814400000000, 0.0010645000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003245400000000 ]