# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4e5fa11a-9b59-475f-8756-eb49f71e8fed/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 PNO / Cc (9) / materials id 36066](https://mdr.nims.go.jp/datasets/c1a87012-9d68-4e33-b195-4b19dc1adef7) ## 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: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 3.297089255000000, -3.301354660000000, 0.013131190000000 ] # a - [ 3.297089255000000, 3.301354660000000, 0.013131190000000 ] # b - [ -3.045749500000000, 0.000000000000000, 3.493890130000000 ] # c points: - symbol: N # 1 coordinates: [ 0.743217610000000, 0.382771090000000, 0.251738540000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.382771090000000, 0.743217610000000, 0.751738540000000 ] mass: 14.006700 - symbol: O # 3 coordinates: [ 0.881169970000000, 0.002270990000000, 0.747988010000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.002270990000000, 0.881169970000000, 0.247988010000000 ] mass: 15.999400 - symbol: P # 5 coordinates: [ 0.730111700000000, 0.010458680000000, 0.000273430000000 ] mass: 30.973762 - symbol: P # 6 coordinates: [ 0.010458680000000, 0.730111700000000, 0.500273430000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.151124235026602, -0.151452979608074, 0.131740422893651 ] # a* - [ 0.151124235026602, 0.151452979608074, 0.131740422893651 ] # b* - [ -0.001135949311456, 0.000000000000000, 0.285223675007951 ] # c*unit_cell: lattice: - [ 6.594178510000000, 0.000000000000000, 0.026262380000000 ] # a - [ 0.000000000000000, 6.602709320000000, 0.000000000000000 ] # b - [ -3.045749500000000, 0.000000000000000, 3.493890130000000 ] # c points: - symbol: N # 1 coordinates: [ 0.062994350000000, 0.319776740000000, 0.251738540000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.062994350000000, 0.680223260000000, 0.751738540000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.562994350000000, 0.819776740000000, 0.251738540000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.562994350000000, 0.180223260000000, 0.751738540000000 ] mass: 14.006700 reduced_to: 2 - symbol: O # 5 coordinates: [ 0.441720480000000, 0.560550510000000, 0.747988010000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.941720480000000, 0.939449490000000, 0.247988010000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.941720480000000, 0.060550510000000, 0.747988010000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.441720480000000, 0.439449490000000, 0.247988010000000 ] mass: 15.999400 reduced_to: 6 - symbol: P # 9 coordinates: [ 0.870285190000000, 0.140173490000000, 0.000273430000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.870285190000000, 0.859826510000000, 0.500273430000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.370285190000000, 0.640173490000000, 0.000273430000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 12 coordinates: [ 0.370285190000000, 0.359826510000000, 0.500273430000000 ] mass: 30.973762 reduced_to: 10supercell: lattice: - [ 13.188357020000000, 0.000000000000000, 0.052524760000000 ] # a - [ 0.000000000000000, 13.205418640000000, 0.000000000000000 ] # b - [ -9.137248500000000, 0.000000000000000, 10.481670390000000 ] # c points: - symbol: N # 1 coordinates: [ 0.031497175000000, 0.159888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.531497175000000, 0.159888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.031497175000000, 0.659888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.531497175000000, 0.659888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.031497175000000, 0.159888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 6 coordinates: [ 0.531497175000000, 0.159888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 7 coordinates: [ 0.031497175000000, 0.659888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.531497175000000, 0.659888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 9 coordinates: [ 0.031497175000000, 0.159888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 10 coordinates: [ 0.531497175000000, 0.159888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 11 coordinates: [ 0.031497175000000, 0.659888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 12 coordinates: [ 0.531497175000000, 0.659888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 13 coordinates: [ 0.031497175000000, 0.340111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 14 coordinates: [ 0.531497175000000, 0.340111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 15 coordinates: [ 0.031497175000000, 0.840111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 16 coordinates: [ 0.531497175000000, 0.840111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 17 coordinates: [ 0.031497175000000, 0.340111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 18 coordinates: [ 0.531497175000000, 0.340111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 19 coordinates: [ 0.031497175000000, 0.840111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 20 coordinates: [ 0.531497175000000, 0.840111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 21 coordinates: [ 0.031497175000000, 0.340111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 22 coordinates: [ 0.531497175000000, 0.340111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 23 coordinates: [ 0.031497175000000, 0.840111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 24 coordinates: [ 0.531497175000000, 0.840111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 25 coordinates: [ 0.281497175000000, 0.409888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 26 coordinates: [ 0.781497175000000, 0.409888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 27 coordinates: [ 0.281497175000000, 0.909888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 28 coordinates: [ 0.781497175000000, 0.909888370000000, 0.083912846666667 ] mass: 14.006700 reduced_to: 1 - symbol: N # 29 coordinates: [ 0.281497175000000, 0.409888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 30 coordinates: [ 0.781497175000000, 0.409888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 31 coordinates: [ 0.281497175000000, 0.909888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 32 coordinates: [ 0.781497175000000, 0.909888370000000, 0.417246180000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 33 coordinates: [ 0.281497175000000, 0.409888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 34 coordinates: [ 0.781497175000000, 0.409888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 35 coordinates: [ 0.281497175000000, 0.909888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 36 coordinates: [ 0.781497175000000, 0.909888370000000, 0.750579513333333 ] mass: 14.006700 reduced_to: 1 - symbol: N # 37 coordinates: [ 0.281497175000000, 0.090111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 38 coordinates: [ 0.781497175000000, 0.090111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 39 coordinates: [ 0.281497175000000, 0.590111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 40 coordinates: [ 0.781497175000000, 0.590111630000000, 0.250579513333333 ] mass: 14.006700 reduced_to: 13 - symbol: N # 41 coordinates: [ 0.281497175000000, 0.090111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 42 coordinates: [ 0.781497175000000, 0.090111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 43 coordinates: [ 0.281497175000000, 0.590111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 44 coordinates: [ 0.781497175000000, 0.590111630000000, 0.583912846666667 ] mass: 14.006700 reduced_to: 13 - symbol: N # 45 coordinates: [ 0.281497175000000, 0.090111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 46 coordinates: [ 0.781497175000000, 0.090111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 47 coordinates: [ 0.281497175000000, 0.590111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 48 coordinates: [ 0.781497175000000, 0.590111630000000, 0.917246180000000 ] mass: 14.006700 reduced_to: 13 - symbol: O # 49 coordinates: [ 0.220860240000000, 0.280275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.720860240000000, 0.280275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.220860240000000, 0.780275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.720860240000000, 0.780275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.220860240000000, 0.280275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.720860240000000, 0.280275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.220860240000000, 0.780275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.720860240000000, 0.780275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.220860240000000, 0.280275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.720860240000000, 0.280275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.220860240000000, 0.780275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.720860240000000, 0.780275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.470860240000000, 0.469724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.970860240000000, 0.469724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.470860240000000, 0.969724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.970860240000000, 0.969724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.470860240000000, 0.469724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.970860240000000, 0.469724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.470860240000000, 0.969724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 68 coordinates: [ 0.970860240000000, 0.969724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 69 coordinates: [ 0.470860240000000, 0.469724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 70 coordinates: [ 0.970860240000000, 0.469724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 71 coordinates: [ 0.470860240000000, 0.969724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 72 coordinates: [ 0.970860240000000, 0.969724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 73 coordinates: [ 0.470860240000000, 0.030275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.970860240000000, 0.030275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.470860240000000, 0.530275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.970860240000000, 0.530275255000000, 0.249329336666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.470860240000000, 0.030275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.970860240000000, 0.030275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.470860240000000, 0.530275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.970860240000000, 0.530275255000000, 0.582662670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 81 coordinates: [ 0.470860240000000, 0.030275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.970860240000000, 0.030275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 83 coordinates: [ 0.470860240000000, 0.530275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 84 coordinates: [ 0.970860240000000, 0.530275255000000, 0.915996003333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 85 coordinates: [ 0.220860240000000, 0.219724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.720860240000000, 0.219724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.220860240000000, 0.719724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.720860240000000, 0.719724745000000, 0.082662670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.220860240000000, 0.219724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.720860240000000, 0.219724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 91 coordinates: [ 0.220860240000000, 0.719724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.720860240000000, 0.719724745000000, 0.415996003333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 93 coordinates: [ 0.220860240000000, 0.219724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.720860240000000, 0.219724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.220860240000000, 0.719724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.720860240000000, 0.719724745000000, 0.749329336666667 ] mass: 15.999400 reduced_to: 61 - symbol: P # 97 coordinates: [ 0.435142595000000, 0.070086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.935142595000000, 0.070086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.435142595000000, 0.570086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 100 coordinates: [ 0.935142595000000, 0.570086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 101 coordinates: [ 0.435142595000000, 0.070086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 102 coordinates: [ 0.935142595000000, 0.070086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 103 coordinates: [ 0.435142595000000, 0.570086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 104 coordinates: [ 0.935142595000000, 0.570086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 105 coordinates: [ 0.435142595000000, 0.070086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 106 coordinates: [ 0.935142595000000, 0.070086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 107 coordinates: [ 0.435142595000000, 0.570086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 108 coordinates: [ 0.935142595000000, 0.570086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 109 coordinates: [ 0.435142595000000, 0.429913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 110 coordinates: [ 0.935142595000000, 0.429913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 111 coordinates: [ 0.435142595000000, 0.929913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 112 coordinates: [ 0.935142595000000, 0.929913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 113 coordinates: [ 0.435142595000000, 0.429913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 114 coordinates: [ 0.935142595000000, 0.429913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 115 coordinates: [ 0.435142595000000, 0.929913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 116 coordinates: [ 0.935142595000000, 0.929913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 117 coordinates: [ 0.435142595000000, 0.429913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 118 coordinates: [ 0.935142595000000, 0.429913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 119 coordinates: [ 0.435142595000000, 0.929913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 120 coordinates: [ 0.935142595000000, 0.929913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 121 coordinates: [ 0.185142595000000, 0.320086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 122 coordinates: [ 0.685142595000000, 0.320086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 123 coordinates: [ 0.185142595000000, 0.820086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 124 coordinates: [ 0.685142595000000, 0.820086745000000, 0.000091143333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 125 coordinates: [ 0.185142595000000, 0.320086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 126 coordinates: [ 0.685142595000000, 0.320086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 127 coordinates: [ 0.185142595000000, 0.820086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 128 coordinates: [ 0.685142595000000, 0.820086745000000, 0.333424476666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 129 coordinates: [ 0.185142595000000, 0.320086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 130 coordinates: [ 0.685142595000000, 0.320086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 131 coordinates: [ 0.185142595000000, 0.820086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 132 coordinates: [ 0.685142595000000, 0.820086745000000, 0.666757810000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 133 coordinates: [ 0.185142595000000, 0.179913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 134 coordinates: [ 0.685142595000000, 0.179913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 135 coordinates: [ 0.185142595000000, 0.679913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 136 coordinates: [ 0.685142595000000, 0.679913255000000, 0.166757810000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 137 coordinates: [ 0.185142595000000, 0.179913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 138 coordinates: [ 0.685142595000000, 0.179913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 139 coordinates: [ 0.185142595000000, 0.679913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 140 coordinates: [ 0.685142595000000, 0.679913255000000, 0.500091143333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 141 coordinates: [ 0.185142595000000, 0.179913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 142 coordinates: [ 0.685142595000000, 0.179913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 143 coordinates: [ 0.185142595000000, 0.679913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 144 coordinates: [ 0.685142595000000, 0.679913255000000, 0.833424476666667 ] mass: 30.973762 reduced_to: 109born_effective_charge:- # 1 (N) - [ -2.291180650000000, -0.771269290000000, -1.162308620000000 ] - [ -0.757290960000000, -1.894438760000000, -0.795615480000000 ] - [ -1.128127270000000, -0.747575200000000, -2.263023840000000 ]- # 2 (N) - [ -2.291180650000000, 0.771269290000000, -1.162308620000000 ] - [ 0.757290960000000, -1.894438760000000, 0.795615480000000 ] - [ -1.128127270000000, 0.747575200000000, -2.263023840000001 ]- # 3 (O) - [ -1.848165830000000, 0.822313540000000, 0.655402720000000 ] - [ 0.812086030000000, -2.160912350000000, -0.976222750000000 ] - [ 0.585260420000000, -0.917026090000000, -1.913860520000000 ]- # 4 (O) - [ -1.848165830000000, -0.822313540000000, 0.655402720000000 ] - [ -0.812086030000000, -2.160912350000000, 0.976222750000000 ] - [ 0.585260420000000, 0.917026090000000, -1.913860520000001 ]- # 5 (P) - [ 4.139346490000000, 1.014537660000000, 0.506905910000000 ] - [ -0.971773800000000, 4.055351110000000, 0.148813740000000 ] - [ 0.542866850000000, 0.373157090000000, 4.176884360000000 ]- # 6 (P) - [ 4.139346490000000, -1.014537660000000, 0.506905910000000 ] - [ 0.971773800000000, 4.055351110000000, -0.148813740000000 ] - [ 0.542866850000000, -0.373157090000000, 4.176884360000000 ]dielectric_constant: - [ 3.221099210000000, 0.000000000000000, 0.347731980000000 ] - [ 0.000000000000000, 3.135367090000000, 0.000000000000000 ] - [ 0.347711890000000, 0.000000000000000, 3.212719750000000 ]displacements:- atom: 1 displacement: [ 0.0099999206929856, 0.0000000000000000, 0.0000398262978187 ] forces: - [ -0.3610496200000000, -0.1719074300000000, -0.2555425500000000 ] - [ 0.0021467900000000, 0.0009195200000000, 0.0010887100000000 ] - [ -0.0005833000000000, 0.0009808300000000, 0.0005392500000000 ] - [ 0.0009467500000000, 0.0011659200000000, 0.0007377600000000 ] - [ -0.0002282200000000, -0.0006085300000000, -0.0006412600000000 ] - [ 0.0054770100000000, 0.0028535000000000, 0.0060032900000000 ] - [ 0.0002721100000000, 0.0009193700000000, 0.0004868600000000 ] - [ 0.0001657600000000, 0.0010234100000000, 0.0009956500000000 ] - [ -0.0002343300000000, -0.0005985100000000, -0.0006985400000000 ] - [ 0.0054596000000000, 0.0000502600000000, 0.0064893900000000 ] - [ 0.0002707800000000, 0.0009572100000000, 0.0005727300000000 ] - [ 0.0001660400000000, 0.0010240500000000, 0.0010574900000000 ] - [ -0.0033968400000000, -0.0011059000000000, -0.0019654600000000 ] - [ 0.0021934000000000, -0.0006368900000000, 0.0017868500000000 ] - [ -0.0015017700000000, 0.0022111500000000, -0.0034208200000000 ] - [ 0.0011757000000000, -0.0016733500000000, 0.0010107500000000 ] - [ 0.0005970600000000, -0.0005778700000000, 0.0005040200000000 ] - [ 0.0005906900000000, -0.0017361900000000, 0.0025265200000000 ] - [ 0.0004896600000000, -0.0004983400000000, 0.0005321200000000 ] - [ -0.0003330000000000, -0.0007858800000000, 0.0016502400000000 ] - [ -0.0033940400000000, 0.0039572100000000, -0.0046850100000000 ] - [ 0.0021908700000000, -0.0020873000000000, 0.0013321500000000 ] - [ -0.0015314700000000, 0.0003562400000000, -0.0000966900000000 ] - [ 0.0011766800000000, -0.0003832000000000, 0.0012305700000000 ] - [ 0.0034553800000000, 0.0059490000000000, 0.0015161800000000 ] - [ -0.0004369300000000, -0.0008463900000000, -0.0010746200000000 ] - [ -0.0004461100000000, -0.0011708800000000, -0.0009163600000000 ] - [ 0.0034553200000000, 0.0034167700000000, 0.0014010700000000 ] - [ -0.0008759500000000, 0.0022759300000000, 0.0029127700000000 ] - [ 0.0010236500000000, 0.0010154200000000, 0.0010528700000000 ] - [ -0.0020781500000000, -0.0005951600000000, -0.0000663500000000 ] - [ 0.0009551600000000, 0.0007731200000000, 0.0008521800000000 ] - [ 0.0009547100000000, 0.0007392400000000, 0.0009449000000000 ] - [ -0.0020746700000000, -0.0005162000000000, -0.0003398200000000 ] - [ 0.0010221000000000, 0.0008693100000000, 0.0008784800000000 ] - [ -0.0008497800000000, 0.0011890000000000, 0.0011870300000000 ] - [ 0.0195194300000000, -0.0097272700000000, 0.0236141900000000 ] - [ 0.0019392800000000, -0.0013795600000000, 0.0005786700000000 ] - [ -0.0006915900000000, 0.0004004400000000, 0.0002384900000000 ] - [ 0.0003817200000000, -0.0004153200000000, 0.0003524200000000 ] - [ 0.0011371500000000, -0.0008453700000000, 0.0023018500000000 ] - [ 0.0011419000000000, -0.0015117200000000, 0.0021495000000000 ] - [ -0.0000730600000000, -0.0002137700000000, 0.0005434800000000 ] - [ -0.0000730100000000, -0.0002421500000000, 0.0004542200000000 ] - [ 0.0019397700000000, -0.0016027800000000, 0.0005261300000000 ] - [ 0.0192836900000000, 0.0040536100000000, 0.0307829300000000 ] - [ 0.0003809900000000, -0.0000839700000000, 0.0002187900000000 ] - [ -0.0006913200000000, -0.0000440100000000, 0.0003905400000000 ] - [ -0.0039507900000000, 0.0121115100000000, 0.0157742000000000 ] - [ 0.0018976500000000, -0.0007971800000000, -0.0013558900000000 ] - [ -0.0012874400000000, 0.0014021000000000, 0.0000267300000000 ] - [ 0.0009502500000000, 0.0002389300000000, -0.0006165800000000 ] - [ 0.0003915400000000, -0.0002061700000000, -0.0004585800000000 ] - [ -0.0007758600000000, 0.0012439500000000, 0.0018077800000000 ] - [ 0.0002428800000000, 0.0006625000000000, -0.0003288700000000 ] - [ -0.0002518500000000, 0.0010412300000000, 0.0004648000000000 ] - [ 0.0027652400000000, -0.0003294700000000, -0.0046166000000000 ] - [ 0.0044466600000000, -0.0053556200000000, -0.0012657500000000 ] - [ -0.0000149800000000, 0.0003077500000000, -0.0006825900000000 ] - [ -0.0001902800000000, 0.0019899700000000, 0.0008181100000000 ] - [ 0.0019482900000000, 0.0009744500000000, -0.0010742800000000 ] - [ -0.0007921200000000, -0.0006441000000000, -0.0001007500000000 ] - [ 0.0012610700000000, -0.0002946900000000, -0.0011003100000000 ] - [ 0.0066358200000000, 0.0230501800000000, -0.0023527200000000 ] - [ -0.0000851500000000, -0.0002329100000000, 0.0003664800000000 ] - [ 0.0006024900000000, 0.0000166400000000, -0.0006352000000000 ] - [ -0.0009341500000000, -0.0048777000000000, 0.0041914400000000 ] - [ 0.0016673100000000, 0.0003200200000000, -0.0017349200000000 ] - [ 0.0001299100000000, -0.0007637800000000, 0.0001835700000000 ] - [ 0.0002278500000000, 0.0008579500000000, -0.0014468600000000 ] - [ 0.0014347400000000, 0.0006988500000000, -0.0001095200000000 ] - [ -0.0008583300000000, -0.0013452900000000, 0.0008566700000000 ] - [ 0.0042990200000000, -0.0030999900000000, -0.0014353100000000 ] - [ 0.0039793300000000, 0.0007212300000000, -0.0038930900000000 ] - [ -0.0000901200000000, 0.0016490200000000, 0.0009510900000000 ] - [ 0.0000669500000000, 0.0002824200000000, -0.0005707600000000 ] - [ -0.0014674800000000, 0.0021666600000000, 0.0025153400000000 ] - [ 0.0009519100000000, -0.0004732700000000, -0.0009662600000000 ] - [ -0.0001769400000000, 0.0011572800000000, 0.0007206100000000 ] - [ 0.0003955100000000, 0.0005296800000000, -0.0004039600000000 ] - [ 0.0018531400000000, -0.0003088800000000, -0.0010774800000000 ] - [ -0.0066066000000000, -0.0018057400000000, -0.0031679300000000 ] - [ 0.0008524200000000, -0.0001059400000000, -0.0006465900000000 ] - [ -0.0012788500000000, 0.0019958200000000, 0.0002067400000000 ] - [ 0.0305067600000000, 0.0221271000000000, -0.0032334300000000 ] - [ 0.0025366200000000, -0.0006127600000000, -0.0015018700000000 ] - [ -0.0004613800000000, -0.0005429800000000, -0.0003707100000000 ] - [ 0.0012678100000000, 0.0011403000000000, -0.0009030600000000 ] - [ -0.0031095600000000, -0.0023986900000000, 0.0020017400000000 ] - [ 0.0016457200000000, 0.0002762000000000, -0.0002212400000000 ] - [ -0.0002783200000000, 0.0000809700000000, -0.0009342300000000 ] - [ 0.0003883600000000, -0.0002925400000000, -0.0001734600000000 ] - [ 0.0012872200000000, -0.0001071000000000, -0.0014149100000000 ] - [ -0.0030701400000000, -0.0067349300000000, 0.0056739200000000 ] - [ 0.0006042700000000, 0.0001401500000000, -0.0006868700000000 ] - [ -0.0000718000000000, -0.0002844400000000, 0.0001970900000000 ] - [ -0.0041629300000000, 0.0002256800000000, -0.0001162300000000 ] - [ 0.0737769200000000, 0.0817735700000000, 0.0617430300000000 ] - [ -0.0016597400000000, -0.0013739200000000, 0.0006302700000000 ] - [ 0.0017534600000000, -0.0003767900000000, -0.0008907900000000 ] - [ -0.0156138500000000, 0.0062714500000000, -0.0099470700000000 ] - [ -0.0046553400000000, 0.0016731600000000, 0.0035831500000000 ] - [ 0.0008854400000000, -0.0012493800000000, -0.0010245600000000 ] - [ -0.0005479600000000, -0.0004113300000000, 0.0001209200000000 ] - [ -0.0023590100000000, -0.0048215300000000, -0.0062156500000000 ] - [ -0.0004113700000000, 0.0026461100000000, -0.0001991400000000 ] - [ 0.0004775900000000, -0.0003094800000000, -0.0012372900000000 ] - [ -0.0003874900000000, -0.0007736700000000, 0.0001350600000000 ] - [ -0.0056144800000000, -0.0024663400000000, -0.0032888400000000 ] - [ 0.0018255200000000, 0.0006091300000000, 0.0014126000000000 ] - [ -0.0021486200000000, 0.0039623700000000, 0.0021218800000000 ] - [ -0.0109483500000000, -0.0077341600000000, 0.0090983000000000 ] - [ -0.0016679800000000, -0.0007385500000000, -0.0032662600000000 ] - [ -0.0012489900000000, -0.0003569200000000, -0.0002145400000000 ] - [ 0.0046117600000000, 0.0012630100000000, -0.0046349700000000 ] - [ -0.0020539900000000, -0.0001586400000000, 0.0004902200000000 ] - [ -0.0016806500000000, 0.0015576300000000, -0.0014484300000000 ] - [ 0.0033804400000000, -0.0038328800000000, 0.0029629300000000 ] - [ -0.0028885100000000, 0.0001087700000000, 0.0000748600000000 ] - [ 0.0017228900000000, -0.0017908400000000, -0.0023845800000000 ] - [ -0.0029528400000000, -0.0204728000000000, 0.0163375900000000 ] - [ -0.0057811700000000, 0.0043882800000000, 0.0025054600000000 ] - [ 0.0020511300000000, 0.0013796800000000, 0.0017353000000000 ] - [ -0.0020860200000000, -0.0039800800000000, -0.0024192800000000 ] - [ 0.0156316300000000, -0.0035959200000000, -0.0062927200000000 ] - [ -0.0033962300000000, 0.0000675100000000, -0.0004319600000000 ] - [ 0.0047704800000000, -0.0002920800000000, 0.0028315200000000 ] - [ -0.0020860900000000, 0.0002821900000000, -0.0008764700000000 ] - [ -0.0016900500000000, -0.0004843500000000, 0.0005207700000000 ] - [ 0.0023084100000000, 0.0053213100000000, -0.0045885200000000 ] - [ -0.0007837400000000, -0.0007041800000000, -0.0003017500000000 ] - [ -0.0002944300000000, -0.0008346900000000, -0.0023088000000000 ] - [ 0.2337968900000000, 0.0442047100000000, 0.1357587900000000 ] - [ -0.0046158100000000, 0.0007248400000000, 0.0006210200000000 ] - [ 0.0012794800000000, -0.0018669100000000, -0.0001602200000000 ] - [ -0.0020330200000000, -0.0007297600000000, 0.0003648000000000 ] - [ 0.0018811100000000, 0.0027016800000000, -0.0010742300000000 ] - [ -0.0035094400000000, -0.0015838200000000, -0.0042876200000000 ] - [ -0.0003785800000000, -0.0009575500000000, 0.0002059100000000 ] - [ -0.0004093300000000, -0.0008641800000000, -0.0008679100000000 ] - [ -0.0024754800000000, 0.0032410300000000, 0.0036472100000000 ] - [ -0.0080301400000000, 0.0221685200000000, -0.0165749400000000 ] - [ -0.0007072300000000, -0.0008135000000000, 0.0001607500000000 ] - [ 0.0002750900000000, -0.0018716800000000, -0.0012788200000000 ]- atom: 1 displacement: [ -0.0099999206929856, 0.0000000000000000, -0.0000398262978187 ] forces: - [ 0.3492660900000000, 0.1710504100000000, 0.2478374000000000 ] - [ -0.0020516400000000, 0.0001950900000000, 0.0000079900000000 ] - [ 0.0006600600000000, 0.0001408700000000, 0.0005541000000000 ] - [ -0.0008579800000000, -0.0000435600000000, 0.0003588100000000 ] - [ 0.0003042300000000, 0.0017131600000000, 0.0017283200000000 ] - [ -0.0053362500000000, -0.0017140600000000, -0.0048531200000000 ] - [ -0.0001890400000000, 0.0001999600000000, 0.0006081900000000 ] - [ -0.0000821800000000, 0.0001009700000000, 0.0001068300000000 ] - [ 0.0002978700000000, 0.0016910300000000, 0.0017782300000000 ] - [ -0.0053497900000000, 0.0010632500000000, -0.0053560900000000 ] - [ -0.0001896100000000, 0.0001655100000000, 0.0005241300000000 ] - [ -0.0000812200000000, 0.0001000800000000, 0.0000441900000000 ] - [ 0.0034388600000000, -0.0000032100000000, 0.0030410900000000 ] - [ -0.0020911100000000, -0.0004784400000000, -0.0006783800000000 ] - [ 0.0015691400000000, -0.0033054900000000, 0.0044844800000000 ] - [ -0.0010881100000000, 0.0005466900000000, 0.0000857100000000 ] - [ -0.0005132700000000, -0.0005366100000000, 0.0005903000000000 ] - [ -0.0005036600000000, 0.0006116600000000, -0.0014130100000000 ] - [ -0.0004092500000000, -0.0006156800000000, 0.0005634300000000 ] - [ 0.0004210500000000, -0.0003358900000000, -0.0005325900000000 ] - [ 0.0034208500000000, -0.0050402400000000, 0.0057262600000000 ] - [ -0.0020971900000000, 0.0009621900000000, -0.0002337200000000 ] - [ 0.0015655300000000, -0.0014217500000000, 0.0011686000000000 ] - [ -0.0010851000000000, -0.0007318300000000, -0.0001277200000000 ] - [ -0.0033351700000000, -0.0047542400000000, -0.0004118300000000 ] - [ 0.0005148800000000, 0.0019541700000000, 0.0021576800000000 ] - [ 0.0005069500000000, 0.0022648300000000, 0.0019837500000000 ] - [ -0.0033364000000000, -0.0022742500000000, -0.0003021100000000 ] - [ 0.0009443600000000, -0.0011287600000000, -0.0017807400000000 ] - [ -0.0009333500000000, 0.0001056400000000, 0.0000490300000000 ] - [ 0.0021390600000000, 0.0016961700000000, 0.0011553900000000 ] - [ -0.0008680100000000, 0.0003436700000000, 0.0002474300000000 ] - [ -0.0008679200000000, 0.0003777600000000, 0.0001521900000000 ] - [ 0.0021404400000000, 0.0016262800000000, 0.0014303200000000 ] - [ -0.0009361800000000, 0.0002461800000000, 0.0002179600000000 ] - [ 0.0009566300000000, -0.0000222800000000, -0.0000379000000000 ] - [ -0.0191726000000000, 0.0084400100000000, -0.0220634500000000 ] - [ -0.0018462300000000, 0.0002552800000000, 0.0005180100000000 ] - [ 0.0007637300000000, -0.0015018800000000, 0.0008500000000000 ] - [ -0.0003002800000000, -0.0006970000000000, 0.0007397200000000 ] - [ -0.0010485500000000, -0.0002742800000000, -0.0011908800000000 ] - [ -0.0010448800000000, 0.0003756000000000, -0.0010252600000000 ] - [ 0.0001509000000000, -0.0008956400000000, 0.0005505800000000 ] - [ 0.0001503800000000, -0.0008672500000000, 0.0006399100000000 ] - [ -0.0018464300000000, 0.0004749700000000, 0.0005635800000000 ] - [ -0.0193503200000000, -0.0053413700000000, -0.0298596700000000 ] - [ -0.0003020700000000, -0.0010229000000000, 0.0008700800000000 ] - [ 0.0007651800000000, -0.0010636900000000, 0.0007003900000000 ] - [ 0.0040620800000000, -0.0109187000000000, -0.0158980500000000 ] - [ -0.0017035900000000, 0.0016944700000000, 0.0008702300000000 ] - [ 0.0014568500000000, -0.0004868400000000, -0.0005054400000000 ] - [ -0.0007653800000000, 0.0006673400000000, 0.0001366100000000 ] - [ -0.0002115000000000, 0.0011090000000000, -0.0000191600000000 ] - [ 0.0009524000000000, -0.0003327500000000, -0.0022681600000000 ] - [ -0.0000629900000000, 0.0002477700000000, -0.0001490000000000 ] - [ 0.0004239500000000, -0.0001167300000000, -0.0009242800000000 ] - [ -0.0025516900000000, 0.0012257900000000, 0.0040726700000000 ] - [ -0.0042405800000000, 0.0062182200000000, 0.0007740700000000 ] - [ 0.0001800600000000, 0.0006050800000000, 0.0002032300000000 ] - [ 0.0003709800000000, -0.0010682500000000, -0.0012886000000000 ] - [ -0.0017490800000000, -0.0018642100000000, 0.0005865500000000 ] - [ 0.0009674300000000, -0.0002605300000000, -0.0003796600000000 ] - [ -0.0010760700000000, -0.0006159700000000, 0.0006146600000000 ] - [ -0.0062540800000000, -0.0239506400000000, 0.0018167200000000 ] - [ 0.0002646500000000, -0.0006666700000000, -0.0008406200000000 ] - [ -0.0004189900000000, -0.0009182500000000, 0.0001541900000000 ] - [ 0.0011077600000000, 0.0039075900000000, -0.0046106600000000 ] - [ -0.0014811900000000, -0.0012256600000000, 0.0012512900000000 ] - [ 0.0000479500000000, -0.0001410400000000, -0.0006591200000000 ] - [ -0.0000466500000000, -0.0017524800000000, 0.0009593900000000 ] - [ -0.0012471000000000, -0.0016006100000000, -0.0003659200000000 ] - [ 0.0009940800000000, 0.0004233000000000, -0.0012848900000000 ] - [ -0.0040682500000000, 0.0039658400000000, 0.0009410800000000 ] - [ -0.0037799800000000, 0.0001639400000000, 0.0033938300000000 ] - [ 0.0002666100000000, -0.0007257700000000, -0.0014141100000000 ] - [ 0.0001113800000000, 0.0006258800000000, 0.0000912900000000 ] - [ 0.0016353800000000, -0.0012511600000000, -0.0029700200000000 ] - [ -0.0007713500000000, 0.0013723900000000, 0.0004914400000000 ] - [ 0.0003525200000000, -0.0002400200000000, -0.0011865500000000 ] - [ -0.0002163500000000, 0.0003807200000000, -0.0000726900000000 ] - [ -0.0016595700000000, 0.0012061400000000, 0.0005914000000000 ] - [ 0.0066594400000000, 0.0030122200000000, 0.0029524200000000 ] - [ -0.0006678200000000, 0.0010116900000000, 0.0001656500000000 ] - [ 0.0014469000000000, -0.0010726800000000, -0.0006803000000000 ] - [ -0.0294929100000000, -0.0225128600000000, 0.0026795300000000 ] - [ -0.0023426700000000, -0.0002942900000000, 0.0010140800000000 ] - [ 0.0006368600000000, -0.0003571600000000, -0.0001189400000000 ] - [ -0.0010772500000000, -0.0020323200000000, 0.0004183200000000 ] - [ 0.0032521500000000, 0.0014672900000000, -0.0024538200000000 ] - [ -0.0014513000000000, -0.0011798200000000, -0.0002523000000000 ] - [ 0.0004554800000000, -0.0009838700000000, 0.0004492100000000 ] - [ -0.0002080000000000, -0.0006120700000000, -0.0003020200000000 ] - [ -0.0011002400000000, -0.0008011300000000, 0.0009256100000000 ] - [ 0.0032355500000000, 0.0057860800000000, -0.0061100100000000 ] - [ -0.0004235200000000, -0.0010407000000000, 0.0002059900000000 ] - [ 0.0002581600000000, -0.0006071200000000, -0.0006746600000000 ] - [ 0.0038721500000000, 0.0001850700000000, -0.0004955300000000 ] - [ -0.0732988500000000, -0.0829079200000000, -0.0636130500000000 ] - [ 0.0013913700000000, 0.0017559800000000, -0.0012350400000000 ] - [ -0.0019964500000000, 0.0007674000000000, 0.0002711000000000 ] - [ 0.0151998900000000, -0.0058307900000000, 0.0092535600000000 ] - [ 0.0043701300000000, -0.0012539700000000, -0.0041803100000000 ] - [ -0.0011328700000000, 0.0016290700000000, 0.0004004000000000 ] - [ 0.0002874700000000, 0.0008058000000000, -0.0007349300000000 ] - [ 0.0020825700000000, 0.0051887400000000, 0.0055500100000000 ] - [ 0.0001646600000000, -0.0021836000000000, -0.0004519000000000 ] - [ -0.0007300800000000, 0.0007009100000000, 0.0006087800000000 ] - [ 0.0001287900000000, 0.0011622400000000, -0.0007503500000000 ] - [ 0.0052953200000000, 0.0020356800000000, 0.0026387700000000 ] - [ -0.0020731900000000, -0.0010127700000000, -0.0020135000000000 ] - [ 0.0018820800000000, -0.0043124600000000, -0.0027030300000000 ] - [ 0.0105913200000000, 0.0072869900000000, -0.0096096700000000 ] - [ 0.0013862700000000, 0.0003233500000000, 0.0026163100000000 ] - [ 0.0009804000000000, -0.0000517400000000, -0.0004039500000000 ] - [ -0.0048250200000000, -0.0016308000000000, 0.0039663400000000 ] - [ 0.0017867000000000, -0.0002469200000000, -0.0011100000000000 ] - [ 0.0014092100000000, -0.0019515400000000, 0.0008248500000000 ] - [ -0.0036168800000000, 0.0034015300000000, -0.0035589800000000 ] - [ 0.0026108400000000, -0.0005024600000000, -0.0006886800000000 ] - [ -0.0019203900000000, 0.0012091800000000, 0.0016663200000000 ] - [ 0.0026931900000000, 0.0206108900000000, -0.0167148100000000 ] - [ 0.0054847500000000, -0.0039607000000000, -0.0030978000000000 ] - [ -0.0022496200000000, -0.0009772000000000, -0.0023022900000000 ] - [ 0.0018070700000000, 0.0043434900000000, 0.0017820400000000 ] - [ -0.0156848500000000, 0.0039578800000000, 0.0056001000000000 ] - [ 0.0031065100000000, 0.0003341200000000, -0.0001916900000000 ] - [ -0.0049890500000000, 0.0006913600000000, -0.0034171200000000 ] - [ 0.0018112300000000, 0.0001215900000000, 0.0002517000000000 ] - [ 0.0014216100000000, 0.0008820100000000, -0.0011313400000000 ] - [ -0.0025525900000000, -0.0048762000000000, 0.0039322500000000 ] - [ 0.0005246200000000, 0.0011002100000000, -0.0003159900000000 ] - [ 0.0000145200000000, 0.0011992500000000, 0.0016489100000000 ] - [ -0.2238973900000000, -0.0416489200000000, -0.1271272200000000 ] - [ 0.0043266200000000, -0.0011178500000000, -0.0012325400000000 ] - [ -0.0015318100000000, 0.0014406500000000, -0.0004452600000000 ] - [ 0.0017576600000000, 0.0003181400000000, -0.0009757100000000 ] - [ -0.0021197800000000, -0.0030783100000000, 0.0004472200000000 ] - [ 0.0032109600000000, 0.0011828700000000, 0.0036220000000000 ] - [ 0.0001174900000000, 0.0005452800000000, -0.0008182200000000 ] - [ 0.0001478300000000, 0.0004452200000000, 0.0002386300000000 ] - [ 0.0022090600000000, -0.0035953900000000, -0.0042081700000000 ] - [ 0.0077047200000000, -0.0224167200000000, 0.0158265600000000 ] - [ 0.0004501400000000, 0.0003926600000000, -0.0007768300000000 ] - [ -0.0005412700000000, 0.0014470900000000, 0.0006599900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1678901100000000, -0.2920454900000000, -0.2045420600000000 ] - [ 0.0003982100000000, -0.0000009500000000, 0.0005480500000000 ] - [ 0.0004584800000000, 0.0023627300000000, 0.0010831600000000 ] - [ 0.0006404300000000, 0.0013941900000000, 0.0007781000000000 ] - [ -0.0010964500000000, -0.0013488000000000, -0.0003710000000000 ] - [ -0.0004964000000000, -0.0006417100000000, 0.0001362500000000 ] - [ 0.0004331900000000, 0.0015565200000000, 0.0009415300000000 ] - [ 0.0004978900000000, 0.0016413000000000, 0.0011635600000000 ] - [ -0.0011116100000000, -0.0013491500000000, -0.0006585300000000 ] - [ 0.0022955900000000, -0.0006236500000000, 0.0029340700000000 ] - [ 0.0003975000000000, 0.0015568000000000, 0.0009233200000000 ] - [ 0.0004958900000000, 0.0016404700000000, 0.0011945300000000 ] - [ -0.0044489900000000, 0.0039811900000000, 0.0010208900000000 ] - [ 0.0015532100000000, -0.0009288100000000, 0.0016521700000000 ] - [ -0.0008235300000000, 0.0023570000000000, -0.0039119100000000 ] - [ -0.0001377800000000, -0.0005092900000000, 0.0003072200000000 ] - [ 0.0000599900000000, -0.0005783900000000, 0.0005274000000000 ] - [ 0.0012040900000000, -0.0015778100000000, 0.0020958600000000 ] - [ -0.0000194400000000, -0.0003192800000000, 0.0005019400000000 ] - [ 0.0002589200000000, -0.0002851900000000, 0.0011208000000000 ] - [ 0.0006188500000000, 0.0039767300000000, -0.0039123600000000 ] - [ 0.0001175200000000, -0.0009262400000000, 0.0003169400000000 ] - [ -0.0026950300000000, 0.0023580500000000, -0.0003898000000000 ] - [ 0.0011378900000000, -0.0005140200000000, 0.0016316300000000 ] - [ 0.0028675000000000, 0.0035809600000000, 0.0017670300000000 ] - [ -0.0016656300000000, 0.0001907300000000, -0.0012006900000000 ] - [ -0.0013464500000000, 0.0001997200000000, -0.0004585800000000 ] - [ 0.0053442800000000, 0.0035783200000000, 0.0015734800000000 ] - [ 0.0006261800000000, 0.0038058400000000, 0.0048358200000000 ] - [ 0.0003468900000000, 0.0006161200000000, 0.0008165900000000 ] - [ -0.0010140200000000, 0.0001595300000000, -0.0004520300000000 ] - [ 0.0002170300000000, 0.0007229000000000, 0.0006801200000000 ] - [ 0.0002523700000000, 0.0007222400000000, 0.0006644200000000 ] - [ -0.0010960100000000, 0.0001498800000000, -0.0007802900000000 ] - [ 0.0004912100000000, 0.0006188700000000, 0.0008251900000000 ] - [ 0.0017153500000000, 0.0037927200000000, 0.0039725100000000 ] - [ -0.0047409500000000, -0.0060392500000000, -0.0042113500000000 ] - [ 0.0010709700000000, -0.0017736300000000, 0.0007855000000000 ] - [ -0.0004641900000000, 0.0010375800000000, -0.0000345300000000 ] - [ -0.0004275600000000, 0.0003120000000000, 0.0001161500000000 ] - [ 0.0009737900000000, -0.0017875100000000, 0.0021469000000000 ] - [ 0.0003114800000000, -0.0017809000000000, 0.0014890100000000 ] - [ -0.0002709000000000, 0.0003516100000000, 0.0003504800000000 ] - [ -0.0002988500000000, 0.0003517300000000, 0.0001638700000000 ] - [ 0.0008531400000000, -0.0017755700000000, 0.0006133400000000 ] - [ 0.0089695000000000, -0.0060687000000000, 0.0121837300000000 ] - [ -0.0000992400000000, 0.0003111000000000, 0.0001752200000000 ] - [ -0.0009041000000000, 0.0010377500000000, -0.0003382300000000 ] - [ 0.0076684100000000, 0.0170006600000000, 0.0273065100000000 ] - [ 0.0006532800000000, -0.0004224500000000, -0.0004957800000000 ] - [ -0.0010804400000000, 0.0022267000000000, 0.0001758500000000 ] - [ 0.0002789400000000, 0.0009464700000000, -0.0002907300000000 ] - [ -0.0004569100000000, 0.0000911100000000, 0.0002865300000000 ] - [ 0.0004062300000000, -0.0006727100000000, -0.0003890200000000 ] - [ 0.0001108400000000, 0.0010145000000000, -0.0002113300000000 ] - [ -0.0005941900000000, 0.0020937300000000, 0.0010616100000000 ] - [ 0.0024288900000000, -0.0010160700000000, -0.0034639200000000 ] - [ 0.0008775500000000, -0.0034256700000000, -0.0020043500000000 ] - [ -0.0009686600000000, 0.0015666500000000, 0.0001805500000000 ] - [ -0.0000986300000000, 0.0023972400000000, 0.0008729500000000 ] - [ 0.0013115000000000, 0.0007335800000000, -0.0007682900000000 ] - [ -0.0000092700000000, 0.0019609800000000, -0.0014563600000000 ] - [ -0.0000403500000000, -0.0010445000000000, -0.0001516500000000 ] - [ 0.0219985800000000, 0.0288720100000000, -0.0034211700000000 ] - [ 0.0009582500000000, 0.0008370000000000, -0.0003195800000000 ] - [ -0.0000828400000000, 0.0000505600000000, -0.0001750200000000 ] - [ -0.0005018700000000, -0.0015915000000000, 0.0008321100000000 ] - [ 0.0007227300000000, -0.0006659500000000, -0.0008838700000000 ] - [ 0.0000809100000000, -0.0000646400000000, -0.0001524200000000 ] - [ 0.0008304900000000, 0.0016395100000000, -0.0020602600000000 ] - [ 0.0007162600000000, -0.0005648200000000, 0.0000891000000000 ] - [ -0.0026720100000000, -0.0014789200000000, 0.0027898800000000 ] - [ 0.0008477200000000, -0.0005287700000000, -0.0004900500000000 ] - [ 0.0038970900000000, -0.0021139000000000, -0.0042842600000000 ] - [ 0.0000459800000000, 0.0015200800000000, 0.0005372400000000 ] - [ -0.0014526800000000, 0.0028250600000000, 0.0005320200000000 ] - [ 0.0002638000000000, 0.0002128600000000, 0.0001341400000000 ] - [ -0.0000241900000000, -0.0001394500000000, -0.0001540400000000 ] - [ -0.0001530800000000, 0.0018658800000000, 0.0011140400000000 ] - [ 0.0000844600000000, 0.0008978000000000, -0.0002039300000000 ] - [ 0.0010026700000000, -0.0003358100000000, -0.0006755100000000 ] - [ -0.0052489400000000, 0.0189934800000000, 0.0207445900000000 ] - [ 0.0000820700000000, 0.0007931900000000, -0.0001899000000000 ] - [ -0.0009329000000000, 0.0024543500000000, 0.0000984900000000 ] - [ 0.0226971200000000, 0.0060083900000000, -0.0014006700000000 ] - [ -0.0000859200000000, -0.0014720700000000, -0.0001965000000000 ] - [ 0.0002151200000000, 0.0007964100000000, -0.0011244900000000 ] - [ 0.0012276100000000, 0.0014855500000000, -0.0009443600000000 ] - [ -0.0036104100000000, -0.0033613800000000, 0.0040181100000000 ] - [ -0.0000333700000000, -0.0012477600000000, 0.0003553100000000 ] - [ 0.0002895200000000, 0.0010877400000000, -0.0014535400000000 ] - [ 0.0003071300000000, 0.0001379400000000, -0.0003840200000000 ] - [ 0.0001691000000000, -0.0009392000000000, -0.0005334800000000 ] - [ -0.0015605900000000, -0.0043020700000000, 0.0022748700000000 ] - [ 0.0003433000000000, 0.0001533100000000, -0.0004666700000000 ] - [ 0.0007752400000000, 0.0011771300000000, -0.0005764500000000 ] - [ -0.0017909800000000, 0.0016560600000000, -0.0003494800000000 ] - [ 0.0726018900000000, 0.2009201300000000, 0.1222762100000000 ] - [ -0.0004116800000000, -0.0016546100000000, 0.0001357000000000 ] - [ 0.0008960800000000, -0.0039589400000000, 0.0002229000000000 ] - [ -0.0010778500000000, 0.0009062100000000, -0.0027213000000000 ] - [ -0.0027955100000000, 0.0035670400000000, 0.0024295400000000 ] - [ 0.0001903200000000, -0.0024645800000000, -0.0003365200000000 ] - [ 0.0013151300000000, -0.0018270700000000, -0.0011837400000000 ] - [ -0.0025304800000000, -0.0004335200000000, -0.0028411500000000 ] - [ 0.0012032500000000, 0.0044769300000000, -0.0019211400000000 ] - [ 0.0007723000000000, -0.0015912200000000, -0.0013537400000000 ] - [ -0.0002459900000000, -0.0019444900000000, 0.0002754900000000 ] - [ -0.0040852200000000, -0.0018411100000000, -0.0024085200000000 ] - [ 0.0038545600000000, -0.0060739800000000, 0.0028034900000000 ] - [ 0.0008401600000000, 0.0011155300000000, 0.0007389400000000 ] - [ -0.0173831200000000, -0.0052785700000000, 0.0148128600000000 ] - [ -0.0039297700000000, -0.0020748300000000, -0.0040876900000000 ] - [ -0.0001176100000000, -0.0004499300000000, -0.0003710900000000 ] - [ 0.0010507700000000, 0.0009020700000000, -0.0007804200000000 ] - [ -0.0004628900000000, -0.0003760500000000, -0.0003220200000000 ] - [ -0.0004267200000000, -0.0004342100000000, -0.0004815900000000 ] - [ 0.0019851600000000, -0.0052832000000000, 0.0039578900000000 ] - [ -0.0015470800000000, 0.0008691900000000, -0.0006994000000000 ] - [ 0.0042638500000000, -0.0125103200000000, -0.0076954700000000 ] - [ -0.0061398600000000, -0.0106501800000000, 0.0075720500000000 ] - [ 0.0002058800000000, 0.0026186800000000, 0.0016958200000000 ] - [ 0.0035872900000000, -0.0015137100000000, 0.0018444200000000 ] - [ -0.0022570300000000, -0.0046704700000000, -0.0032202400000000 ] - [ 0.0138268600000000, -0.0060725500000000, -0.0135970500000000 ] - [ -0.0015603000000000, 0.0011715000000000, -0.0011648800000000 ] - [ 0.0040236600000000, -0.0022383900000000, 0.0029431000000000 ] - [ -0.0003863300000000, -0.0003854500000000, -0.0002917700000000 ] - [ -0.0001759000000000, 0.0002135800000000, -0.0003184400000000 ] - [ -0.0002430700000000, 0.0038462000000000, -0.0008317700000000 ] - [ -0.0001265500000000, -0.0006095700000000, -0.0003105500000000 ] - [ -0.0007471500000000, -0.0030881200000000, -0.0025513000000000 ] - [ 0.0477033600000000, 0.0462405800000000, 0.0329743700000000 ] - [ -0.0006037000000000, 0.0016506700000000, -0.0007078600000000 ] - [ -0.0002412000000000, -0.0037664700000000, -0.0002090800000000 ] - [ -0.0014563500000000, -0.0020081600000000, 0.0005028100000000 ] - [ 0.0034304700000000, 0.0034536200000000, -0.0029358600000000 ] - [ -0.0005928700000000, 0.0015782700000000, -0.0013858800000000 ] - [ -0.0011123300000000, -0.0021514600000000, 0.0004274700000000 ] - [ -0.0004485400000000, -0.0021810100000000, -0.0009872700000000 ] - [ -0.0003917900000000, 0.0037037800000000, 0.0025590600000000 ] - [ -0.0027789700000000, 0.0142073100000000, -0.0059428000000000 ] - [ -0.0002837900000000, -0.0021173600000000, -0.0005889100000000 ] - [ -0.0006440100000000, -0.0033902600000000, -0.0004328800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1734192500000000, 0.3026319100000000, 0.2144370800000000 ] - [ -0.0003254900000000, 0.0011192900000000, 0.0005471500000000 ] - [ -0.0003781000000000, -0.0012623200000000, 0.0000090600000000 ] - [ -0.0005672400000000, -0.0002865700000000, 0.0003148900000000 ] - [ 0.0011859400000000, 0.0024820200000000, 0.0014752400000000 ] - [ 0.0005140900000000, 0.0017339500000000, 0.0008985900000000 ] - [ -0.0003558300000000, -0.0004496400000000, 0.0001515200000000 ] - [ -0.0004214800000000, -0.0005334600000000, -0.0000746900000000 ] - [ 0.0012009000000000, 0.0024816500000000, 0.0017614500000000 ] - [ -0.0022524800000000, 0.0017516600000000, -0.0018789800000000 ] - [ -0.0003192600000000, -0.0004494900000000, 0.0001680800000000 ] - [ -0.0004219300000000, -0.0005342600000000, -0.0001077600000000 ] - [ 0.0045525700000000, -0.0051093400000000, 0.0000923400000000 ] - [ -0.0014875000000000, -0.0001883100000000, -0.0005645300000000 ] - [ 0.0009184200000000, -0.0035155800000000, 0.0050798300000000 ] - [ 0.0002095100000000, -0.0005947500000000, 0.0007861400000000 ] - [ 0.0000187000000000, -0.0005369700000000, 0.0005666700000000 ] - [ -0.0011315800000000, 0.0004674500000000, -0.0010158700000000 ] - [ 0.0000978300000000, -0.0007966700000000, 0.0005911600000000 ] - [ -0.0001863100000000, -0.0008230200000000, -0.0000468600000000 ] - [ -0.0005191000000000, -0.0051136300000000, 0.0050290500000000 ] - [ -0.0000424000000000, -0.0001858100000000, 0.0007785500000000 ] - [ 0.0028136300000000, -0.0035142000000000, 0.0014994700000000 ] - [ -0.0010733900000000, -0.0005989800000000, -0.0005528400000000 ] - [ -0.0028141800000000, -0.0024994900000000, -0.0006784100000000 ] - [ 0.0017562700000000, 0.0009270300000000, 0.0023097300000000 ] - [ 0.0014460300000000, 0.0009357400000000, 0.0015794400000000 ] - [ -0.0053512300000000, -0.0025019100000000, -0.0004930900000000 ] - [ -0.0005515500000000, -0.0027071600000000, -0.0037672300000000 ] - [ -0.0002739800000000, 0.0004940100000000, 0.0002732600000000 ] - [ 0.0011200000000000, 0.0009764400000000, 0.0015599000000000 ] - [ -0.0001431500000000, 0.0003909900000000, 0.0004103100000000 ] - [ -0.0001758800000000, 0.0003905800000000, 0.0004280200000000 ] - [ 0.0011847500000000, 0.0009669800000000, 0.0018802100000000 ] - [ -0.0004163100000000, 0.0004965700000000, 0.0002662100000000 ] - [ -0.0016624500000000, -0.0027201400000000, -0.0029262400000000 ] - [ 0.0046159400000000, 0.0050426000000000, 0.0051190500000000 ] - [ -0.0010049300000000, 0.0006703800000000, 0.0003066600000000 ] - [ 0.0005510600000000, -0.0021667200000000, 0.0011355300000000 ] - [ 0.0005083700000000, -0.0014344600000000, 0.0009826200000000 ] - [ -0.0009010400000000, 0.0006802600000000, -0.0010682500000000 ] - [ -0.0002521900000000, 0.0006868500000000, -0.0004238500000000 ] - [ 0.0003527800000000, -0.0014739900000000, 0.0007450500000000 ] - [ 0.0003803200000000, -0.0014738800000000, 0.0009315600000000 ] - [ -0.0007811100000000, 0.0006683700000000, 0.0004840800000000 ] - [ -0.0091028400000000, 0.0050147000000000, -0.0113540800000000 ] - [ 0.0001800300000000, -0.0014352500000000, 0.0009236500000000 ] - [ 0.0009915000000000, -0.0021665500000000, 0.0014386900000000 ] - [ -0.0073417700000000, -0.0159273100000000, -0.0275974100000000 ] - [ -0.0004825200000000, 0.0013379700000000, 0.0000228000000000 ] - [ 0.0012733300000000, -0.0013327700000000, -0.0006536000000000 ] - [ -0.0001082900000000, -0.0000407200000000, -0.0001838100000000 ] - [ 0.0006409000000000, 0.0008183100000000, -0.0007689400000000 ] - [ -0.0002276900000000, 0.0015757500000000, -0.0001031500000000 ] - [ 0.0000681600000000, -0.0001110600000000, -0.0002661500000000 ] - [ 0.0007785800000000, -0.0012026500000000, -0.0015553300000000 ] - [ -0.0022684500000000, 0.0019326200000000, 0.0030097300000000 ] - [ -0.0007171500000000, 0.0043794200000000, 0.0015417500000000 ] - [ 0.0011576600000000, -0.0006673900000000, -0.0006577600000000 ] - [ 0.0002792600000000, -0.0015108900000000, -0.0013645900000000 ] - [ -0.0011458400000000, -0.0016531600000000, 0.0002973100000000 ] - [ 0.0001890300000000, -0.0028856900000000, 0.0009877800000000 ] - [ 0.0002130300000000, 0.0001412400000000, -0.0003177300000000 ] - [ -0.0223336300000000, -0.0306440200000000, 0.0030251300000000 ] - [ -0.0007847200000000, -0.0017536100000000, -0.0001582300000000 ] - [ 0.0002602800000000, -0.0009637000000000, -0.0003014700000000 ] - [ 0.0006902600000000, 0.0007382400000000, -0.0013595300000000 ] - [ -0.0005527600000000, -0.0002403800000000, 0.0004132700000000 ] - [ 0.0000950900000000, -0.0008441300000000, -0.0003265400000000 ] - [ -0.0006561300000000, -0.0025601900000000, 0.0015922900000000 ] - [ -0.0005419300000000, -0.0003398200000000, -0.0005736600000000 ] - [ 0.0028965200000000, 0.0005840800000000, -0.0033203200000000 ] - [ -0.0007214200000000, 0.0014841300000000, 0.0000314600000000 ] - [ -0.0037598400000000, 0.0030588200000000, 0.0038574900000000 ] - [ 0.0001355300000000, -0.0006241300000000, -0.0010234300000000 ] - [ 0.0016403900000000, -0.0019319400000000, -0.0010139000000000 ] - [ -0.0000757700000000, 0.0006920600000000, -0.0006294400000000 ] - [ 0.0002024500000000, 0.0010551600000000, -0.0003268300000000 ] - [ 0.0003344100000000, -0.0009730800000000, -0.0016040400000000 ] - [ 0.0000939900000000, 0.0000036000000000, -0.0002758300000000 ] - [ -0.0008359800000000, 0.0012516500000000, 0.0002042000000000 ] - [ 0.0055941600000000, -0.0184123400000000, -0.0217093300000000 ] - [ 0.0000959800000000, 0.0001117700000000, -0.0002876000000000 ] - [ 0.0011216600000000, -0.0015635300000000, -0.0005807100000000 ] - [ -0.0224706500000000, -0.0070697800000000, 0.0009482900000000 ] - [ 0.0002607600000000, 0.0005721300000000, -0.0002789700000000 ] - [ -0.0000326500000000, -0.0017113900000000, 0.0006560600000000 ] - [ -0.0010632300000000, -0.0024161600000000, 0.0004749700000000 ] - [ 0.0038199200000000, 0.0024687100000000, -0.0045277500000000 ] - [ 0.0001974100000000, 0.0003358100000000, -0.0008354400000000 ] - [ -0.0001072500000000, -0.0020066900000000, 0.0009884500000000 ] - [ -0.0001300700000000, -0.0010467900000000, -0.0000959500000000 ] - [ 0.0000087500000000, 0.0000341200000000, 0.0000592800000000 ] - [ 0.0017614300000000, 0.0034373900000000, -0.0027884600000000 ] - [ -0.0001677600000000, -0.0010641100000000, -0.0000093300000000 ] - [ -0.0006047800000000, -0.0020979400000000, 0.0000972300000000 ] - [ 0.0015546500000000, -0.0012598400000000, -0.0002756000000000 ] - [ -0.0775816000000000, -0.2082115400000000, -0.1308890300000000 ] - [ 0.0001579300000000, 0.0020763600000000, -0.0007579900000000 ] - [ -0.0011657700000000, 0.0043921200000000, -0.0008412200000000 ] - [ 0.0009846500000000, -0.0005739600000000, 0.0022072400000000 ] - [ 0.0025660200000000, -0.0031952600000000, -0.0030727300000000 ] - [ -0.0004567800000000, 0.0028898300000000, -0.0002801700000000 ] - [ -0.0015811700000000, 0.0022475000000000, 0.0005705100000000 ] - [ 0.0022862900000000, 0.0008535100000000, 0.0022630000000000 ] - [ -0.0014683000000000, -0.0041299000000000, 0.0013375700000000 ] - [ -0.0010386300000000, 0.0020116000000000, 0.0007471200000000 ] - [ -0.0000123100000000, 0.0023644800000000, -0.0008944000000000 ] - [ 0.0038640100000000, 0.0014578500000000, 0.0018101600000000 ] - [ -0.0041367400000000, 0.0057113500000000, -0.0034434600000000 ] - [ -0.0010928900000000, -0.0015713800000000, -0.0013935900000000 ] - [ 0.0173583000000000, 0.0049238600000000, -0.0156587100000000 ] - [ 0.0036981300000000, 0.0016891400000000, 0.0034984600000000 ] - [ -0.0001348300000000, 0.0000519100000000, -0.0002430400000000 ] - [ -0.0013550600000000, -0.0013436100000000, 0.0002068500000000 ] - [ 0.0002125200000000, -0.0000268600000000, -0.0002921600000000 ] - [ 0.0001730000000000, 0.0000312200000000, -0.0001318700000000 ] - [ -0.0022569600000000, 0.0049169400000000, -0.0045975200000000 ] - [ 0.0013053100000000, -0.0012894600000000, 0.0000890400000000 ] - [ -0.0045636500000000, 0.0122576000000000, 0.0071575600000000 ] - [ 0.0059199600000000, 0.0111611800000000, -0.0082824400000000 ] - [ -0.0004595600000000, -0.0022314700000000, -0.0023322700000000 ] - [ -0.0039010000000000, 0.0019193400000000, -0.0025007400000000 ] - [ 0.0020283200000000, 0.0051321500000000, 0.0026423200000000 ] - [ -0.0141827300000000, 0.0065279300000000, 0.0130771500000000 ] - [ 0.0013217300000000, -0.0007633100000000, 0.0005489800000000 ] - [ -0.0043457000000000, 0.0026496900000000, -0.0036117500000000 ] - [ 0.0001442200000000, 0.0007875500000000, -0.0003187800000000 ] - [ -0.0000806400000000, 0.0001915900000000, -0.0002986200000000 ] - [ -0.0000251100000000, -0.0034686100000000, 0.0002361900000000 ] - [ -0.0001304100000000, 0.0010191700000000, -0.0003066400000000 ] - [ 0.0005055800000000, 0.0035224100000000, 0.0019731300000000 ] - [ -0.0482585200000000, -0.0475424000000000, -0.0336923700000000 ] - [ 0.0003582900000000, -0.0020710600000000, 0.0000936500000000 ] - [ -0.0000237200000000, 0.0033923700000000, -0.0004121900000000 ] - [ 0.0012176400000000, 0.0016189600000000, -0.0011311100000000 ] - [ -0.0037240600000000, -0.0038854900000000, 0.0023424200000000 ] - [ 0.0003806000000000, -0.0019833200000000, 0.0008134600000000 ] - [ 0.0008608100000000, 0.0017642100000000, -0.0010518100000000 ] - [ 0.0001916600000000, 0.0017922200000000, 0.0003801400000000 ] - [ 0.0001353600000000, -0.0041358600000000, -0.0032043800000000 ] - [ 0.0025518400000000, -0.0147727100000000, 0.0054018300000000 ] - [ 0.0000254000000000, 0.0017299400000000, -0.0000266900000000 ] - [ 0.0003903500000000, 0.0030175900000000, -0.0001753700000000 ]- atom: 1 displacement: [ -0.0065710994853938, 0.0000000000000000, 0.0075379474363422 ] forces: - [ 0.0447400900000000, -0.0451249400000000, -0.0731557700000000 ] - [ -0.0009288600000000, 0.0003202400000000, -0.0001027600000000 ] - [ 0.0004436900000000, 0.0006872700000000, 0.0002749300000000 ] - [ -0.0004082700000000, 0.0003357900000000, 0.0003087600000000 ] - [ -0.0007214200000000, 0.0004057000000000, 0.0013170600000000 ] - [ 0.0009376900000000, 0.0008738000000000, 0.0017233800000000 ] - [ -0.0000929300000000, 0.0006070500000000, 0.0007647900000000 ] - [ 0.0003392800000000, 0.0007469000000000, 0.0007150200000000 ] - [ -0.0006796000000000, 0.0006117700000000, 0.0013487300000000 ] - [ 0.0005812700000000, 0.0006017200000000, 0.0014132000000000 ] - [ -0.0001574400000000, 0.0005960000000000, 0.0007081900000000 ] - [ 0.0002924700000000, 0.0007228500000000, 0.0006744500000000 ] - [ -0.0016467400000000, 0.0031972500000000, 0.0007706200000000 ] - [ -0.0007751100000000, -0.0003321300000000, -0.0001551800000000 ] - [ 0.0005775000000000, -0.0016555400000000, 0.0015401000000000 ] - [ -0.0001909500000000, -0.0006535900000000, 0.0002947400000000 ] - [ -0.0003578400000000, -0.0005290700000000, 0.0007776200000000 ] - [ 0.0011604200000000, -0.0009647200000000, 0.0015994100000000 ] - [ -0.0002676400000000, -0.0005630800000000, 0.0008196900000000 ] - [ 0.0011032600000000, -0.0008499600000000, 0.0015487400000000 ] - [ 0.0003929200000000, -0.0038546300000000, 0.0025366200000000 ] - [ -0.0004357200000000, -0.0003955800000000, 0.0001392500000000 ] - [ -0.0019173000000000, 0.0022463100000000, -0.0006361700000000 ] - [ -0.0003527300000000, -0.0004907600000000, 0.0001527100000000 ] - [ -0.0015416800000000, -0.0021689800000000, -0.0005874300000000 ] - [ -0.0007364900000000, 0.0007061000000000, -0.0003462700000000 ] - [ -0.0008585400000000, 0.0003607400000000, -0.0004506300000000 ] - [ -0.0014585100000000, -0.0003847800000000, -0.0005177300000000 ] - [ 0.0010888200000000, 0.0020478100000000, 0.0024874800000000 ] - [ -0.0003543000000000, 0.0004698000000000, 0.0004667300000000 ] - [ 0.0007565200000000, 0.0003064100000000, 0.0012219100000000 ] - [ -0.0002611200000000, 0.0005055900000000, 0.0007348700000000 ] - [ -0.0003308000000000, 0.0005413700000000, 0.0006742500000000 ] - [ 0.0009587600000000, 0.0004992400000000, 0.0013996700000000 ] - [ -0.0002230000000000, 0.0005590900000000, 0.0005803100000000 ] - [ 0.0023849300000000, 0.0034046000000000, 0.0036172000000000 ] - [ 0.0101756700000000, -0.0034915900000000, 0.0006812500000000 ] - [ -0.0012178200000000, -0.0000689700000000, 0.0001022200000000 ] - [ 0.0004022300000000, -0.0005111500000000, 0.0003489600000000 ] - [ -0.0004297500000000, -0.0003673400000000, 0.0004296000000000 ] - [ 0.0005167900000000, -0.0010941700000000, 0.0016571100000000 ] - [ 0.0006293500000000, -0.0011508900000000, 0.0017531600000000 ] - [ 0.0000427800000000, -0.0004916600000000, 0.0007603600000000 ] - [ 0.0001093200000000, -0.0006143500000000, 0.0008184400000000 ] - [ -0.0011767700000000, -0.0000574800000000, 0.0001367300000000 ] - [ 0.0045417600000000, -0.0001205700000000, -0.0042050000000000 ] - [ -0.0003294300000000, -0.0005394100000000, 0.0005168800000000 ] - [ 0.0002879300000000, -0.0004503400000000, 0.0002492000000000 ] - [ 0.0080824600000000, 0.0088670600000000, 0.0052355800000000 ] - [ -0.0006288400000000, 0.0009272600000000, 0.0000568800000000 ] - [ 0.0007479200000000, -0.0000663600000000, -0.0006629000000000 ] - [ -0.0002133500000000, 0.0005795000000000, -0.0000876000000000 ] - [ -0.0008040200000000, 0.0010557900000000, 0.0008932000000000 ] - [ 0.0004384400000000, 0.0004075200000000, 0.0001230100000000 ] - [ -0.0001720300000000, 0.0006324900000000, 0.0000566100000000 ] - [ -0.0000119100000000, 0.0011059800000000, 0.0004416200000000 ] - [ -0.0010977100000000, 0.0007323600000000, 0.0011885700000000 ] - [ 0.0003569900000000, -0.0001700000000000, -0.0011843900000000 ] - [ -0.0006263800000000, 0.0008855400000000, -0.0001041400000000 ] - [ 0.0003782200000000, 0.0000674200000000, -0.0007458100000000 ] - [ -0.0006346200000000, -0.0008925300000000, -0.0000773700000000 ] - [ 0.0007574800000000, 0.0006976400000000, -0.0014289600000000 ] - [ -0.0001966000000000, -0.0005153900000000, -0.0005437700000000 ] - [ -0.0028170300000000, -0.0126943800000000, -0.0052038400000000 ] - [ 0.0008426000000000, 0.0000933000000000, -0.0004874900000000 ] - [ -0.0004219600000000, -0.0006166500000000, 0.0001533900000000 ] - [ 0.0002128100000000, -0.0005209000000000, 0.0002186000000000 ] - [ -0.0011190000000000, -0.0012784800000000, 0.0009125700000000 ] - [ -0.0000124600000000, -0.0004006600000000, -0.0001450000000000 ] - [ -0.0001410100000000, -0.0012793300000000, 0.0006019900000000 ] - [ 0.0001426600000000, -0.0005498500000000, 0.0000049100000000 ] - [ -0.0014375000000000, -0.0005943600000000, 0.0018173400000000 ] - [ 0.0018453100000000, -0.0009441700000000, -0.0009277600000000 ] - [ -0.0024623400000000, -0.0012229700000000, 0.0008734600000000 ] - [ 0.0002336800000000, 0.0000295600000000, -0.0008808100000000 ] - [ -0.0007374600000000, 0.0017230900000000, 0.0000453000000000 ] - [ 0.0004788000000000, 0.0002291800000000, -0.0000166300000000 ] - [ -0.0007477500000000, 0.0009896400000000, 0.0008906900000000 ] - [ 0.0003003800000000, 0.0007514200000000, 0.0001449900000000 ] - [ -0.0002908900000000, 0.0006776600000000, 0.0001625700000000 ] - [ -0.0003843700000000, 0.0007440000000000, -0.0001423600000000 ] - [ -0.0023974300000000, 0.0262211000000000, 0.0184901000000000 ] - [ -0.0002612800000000, 0.0006674300000000, -0.0000432600000000 ] - [ 0.0010431000000000, -0.0005110200000000, -0.0008494400000000 ] - [ -0.0160381700000000, -0.0131161500000000, -0.0046254700000000 ] - [ -0.0006137300000000, -0.0004699300000000, -0.0004047800000000 ] - [ 0.0003973600000000, 0.0001419900000000, -0.0010899900000000 ] - [ -0.0002331600000000, -0.0007925100000000, -0.0002140900000000 ] - [ -0.0010277400000000, -0.0003904300000000, 0.0019657800000000 ] - [ -0.0000915400000000, -0.0005938300000000, 0.0000232000000000 ] - [ 0.0001273800000000, -0.0007472300000000, 0.0000434900000000 ] - [ -0.0001068400000000, -0.0005760100000000, 0.0000186000000000 ] - [ -0.0009178100000000, -0.0010057700000000, 0.0006124900000000 ] - [ 0.0008754100000000, -0.0006923100000000, 0.0001061500000000 ] - [ -0.0002502300000000, -0.0006735000000000, 0.0000840000000000 ] - [ 0.0008566700000000, 0.0003894200000000, -0.0005801700000000 ] - [ 0.0014993300000000, 0.0001183200000000, 0.0006097800000000 ] - [ -0.0019946200000000, 0.0433056100000000, 0.0607469000000000 ] - [ 0.0007510800000000, 0.0007052700000000, -0.0004203700000000 ] - [ -0.0012973700000000, -0.0004389200000000, 0.0009923700000000 ] - [ 0.0002939300000000, 0.0002686000000000, -0.0025288900000000 ] - [ 0.0035075700000000, 0.0003218400000000, -0.0022022700000000 ] - [ -0.0010049100000000, -0.0002332000000000, 0.0002990200000000 ] - [ 0.0009327400000000, -0.0000604200000000, -0.0008992400000000 ] - [ -0.0012433600000000, 0.0002422100000000, -0.0015131800000000 ] - [ 0.0007401500000000, 0.0010805500000000, -0.0032536200000000 ] - [ -0.0001753100000000, -0.0001177600000000, -0.0008019100000000 ] - [ 0.0001965200000000, 0.0005087500000000, -0.0009674400000000 ] - [ 0.0021541200000000, 0.0004807000000000, 0.0014911700000000 ] - [ 0.0011505800000000, -0.0039315000000000, 0.0023593100000000 ] - [ 0.0006366200000000, 0.0007556500000000, 0.0011464300000000 ] - [ 0.0040810600000000, 0.0041249700000000, -0.0015021800000000 ] - [ -0.0025106000000000, -0.0007059800000000, -0.0019262200000000 ] - [ 0.0006501000000000, -0.0003136800000000, -0.0008106000000000 ] - [ -0.0013490000000000, 0.0006851600000000, -0.0015645000000000 ] - [ 0.0011877800000000, -0.0003899400000000, -0.0016090600000000 ] - [ 0.0004146200000000, -0.0006120200000000, -0.0002983500000000 ] - [ -0.0017681600000000, 0.0025432300000000, -0.0020203100000000 ] - [ 0.0003036600000000, -0.0006401200000000, -0.0002912500000000 ] - [ 0.0022873900000000, -0.0098972400000000, -0.0060101600000000 ] - [ 0.0018829600000000, 0.0097397200000000, -0.0058017200000000 ] - [ 0.0007559900000000, 0.0003236000000000, 0.0010992900000000 ] - [ 0.0022229300000000, -0.0006389300000000, 0.0017530900000000 ] - [ 0.0003847600000000, 0.0013565500000000, 0.0008415900000000 ] - [ 0.0021132100000000, -0.0047409700000000, -0.0057499000000000 ] - [ 0.0010344900000000, 0.0000038900000000, -0.0002567400000000 ] - [ -0.0017428200000000, 0.0010873000000000, -0.0009799800000000 ] - [ 0.0002631100000000, 0.0003242900000000, -0.0005670300000000 ] - [ 0.0011720900000000, 0.0005122400000000, -0.0015382600000000 ] - [ -0.0014390300000000, 0.0004601800000000, -0.0017373000000000 ] - [ 0.0004154700000000, 0.0003569800000000, -0.0007295200000000 ] - [ -0.0016285300000000, -0.0017117200000000, -0.0017430800000000 ] - [ -0.0518370600000000, -0.0048840400000000, 0.0129049500000000 ] - [ 0.0016989100000000, -0.0008154500000000, 0.0001325800000000 ] - [ -0.0011397300000000, -0.0000516700000000, 0.0005707300000000 ] - [ 0.0006511000000000, -0.0003143100000000, -0.0001748200000000 ] - [ 0.0015173400000000, 0.0004061500000000, -0.0036012800000000 ] - [ -0.0012691700000000, 0.0003193500000000, -0.0015077300000000 ] - [ 0.0000520600000000, -0.0002896700000000, -0.0007990100000000 ] - [ -0.0001480200000000, -0.0004429900000000, -0.0008777700000000 ] - [ 0.0023283500000000, -0.0011854600000000, -0.0014968900000000 ] - [ -0.0020680700000000, 0.0014916700000000, -0.0009102500000000 ] - [ 0.0005283900000000, -0.0005681300000000, -0.0007210000000000 ] - [ -0.0010278300000000, -0.0002679900000000, 0.0002381400000000 ]- atom: 1 displacement: [ 0.0065710994853938, 0.0000000000000000, -0.0075379474363422 ] forces: - [ -0.0432026400000000, 0.0463707700000000, 0.0743130600000000 ] - [ 0.0010111600000000, 0.0007955600000000, 0.0011982800000000 ] - [ -0.0003644200000000, 0.0004274600000000, 0.0008207400000000 ] - [ 0.0004907600000000, 0.0007805600000000, 0.0007866400000000 ] - [ 0.0008019400000000, 0.0007102800000000, -0.0002194300000000 ] - [ -0.0008791300000000, 0.0002339500000000, -0.0006459600000000 ] - [ 0.0001746100000000, 0.0005087900000000, 0.0003304100000000 ] - [ -0.0002608500000000, 0.0003681600000000, 0.0003788300000000 ] - [ 0.0007632100000000, 0.0005033700000000, -0.0002582200000000 ] - [ -0.0004901900000000, 0.0005119600000000, -0.0003062700000000 ] - [ 0.0002384300000000, 0.0005187700000000, 0.0003854900000000 ] - [ -0.0002138800000000, 0.0003933700000000, 0.0004199800000000 ] - [ 0.0017253100000000, -0.0042908200000000, 0.0003342500000000 ] - [ 0.0008572600000000, -0.0007854200000000, 0.0012526400000000 ] - [ -0.0004964200000000, 0.0005403700000000, -0.0004480000000000 ] - [ 0.0002699400000000, -0.0004603100000000, 0.0008002100000000 ] - [ 0.0004387900000000, -0.0005857000000000, 0.0003162600000000 ] - [ -0.0010823800000000, -0.0001534400000000, -0.0005055900000000 ] - [ 0.0003489000000000, -0.0005532400000000, 0.0002749100000000 ] - [ -0.0010302500000000, -0.0002618800000000, -0.0004614200000000 ] - [ -0.0003093300000000, 0.0027604300000000, -0.0014515700000000 ] - [ 0.0005186800000000, -0.0007228300000000, 0.0009560100000000 ] - [ 0.0020144900000000, -0.0033868100000000, 0.0017392200000000 ] - [ 0.0004348500000000, -0.0006235900000000, 0.0009428700000000 ] - [ 0.0016288800000000, 0.0033014200000000, 0.0016875300000000 ] - [ 0.0008162700000000, 0.0004076600000000, 0.0014391600000000 ] - [ 0.0009448400000000, 0.0007583700000000, 0.0015531300000000 ] - [ 0.0015424500000000, 0.0015056000000000, 0.0016093500000000 ] - [ -0.0010068200000000, -0.0009333800000000, -0.0013978200000000 ] - [ 0.0004341700000000, 0.0006448300000000, 0.0006275400000000 ] - [ -0.0006740800000000, 0.0008130300000000, -0.0001276800000000 ] - [ 0.0003405600000000, 0.0006088600000000, 0.0003580300000000 ] - [ 0.0004127700000000, 0.0005746400000000, 0.0004209400000000 ] - [ -0.0008850100000000, 0.0006130200000000, -0.0003103900000000 ] - [ 0.0003067200000000, 0.0005574600000000, 0.0005155400000000 ] - [ -0.0023254100000000, -0.0023068900000000, -0.0025474100000000 ] - [ -0.0101484500000000, 0.0023750100000000, 0.0003675000000000 ] - [ 0.0012953300000000, -0.0010457900000000, 0.0009904700000000 ] - [ -0.0003229500000000, -0.0006048200000000, 0.0007469800000000 ] - [ 0.0005093900000000, -0.0007482300000000, 0.0006645100000000 ] - [ -0.0004308700000000, -0.0000224800000000, -0.0005565200000000 ] - [ -0.0005579500000000, 0.0000410600000000, -0.0006694800000000 ] - [ 0.0000375000000000, -0.0006238900000000, 0.0003338100000000 ] - [ -0.0000304300000000, -0.0005013400000000, 0.0002744500000000 ] - [ 0.0012626400000000, -0.0010608700000000, 0.0009605300000000 ] - [ -0.0045008300000000, -0.0010052300000000, 0.0053158600000000 ] - [ 0.0004110100000000, -0.0005774600000000, 0.0005783200000000 ] - [ -0.0002099200000000, -0.0006650000000000, 0.0008453700000000 ] - [ -0.0078816500000000, -0.0078859900000000, -0.0056662000000000 ] - [ 0.0008091700000000, -0.0000205200000000, -0.0005355000000000 ] - [ -0.0005707200000000, 0.0009758300000000, 0.0001871200000000 ] - [ 0.0003923400000000, 0.0003267900000000, -0.0003912800000000 ] - [ 0.0009853300000000, -0.0001496300000000, -0.0013714700000000 ] - [ -0.0002634600000000, 0.0004975200000000, -0.0006027600000000 ] - [ 0.0003531400000000, 0.0002742600000000, -0.0005352700000000 ] - [ 0.0001909200000000, -0.0002028700000000, -0.0009234600000000 ] - [ 0.0012798500000000, 0.0001720900000000, -0.0016709200000000 ] - [ -0.0001720900000000, 0.0010638200000000, 0.0007009500000000 ] - [ 0.0008091000000000, 0.0000183800000000, -0.0003740900000000 ] - [ -0.0002001500000000, 0.0008424200000000, 0.0002697200000000 ] - [ 0.0008158500000000, -0.0000131400000000, -0.0004009400000000 ] - [ -0.0005788300000000, -0.0016062900000000, 0.0009511200000000 ] - [ 0.0003760100000000, -0.0003913900000000, 0.0000674900000000 ] - [ 0.0030132700000000, 0.0117185500000000, 0.0047224500000000 ] - [ -0.0006663900000000, -0.0010028700000000, 0.0000111000000000 ] - [ 0.0006015700000000, -0.0002896900000000, -0.0006321500000000 ] - [ -0.0000337100000000, -0.0003764900000000, -0.0007051700000000 ] - [ 0.0012968300000000, 0.0003703200000000, -0.0013894600000000 ] - [ 0.0001901700000000, -0.0005051500000000, -0.0003335000000000 ] - [ 0.0003195700000000, 0.0003745000000000, -0.0010836100000000 ] - [ 0.0000411400000000, -0.0003530500000000, -0.0004841600000000 ] - [ 0.0016283800000000, -0.0003099700000000, -0.0023108500000000 ] - [ -0.0016744500000000, 0.0018596600000000, 0.0004545700000000 ] - [ 0.0026231700000000, 0.0021063400000000, -0.0013472300000000 ] - [ -0.0000546500000000, 0.0008789700000000, 0.0004054400000000 ] - [ 0.0009150500000000, -0.0008140700000000, -0.0005233300000000 ] - [ -0.0002991300000000, 0.0006819600000000, -0.0004597400000000 ] - [ 0.0009291200000000, -0.0000838300000000, -0.0013729700000000 ] - [ -0.0001221900000000, 0.0001522500000000, -0.0006244600000000 ] - [ 0.0004701800000000, 0.0002278400000000, -0.0006419900000000 ] - [ 0.0005671000000000, 0.0001605800000000, -0.0003372300000000 ] - [ 0.0026527400000000, -0.0257153000000000, -0.0192599500000000 ] - [ 0.0004424800000000, 0.0002385500000000, -0.0004355000000000 ] - [ -0.0008672600000000, 0.0014215300000000, 0.0003723700000000 ] - [ 0.0165252500000000, 0.0123937500000000, 0.0042088700000000 ] - [ 0.0007942900000000, -0.0004357500000000, -0.0000766900000000 ] - [ -0.0002188800000000, -0.0010522900000000, 0.0006168500000000 ] - [ 0.0004141600000000, -0.0001119600000000, -0.0002650600000000 ] - [ 0.0012118200000000, -0.0005080100000000, -0.0024366200000000 ] - [ 0.0002661000000000, -0.0003155100000000, -0.0005008400000000 ] - [ 0.0000526100000000, -0.0001587600000000, -0.0005224600000000 ] - [ 0.0002862900000000, -0.0003302000000000, -0.0004983200000000 ] - [ 0.0011011900000000, 0.0001005900000000, -0.0010929600000000 ] - [ -0.0007077100000000, -0.0002300200000000, -0.0005737600000000 ] - [ 0.0004302300000000, -0.0002312800000000, -0.0005634900000000 ] - [ -0.0006829100000000, -0.0012998500000000, 0.0001030600000000 ] - [ -0.0017659200000000, 0.0002878200000000, -0.0012293500000000 ] - [ 0.0013727500000000, -0.0425544900000000, -0.0605786700000000 ] - [ -0.0010131800000000, -0.0003035600000000, -0.0001962500000000 ] - [ 0.0010422700000000, 0.0008420200000000, -0.0016112600000000 ] - [ -0.0004947200000000, 0.0001094700000000, 0.0019417900000000 ] - [ -0.0037567500000000, 0.0000790900000000, 0.0015812400000000 ] - [ 0.0007489500000000, 0.0006390100000000, -0.0009193100000000 ] - [ -0.0011917500000000, 0.0004626200000000, 0.0002822400000000 ] - [ 0.0009732500000000, 0.0001482400000000, 0.0008837600000000 ] - [ -0.0009988500000000, -0.0006845800000000, 0.0026544000000000 ] - [ -0.0000843800000000, 0.0005232500000000, 0.0001863100000000 ] - [ -0.0004557700000000, -0.0001062200000000, 0.0003527100000000 ] - [ -0.0024211400000000, -0.0008849500000000, -0.0021147800000000 ] - [ -0.0014044400000000, 0.0035294000000000, -0.0029730300000000 ] - [ -0.0008960400000000, -0.0011695900000000, -0.0017732700000000 ] - [ -0.0043641000000000, -0.0045268300000000, 0.0009219500000000 ] - [ 0.0022582200000000, 0.0003078500000000, 0.0013120300000000 ] - [ -0.0009088800000000, -0.0000894500000000, 0.0001958800000000 ] - [ 0.0010856200000000, -0.0011014900000000, 0.0009559800000000 ] - [ -0.0014471300000000, -0.0000099400000000, 0.0009951900000000 ] - [ -0.0006775400000000, 0.0002114700000000, -0.0003192100000000 ] - [ 0.0015201200000000, -0.0029557300000000, 0.0014150200000000 ] - [ -0.0005697500000000, 0.0002356200000000, -0.0003238800000000 ] - [ -0.0025513600000000, 0.0095016700000000, 0.0054074300000000 ] - [ -0.0021418500000000, -0.0093628800000000, 0.0052050100000000 ] - [ -0.0010225400000000, 0.0000840200000000, -0.0017082600000000 ] - [ -0.0024980900000000, 0.0010436200000000, -0.0023835300000000 ] - [ -0.0006444600000000, -0.0009625900000000, -0.0014626200000000 ] - [ -0.0024157300000000, 0.0051460700000000, 0.0051612200000000 ] - [ -0.0012937100000000, 0.0004028400000000, -0.0003627600000000 ] - [ 0.0014863800000000, -0.0006892400000000, 0.0003626300000000 ] - [ -0.0005208200000000, 0.0000785800000000, -0.0000467900000000 ] - [ -0.0014345200000000, -0.0001121000000000, 0.0009229300000000 ] - [ 0.0011872700000000, -0.0000486700000000, 0.0011239300000000 ] - [ -0.0006779200000000, 0.0000439600000000, 0.0001111700000000 ] - [ 0.0013789300000000, 0.0021221400000000, 0.0011337300000000 ] - [ 0.0501822000000000, 0.0042357000000000, -0.0141945200000000 ] - [ -0.0019602000000000, 0.0004104400000000, -0.0007454000000000 ] - [ 0.0008842200000000, -0.0003520400000000, -0.0011921900000000 ] - [ -0.0009119600000000, -0.0000901900000000, -0.0004412300000000 ] - [ -0.0017779400000000, -0.0008049200000000, 0.0029724400000000 ] - [ 0.0010265400000000, -0.0007244200000000, 0.0009022500000000 ] - [ -0.0003128300000000, -0.0001129200000000, 0.0001830500000000 ] - [ -0.0001101200000000, 0.0000406000000000, 0.0002635700000000 ] - [ -0.0025990200000000, 0.0007845200000000, 0.0008819300000000 ] - [ 0.0017939200000000, -0.0018218900000000, 0.0002556500000000 ] - [ -0.0007901400000000, 0.0001670600000000, 0.0001061600000000 ] - [ 0.0007740100000000, -0.0001364100000000, -0.0008560200000000 ]- atom: 49 displacement: [ 0.0099999206929856, 0.0000000000000000, 0.0000398262978187 ] forces: - [ -0.0038460400000000, 0.0082678700000000, 0.0077811800000000 ] - [ 0.0018281400000000, 0.0011210000000000, 0.0011564600000000 ] - [ -0.0013239600000000, -0.0006111500000000, 0.0002261600000000 ] - [ 0.0008936800000000, 0.0007526500000000, 0.0008909700000000 ] - [ 0.0026615400000000, 0.0028791000000000, 0.0012717800000000 ] - [ 0.0043465500000000, 0.0013332900000000, 0.0046444500000000 ] - [ -0.0000533300000000, -0.0004975200000000, -0.0004814300000000 ] - [ -0.0002337500000000, 0.0003778200000000, 0.0006877700000000 ] - [ 0.0003405100000000, 0.0000087600000000, -0.0003674100000000 ] - [ -0.0008037200000000, 0.0008711700000000, 0.0002787800000000 ] - [ 0.0001934500000000, 0.0005806600000000, 0.0003359300000000 ] - [ -0.0002908800000000, -0.0001175100000000, 0.0001295700000000 ] - [ 0.0295865900000000, -0.0229242400000000, 0.0050316500000000 ] - [ 0.0024657700000000, -0.0003860600000000, 0.0017284600000000 ] - [ -0.0005081300000000, -0.0006721400000000, 0.0004669400000000 ] - [ 0.0012010900000000, -0.0016933800000000, 0.0011323000000000 ] - [ 0.0012256000000000, -0.0006362800000000, 0.0002517100000000 ] - [ -0.0030615200000000, 0.0010809000000000, -0.0011055400000000 ] - [ 0.0005497300000000, -0.0008106200000000, 0.0005437700000000 ] - [ -0.0001257200000000, -0.0012418100000000, 0.0014177000000000 ] - [ -0.0031131300000000, 0.0031298900000000, -0.0036671100000000 ] - [ 0.0015810300000000, -0.0004480800000000, 0.0016546000000000 ] - [ -0.0003317900000000, -0.0007436200000000, 0.0002764500000000 ] - [ 0.0003395100000000, -0.0007742400000000, 0.0005496100000000 ] - [ 0.0039038000000000, 0.0043644600000000, 0.0005416600000000 ] - [ 0.0041729600000000, 0.0013364400000000, 0.0064676800000000 ] - [ 0.0000192200000000, -0.0009780100000000, -0.0005597700000000 ] - [ -0.0001260400000000, 0.0005212000000000, 0.0005850700000000 ] - [ -0.0065417300000000, -0.0046832300000000, -0.0083383500000000 ] - [ 0.0017843100000000, 0.0014720000000000, 0.0014397600000000 ] - [ -0.0013160400000000, -0.0004632500000000, 0.0006229800000000 ] - [ 0.0007947000000000, 0.0005512900000000, 0.0007409700000000 ] - [ 0.0008977100000000, 0.0004454000000000, 0.0001934100000000 ] - [ -0.0014907600000000, 0.0007269600000000, -0.0002709000000000 ] - [ 0.0003464200000000, 0.0005533300000000, 0.0003131000000000 ] - [ -0.0002168100000000, 0.0003262400000000, 0.0006078400000000 ] - [ 0.0063634100000000, -0.0227259300000000, 0.0022307000000000 ] - [ 0.0012003100000000, -0.0004345800000000, 0.0011764800000000 ] - [ -0.0008377900000000, -0.0004490900000000, 0.0006568500000000 ] - [ 0.0018739400000000, -0.0017777900000000, 0.0011889000000000 ] - [ -0.0008651500000000, 0.0021939200000000, -0.0022488500000000 ] - [ 0.0013726000000000, -0.0011885100000000, 0.0017791700000000 ] - [ 0.0001714700000000, -0.0012883400000000, 0.0003624800000000 ] - [ 0.0000825500000000, -0.0005494500000000, 0.0004511300000000 ] - [ 0.0016057100000000, -0.0011937400000000, 0.0003206600000000 ] - [ -0.0009334900000000, 0.0000284900000000, -0.0001342000000000 ] - [ 0.0005475000000000, -0.0003850000000000, 0.0003145700000000 ] - [ -0.0001355000000000, -0.0014240700000000, 0.0013897800000000 ] - [ -0.2159902300000000, 0.0863309400000000, 0.1170678200000000 ] - [ 0.0018149700000000, 0.0000108300000000, -0.0008615600000000 ] - [ -0.0003480100000000, 0.0000436200000000, -0.0003426100000000 ] - [ 0.0009588900000000, -0.0004062700000000, -0.0005827100000000 ] - [ 0.0031799700000000, -0.0007674300000000, -0.0032791500000000 ] - [ -0.0006884300000000, 0.0018546900000000, 0.0011030800000000 ] - [ 0.0004010400000000, -0.0002654800000000, -0.0007062800000000 ] - [ 0.0001048300000000, 0.0002161400000000, -0.0001773600000000 ] - [ 0.0031982400000000, 0.0004113300000000, -0.0043344900000000 ] - [ -0.0006830400000000, 0.0021988600000000, 0.0013187900000000 ] - [ 0.0003979900000000, -0.0001859400000000, -0.0008317200000000 ] - [ 0.0001074000000000, 0.0000547200000000, -0.0003049000000000 ] - [ 0.0020837400000000, 0.0010713100000000, -0.0011055200000000 ] - [ -0.0027230400000000, -0.0053921700000000, 0.0044241500000000 ] - [ 0.0010076000000000, -0.0002942700000000, -0.0008434800000000 ] - [ -0.0007405700000000, -0.0010400200000000, -0.0001266400000000 ] - [ -0.0027046400000000, -0.0013243700000000, 0.0011211900000000 ] - [ 0.0020816900000000, -0.0002970800000000, -0.0015922600000000 ] - [ -0.0007766700000000, -0.0035421300000000, 0.0040077500000000 ] - [ 0.0010099800000000, 0.0006444600000000, -0.0006997500000000 ] - [ 0.0003710500000000, -0.0007239900000000, -0.0004465500000000 ] - [ 0.0003758500000000, 0.0007321900000000, -0.0012596400000000 ] - [ -0.0001073000000000, 0.0001750800000000, -0.0008175400000000 ] - [ -0.0001180000000000, -0.0009443000000000, 0.0000227500000000 ] - [ 0.0034048700000000, -0.0019885700000000, -0.0013627200000000 ] - [ -0.0002539500000000, 0.0014542000000000, 0.0005302100000000 ] - [ -0.0002626500000000, 0.0017297600000000, 0.0010714200000000 ] - [ 0.0034141000000000, -0.0064999500000000, -0.0014380200000000 ] - [ -0.0017313700000000, 0.0015835400000000, 0.0011251600000000 ] - [ 0.0010595700000000, -0.0003416100000000, -0.0009606500000000 ] - [ -0.0010480900000000, -0.0008434800000000, -0.0017763600000000 ] - [ 0.0010037200000000, 0.0000338800000000, -0.0009335800000000 ] - [ 0.0010055200000000, -0.0000179400000000, -0.0007850400000000 ] - [ -0.0010732400000000, 0.0016439100000000, 0.0009061000000000 ] - [ 0.0010604600000000, -0.0002536400000000, -0.0009571100000000 ] - [ -0.0017329400000000, 0.0019116800000000, 0.0010079700000000 ] - [ 0.0182985100000000, -0.0064566200000000, -0.0322084100000000 ] - [ 0.0018148900000000, 0.0012673200000000, -0.0007205000000000 ] - [ -0.0006484000000000, -0.0012520300000000, 0.0000596000000000 ] - [ 0.0002849800000000, -0.0008573700000000, -0.0000468400000000 ] - [ 0.0180206600000000, 0.0082146900000000, -0.0218186300000000 ] - [ 0.0018116000000000, 0.0006039600000000, -0.0005210700000000 ] - [ -0.0006486600000000, -0.0015893800000000, 0.0002483900000000 ] - [ 0.0002833800000000, -0.0006363000000000, -0.0001376000000000 ] - [ 0.0019941900000000, 0.0006737400000000, -0.0022344200000000 ] - [ -0.0010154700000000, -0.0005485200000000, 0.0002451100000000 ] - [ 0.0005263500000000, -0.0002568500000000, -0.0006489900000000 ] - [ -0.0004814100000000, -0.0013391500000000, 0.0004500300000000 ] - [ -0.0028704200000000, -0.0002423300000000, -0.0003993800000000 ] - [ 0.0006818500000000, 0.0005722000000000, 0.0015489300000000 ] - [ -0.0020561200000000, -0.0009675900000000, 0.0007561800000000 ] - [ 0.0026029400000000, 0.0032087600000000, -0.0031269100000000 ] - [ -0.0144192500000000, 0.0043063100000000, -0.0109039100000000 ] - [ -0.0016250800000000, -0.0030218600000000, -0.0020828200000000 ] - [ 0.0014954600000000, 0.0000605800000000, -0.0018876500000000 ] - [ -0.0049729500000000, 0.0030085700000000, 0.0026414000000000 ] - [ 0.0039784500000000, -0.0016071400000000, 0.0009700400000000 ] - [ -0.0012774600000000, 0.0016002200000000, 0.0000561100000000 ] - [ -0.0006498200000000, 0.0015464100000000, 0.0009629400000000 ] - [ -0.0008782400000000, -0.0001798400000000, 0.0005028100000000 ] - [ -0.0056146000000000, -0.0031633000000000, -0.0028563400000000 ] - [ -0.0037588100000000, 0.0200259400000000, -0.0188817700000000 ] - [ -0.0021919500000000, 0.0033361900000000, 0.0013612300000000 ] - [ 0.0011735100000000, -0.0007026400000000, -0.0010641700000000 ] - [ 0.0120371200000000, -0.0001641000000000, 0.0034056700000000 ] - [ -0.0033299900000000, -0.0004166900000000, 0.0005394500000000 ] - [ 0.0035930800000000, 0.0011541100000000, -0.0037224000000000 ] - [ -0.0017298700000000, 0.0001420000000000, 0.0003220400000000 ] - [ -0.0015250100000000, 0.0012101900000000, -0.0003077500000000 ] - [ 0.0023183000000000, -0.0043804900000000, 0.0015980900000000 ] - [ -0.0008939100000000, 0.0001199500000000, 0.0005199200000000 ] - [ 0.0006220100000000, -0.0001135700000000, -0.0002601400000000 ] - [ -0.0033539700000000, -0.0163216100000000, 0.0126164400000000 ] - [ -0.0028043600000000, -0.0051395900000000, -0.0040962100000000 ] - [ 0.0004552300000000, 0.0021403400000000, 0.0007682900000000 ] - [ -0.0003659100000000, 0.0007351200000000, -0.0003337900000000 ] - [ 0.1243914600000000, -0.0359748400000000, -0.0593691100000000 ] - [ -0.0040322900000000, -0.0007937000000000, -0.0008887900000000 ] - [ 0.0012833000000000, 0.0021700500000000, -0.0001535000000000 ] - [ -0.0019866200000000, 0.0008151700000000, -0.0007875900000000 ] - [ -0.0033038000000000, -0.0004124500000000, 0.0024100500000000 ] - [ 0.0029438100000000, -0.0001269600000000, -0.0005236700000000 ] - [ -0.0009760900000000, 0.0003009400000000, 0.0001999500000000 ] - [ -0.0002076000000000, 0.0013428500000000, -0.0010821300000000 ] - [ 0.0425140900000000, -0.0093775500000000, -0.0060784600000000 ] - [ -0.0037210300000000, -0.0005364300000000, -0.0000549400000000 ] - [ 0.0017318300000000, 0.0005128800000000, 0.0001687300000000 ] - [ -0.0016130500000000, 0.0015531400000000, -0.0011652300000000 ] - [ -0.0102452800000000, -0.0058313500000000, 0.0057783000000000 ] - [ -0.0041976500000000, -0.0019832200000000, -0.0034976700000000 ] - [ 0.0008795000000000, 0.0015922100000000, -0.0000146800000000 ] - [ -0.0001297700000000, 0.0001031200000000, -0.0003790500000000 ] - [ -0.0032045100000000, 0.0020882100000000, 0.0038252500000000 ] - [ 0.0016509900000000, -0.0018098100000000, -0.0011803500000000 ] - [ -0.0006681900000000, 0.0000185800000000, 0.0003127300000000 ] - [ 0.0007561900000000, 0.0009818400000000, -0.0006794100000000 ]- atom: 49 displacement: [ -0.0099999206929856, 0.0000000000000000, -0.0000398262978187 ] forces: - [ 0.0040968900000000, -0.0069604400000000, -0.0065296200000000 ] - [ -0.0017593300000000, -0.0000128200000000, -0.0000666900000000 ] - [ 0.0014146300000000, 0.0017398300000000, 0.0008702400000000 ] - [ -0.0008166700000000, 0.0003653600000000, 0.0002017700000000 ] - [ -0.0026156600000000, -0.0017918100000000, -0.0001890200000000 ] - [ -0.0043007900000000, -0.0002475500000000, -0.0035851400000000 ] - [ 0.0001364700000000, 0.0016252800000000, 0.0015874800000000 ] - [ 0.0003202200000000, 0.0007473900000000, 0.0004098000000000 ] - [ -0.0002679500000000, 0.0011025200000000, 0.0014637200000000 ] - [ 0.0009047600000000, 0.0002389200000000, 0.0008345300000000 ] - [ -0.0001134100000000, 0.0005377400000000, 0.0007616900000000 ] - [ 0.0003758900000000, 0.0012446900000000, 0.0009731800000000 ] - [ -0.0303560900000000, 0.0222402100000000, -0.0039701500000000 ] - [ -0.0023929500000000, -0.0007324600000000, -0.0006379200000000 ] - [ 0.0005897600000000, -0.0004318600000000, 0.0006164300000000 ] - [ -0.0011340300000000, 0.0005917600000000, -0.0000452000000000 ] - [ -0.0011551700000000, -0.0004775500000000, 0.0008453100000000 ] - [ 0.0031824100000000, -0.0022205300000000, 0.0022359800000000 ] - [ -0.0004745600000000, -0.0003011400000000, 0.0005500500000000 ] - [ 0.0002072500000000, 0.0001348900000000, -0.0003294900000000 ] - [ 0.0031973800000000, -0.0042668400000000, 0.0047821200000000 ] - [ -0.0015081600000000, -0.0006732300000000, -0.0005668300000000 ] - [ 0.0004045800000000, -0.0003567300000000, 0.0008167900000000 ] - [ -0.0002579800000000, -0.0003376600000000, 0.0005476100000000 ] - [ -0.0038267900000000, -0.0032596600000000, 0.0005373300000000 ] - [ -0.0041381100000000, -0.0002307500000000, -0.0054389000000000 ] - [ 0.0000574400000000, 0.0021091100000000, 0.0016630800000000 ] - [ 0.0002204700000000, 0.0006044800000000, 0.0005120700000000 ] - [ 0.0066780600000000, 0.0059891100000000, 0.0096867100000000 ] - [ -0.0017147800000000, -0.0003632800000000, -0.0003496700000000 ] - [ 0.0014059400000000, 0.0015884600000000, 0.0004692600000000 ] - [ -0.0007206300000000, 0.0005644400000000, 0.0003513800000000 ] - [ -0.0008226800000000, 0.0006715600000000, 0.0009061200000000 ] - [ 0.0015829400000000, 0.0003855700000000, 0.0013752600000000 ] - [ -0.0002662100000000, 0.0005626000000000, 0.0007846300000000 ] - [ 0.0003048000000000, 0.0008031400000000, 0.0004990200000000 ] - [ -0.0064960300000000, 0.0215769200000000, -0.0011938700000000 ] - [ -0.0011259400000000, -0.0006862200000000, -0.0000884700000000 ] - [ 0.0009206700000000, -0.0006566200000000, 0.0004310500000000 ] - [ -0.0018122000000000, 0.0006758000000000, -0.0001018700000000 ] - [ 0.0009555700000000, -0.0033499700000000, 0.0033848200000000 ] - [ -0.0013003100000000, 0.0000720500000000, -0.0006879700000000 ] - [ -0.0000952300000000, 0.0001839300000000, 0.0007323700000000 ] - [ -0.0000032900000000, -0.0005629500000000, 0.0006440900000000 ] - [ -0.0015325500000000, 0.0000762500000000, 0.0007774000000000 ] - [ 0.0010680000000000, -0.0011553900000000, 0.0012795100000000 ] - [ -0.0004725800000000, -0.0007273600000000, 0.0007788300000000 ] - [ 0.0002149100000000, 0.0003186800000000, -0.0003029800000000 ] - [ 0.2222683900000000, -0.0892121100000000, -0.1232606900000000 ] - [ -0.0016426900000000, 0.0008940700000000, 0.0003849200000000 ] - [ 0.0005269500000000, 0.0008744700000000, -0.0001330400000000 ] - [ -0.0007878500000000, 0.0013230500000000, 0.0001079900000000 ] - [ -0.0030321500000000, 0.0016876200000000, 0.0028308500000000 ] - [ 0.0008764100000000, -0.0009630300000000, -0.0015874700000000 ] - [ -0.0002237300000000, 0.0011818800000000, 0.0002329000000000 ] - [ 0.0000712700000000, 0.0007001400000000, -0.0002951700000000 ] - [ -0.0030218700000000, 0.0004980200000000, 0.0038651700000000 ] - [ 0.0008823900000000, -0.0013228600000000, -0.0018126900000000 ] - [ -0.0002270900000000, 0.0011035600000000, 0.0003615100000000 ] - [ 0.0000724500000000, 0.0008626900000000, -0.0001690200000000 ] - [ -0.0019106900000000, -0.0019817600000000, 0.0006299600000000 ] - [ 0.0029289800000000, 0.0045225600000000, -0.0049422600000000 ] - [ -0.0008382200000000, -0.0006169600000000, 0.0003739900000000 ] - [ 0.0009654900000000, 0.0001940700000000, -0.0003722200000000 ] - [ 0.0029208400000000, 0.0004437200000000, -0.0016112400000000 ] - [ -0.0019181600000000, -0.0006099400000000, 0.0011258300000000 ] - [ 0.0009621800000000, 0.0026576200000000, -0.0045182600000000 ] - [ -0.0008357800000000, -0.0015613100000000, 0.0002222600000000 ] - [ -0.0001976700000000, -0.0001791000000000, -0.0000265600000000 ] - [ -0.0001981600000000, -0.0016461800000000, 0.0007881200000000 ] - [ 0.0002922800000000, -0.0010863500000000, 0.0003451200000000 ] - [ 0.0002885900000000, 0.0000359100000000, -0.0004905600000000 ] - [ -0.0032784200000000, 0.0029273800000000, 0.0008898700000000 ] - [ 0.0004492700000000, -0.0005598100000000, -0.0010274800000000 ] - [ 0.0004459600000000, -0.0008249800000000, -0.0015566600000000 ] - [ -0.0032703700000000, 0.0074989100000000, 0.0009770400000000 ] - [ 0.0019278400000000, -0.0006854300000000, -0.0016133900000000 ] - [ -0.0008871500000000, 0.0012526000000000, 0.0004882300000000 ] - [ 0.0012372800000000, 0.0017808300000000, 0.0013275500000000 ] - [ -0.0008330000000000, 0.0008784400000000, 0.0004626800000000 ] - [ -0.0008299100000000, 0.0009255000000000, 0.0003102300000000 ] - [ 0.0012336800000000, -0.0006839900000000, -0.0013340100000000 ] - [ -0.0008870700000000, 0.0011670100000000, 0.0004844500000000 ] - [ 0.0019249100000000, -0.0010107700000000, -0.0014950500000000 ] - [ -0.0179048400000000, 0.0053816900000000, 0.0313122600000000 ] - [ -0.0016457200000000, -0.0021896200000000, 0.0002433000000000 ] - [ 0.0008350500000000, 0.0003579500000000, -0.0005448700000000 ] - [ -0.0001024100000000, -0.0000398200000000, -0.0004357800000000 ] - [ -0.0181053100000000, -0.0093226300000000, 0.0217981500000000 ] - [ -0.0016457500000000, -0.0015244300000000, 0.0000484600000000 ] - [ 0.0008360900000000, 0.0006971600000000, -0.0007346200000000 ] - [ -0.0001041000000000, -0.0002655000000000, -0.0003426800000000 ] - [ -0.0018288100000000, -0.0015932300000000, 0.0017712100000000 ] - [ 0.0011980500000000, -0.0003780200000000, -0.0007078000000000 ] - [ -0.0003504600000000, -0.0006479000000000, 0.0001731600000000 ] - [ 0.0006668200000000, 0.0004457800000000, -0.0009345200000000 ] - [ 0.0026263800000000, 0.0006576800000000, -0.0002204600000000 ] - [ -0.0010172500000000, -0.0002984900000000, -0.0022579200000000 ] - [ 0.0018103900000000, 0.0013696200000000, -0.0013763000000000 ] - [ -0.0028772400000000, -0.0028325500000000, 0.0025311400000000 ] - [ 0.0143241300000000, -0.0039170900000000, 0.0104317000000000 ] - [ 0.0013675700000000, 0.0034659000000000, 0.0014968200000000 ] - [ -0.0017654900000000, 0.0003219000000000, 0.0012869500000000 ] - [ 0.0047627400000000, -0.0026344700000000, -0.0032887100000000 ] - [ -0.0042851500000000, 0.0020206300000000, -0.0016123100000000 ] - [ 0.0010328100000000, -0.0011917700000000, -0.0006833500000000 ] - [ 0.0004046600000000, -0.0011647900000000, -0.0016002400000000 ] - [ 0.0006261100000000, 0.0005804200000000, -0.0011268300000000 ] - [ 0.0053721200000000, 0.0027711400000000, 0.0022504900000000 ] - [ 0.0035151200000000, -0.0205860400000000, 0.0184307500000000 ] - [ 0.0019579100000000, -0.0037791900000000, -0.0019967800000000 ] - [ -0.0014801800000000, 0.0002826300000000, 0.0004847600000000 ] - [ -0.0124361400000000, -0.0002580200000000, -0.0040928100000000 ] - [ 0.0030959000000000, 0.0000128200000000, -0.0011643000000000 ] - [ -0.0038825200000000, -0.0015692600000000, 0.0031351100000000 ] - [ 0.0014835000000000, -0.0005480500000000, -0.0009425600000000 ] - [ 0.0012743700000000, -0.0016200800000000, -0.0003139200000000 ] - [ -0.0025922300000000, 0.0040077000000000, -0.0022275600000000 ] - [ 0.0006355300000000, -0.0005241600000000, -0.0011436200000000 ] - [ -0.0008718600000000, -0.0003280600000000, -0.0003846500000000 ] - [ 0.0031208300000000, 0.0167742000000000, -0.0132795800000000 ] - [ 0.0025514000000000, 0.0055986300000000, 0.0035180600000000 ] - [ -0.0007063500000000, -0.0017640300000000, -0.0013873200000000 ] - [ 0.0001033400000000, -0.0003525500000000, -0.0002897300000000 ] - [ -0.1300131400000000, 0.0396019300000000, 0.0639219600000000 ] - [ 0.0037901900000000, 0.0012116000000000, 0.0002698400000000 ] - [ -0.0015424500000000, -0.0017942800000000, -0.0004568400000000 ] - [ 0.0017460700000000, -0.0004215400000000, 0.0001774200000000 ] - [ 0.0030709000000000, 0.0008201100000000, -0.0030505400000000 ] - [ -0.0032359200000000, 0.0005527800000000, -0.0001136300000000 ] - [ 0.0007252300000000, 0.0000970300000000, -0.0008224000000000 ] - [ -0.0000508100000000, -0.0009627000000000, 0.0004635700000000 ] - [ -0.0427335200000000, 0.0091457600000000, 0.0055819800000000 ] - [ 0.0034833700000000, 0.0001431100000000, -0.0005588300000000 ] - [ -0.0020032100000000, -0.0009381600000000, -0.0007827900000000 ] - [ 0.0013619700000000, -0.0019787300000000, 0.0005578500000000 ] - [ 0.0100988200000000, 0.0054829300000000, -0.0064480900000000 ] - [ 0.0039640300000000, 0.0016016000000000, 0.0028959700000000 ] - [ -0.0011494500000000, -0.0020177700000000, -0.0006020200000000 ] - [ -0.0001338500000000, -0.0005182200000000, -0.0002421600000000 ] - [ 0.0029660400000000, -0.0024890700000000, -0.0044574900000000 ] - [ -0.0019460700000000, 0.0014715200000000, 0.0005252400000000 ] - [ 0.0004150400000000, -0.0004331600000000, -0.0009349400000000 ] - [ -0.0010263900000000, -0.0014041800000000, 0.0000640600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0113787800000000, 0.0169153600000000, 0.0214165100000000 ] - [ -0.0011961900000000, -0.0003190500000000, 0.0000944100000000 ] - [ 0.0009794400000000, 0.0023313800000000, 0.0006783400000000 ] - [ -0.0001711500000000, 0.0010499800000000, 0.0005291100000000 ] - [ -0.0007110900000000, -0.0008963200000000, 0.0002519500000000 ] - [ -0.0057072200000000, -0.0033272400000000, -0.0052747700000000 ] - [ -0.0001101900000000, 0.0016689700000000, 0.0009878500000000 ] - [ 0.0015624300000000, 0.0025072300000000, 0.0013621900000000 ] - [ -0.0006144700000000, 0.0001942400000000, 0.0007693500000000 ] - [ 0.0008143000000000, -0.0005650300000000, 0.0011624600000000 ] - [ 0.0002465300000000, 0.0011190000000000, 0.0009626200000000 ] - [ 0.0006102700000000, 0.0022013200000000, 0.0019117900000000 ] - [ -0.0222711900000000, 0.0058687300000000, -0.0019358700000000 ] - [ 0.0002019000000000, -0.0015769100000000, 0.0007104500000000 ] - [ 0.0001332700000000, 0.0006932700000000, -0.0001579600000000 ] - [ -0.0015355600000000, 0.0013847600000000, -0.0003770800000000 ] - [ -0.0003013200000000, -0.0010451600000000, 0.0009762100000000 ] - [ 0.0062609600000000, -0.0044219500000000, 0.0062761700000000 ] - [ -0.0005467700000000, 0.0000500900000000, 0.0003264600000000 ] - [ -0.0001186000000000, 0.0010756900000000, -0.0007055400000000 ] - [ 0.0019558200000000, -0.0034547400000000, 0.0021348200000000 ] - [ -0.0006833700000000, -0.0013467300000000, 0.0001011600000000 ] - [ -0.0004897500000000, 0.0009833100000000, 0.0004737300000000 ] - [ -0.0001195200000000, 0.0000343500000000, 0.0005695700000000 ] - [ 0.0003363500000000, -0.0020114300000000, -0.0014043500000000 ] - [ -0.0034596800000000, -0.0004445400000000, -0.0043564700000000 ] - [ -0.0001375300000000, 0.0029284000000000, 0.0020697900000000 ] - [ 0.0012201200000000, 0.0016270300000000, 0.0010168500000000 ] - [ -0.0025840400000000, 0.0193697500000000, 0.0329789900000000 ] - [ -0.0007106700000000, -0.0002328500000000, 0.0002772900000000 ] - [ 0.0015669600000000, 0.0025610900000000, 0.0006047500000000 ] - [ -0.0005131300000000, 0.0008985100000000, 0.0003469300000000 ] - [ -0.0008795100000000, -0.0000417500000000, 0.0004507200000000 ] - [ 0.0017366900000000, 0.0003190100000000, 0.0017269600000000 ] - [ 0.0001146800000000, 0.0010050500000000, 0.0009075600000000 ] - [ 0.0007314600000000, 0.0019718900000000, 0.0015460000000000 ] - [ -0.0232174900000000, 0.0287756900000000, -0.0037118800000000 ] - [ -0.0001146400000000, -0.0011484200000000, 0.0004957800000000 ] - [ 0.0002357700000000, 0.0018608300000000, -0.0008049700000000 ] - [ -0.0013693200000000, 0.0006302400000000, -0.0001014200000000 ] - [ 0.0009127300000000, -0.0015664200000000, 0.0014786400000000 ] - [ -0.0011021200000000, -0.0006695900000000, -0.0003196000000000 ] - [ -0.0012639400000000, 0.0015369700000000, 0.0005052900000000 ] - [ 0.0003502200000000, -0.0001688100000000, 0.0007478900000000 ] - [ -0.0007285800000000, -0.0007702200000000, 0.0009634200000000 ] - [ 0.0043874600000000, -0.0017183900000000, 0.0044346900000000 ] - [ -0.0004239500000000, -0.0000520000000000, 0.0003574300000000 ] - [ -0.0001745600000000, 0.0007341300000000, -0.0003630200000000 ] - [ 0.0876256500000000, -0.2406225300000000, -0.1397493200000000 ] - [ -0.0003473600000000, -0.0001955600000000, -0.0001703300000000 ] - [ -0.0003286300000000, 0.0025251100000000, 0.0004242300000000 ] - [ -0.0007727100000000, 0.0016390500000000, 0.0001809900000000 ] - [ 0.0000693500000000, -0.0009353800000000, -0.0004015200000000 ] - [ 0.0018524600000000, -0.0024255400000000, -0.0018228000000000 ] - [ -0.0005556600000000, 0.0019325700000000, 0.0003578300000000 ] - [ -0.0003159600000000, 0.0017939900000000, 0.0004577700000000 ] - [ -0.0011288900000000, -0.0009218800000000, 0.0013469600000000 ] - [ 0.0014962700000000, -0.0024221400000000, -0.0016176400000000 ] - [ -0.0006344800000000, 0.0019307000000000, 0.0007089400000000 ] - [ -0.0001549400000000, 0.0017953500000000, 0.0004104500000000 ] - [ -0.0000633600000000, -0.0005431800000000, -0.0001934800000000 ] - [ 0.0009766500000000, 0.0036200500000000, -0.0038576500000000 ] - [ -0.0010114600000000, -0.0007652500000000, 0.0007904200000000 ] - [ 0.0031796900000000, 0.0033467400000000, -0.0015236700000000 ] - [ 0.0050391900000000, 0.0036281100000000, -0.0015098600000000 ] - [ -0.0014334300000000, -0.0005459800000000, 0.0007640900000000 ] - [ 0.0007258700000000, 0.0033485000000000, -0.0059781500000000 ] - [ -0.0000669000000000, -0.0007593700000000, -0.0003028700000000 ] - [ -0.0011053200000000, -0.0006693000000000, 0.0010832800000000 ] - [ 0.0003617400000000, -0.0006655300000000, 0.0000058600000000 ] - [ 0.0005775900000000, -0.0003308000000000, -0.0004155500000000 ] - [ -0.0005400200000000, -0.0003357900000000, 0.0004610700000000 ] - [ -0.0068699600000000, 0.0042672900000000, 0.0009180700000000 ] - [ 0.0013639500000000, 0.0000265900000000, -0.0013403600000000 ] - [ 0.0010997800000000, 0.0000211600000000, -0.0013940900000000 ] - [ -0.0023566300000000, 0.0042586700000000, 0.0007494700000000 ] - [ 0.0015445500000000, -0.0000950200000000, -0.0016464400000000 ] - [ -0.0006169300000000, 0.0009609500000000, 0.0002408000000000 ] - [ 0.0012336500000000, 0.0050896900000000, 0.0047322200000000 ] - [ -0.0003799100000000, 0.0007037800000000, 0.0002236700000000 ] - [ -0.0003303800000000, 0.0007056000000000, 0.0000717900000000 ] - [ -0.0012321100000000, 0.0050716200000000, 0.0038792500000000 ] - [ -0.0007060600000000, 0.0009602400000000, 0.0003159200000000 ] - [ 0.0012224600000000, -0.0000990400000000, -0.0012147000000000 ] - [ -0.0086210500000000, -0.0057293100000000, 0.0136493000000000 ] - [ -0.0009724400000000, -0.0023591900000000, 0.0001681400000000 ] - [ 0.0012346500000000, 0.0017769000000000, -0.0015106100000000 ] - [ 0.0002758900000000, 0.0005741500000000, -0.0005818300000000 ] - [ 0.0061760100000000, -0.0056747300000000, -0.0067210500000000 ] - [ -0.0016335500000000, -0.0023596300000000, 0.0004286700000000 ] - [ 0.0008948200000000, 0.0017758600000000, -0.0012746600000000 ] - [ 0.0005005400000000, 0.0005756400000000, -0.0007461100000000 ] - [ -0.0010376400000000, -0.0016549000000000, 0.0009245900000000 ] - [ 0.0001641800000000, -0.0030016200000000, 0.0015547900000000 ] - [ -0.0001048600000000, -0.0000225300000000, -0.0001113300000000 ] - [ 0.0009814600000000, 0.0013665900000000, -0.0011765300000000 ] - [ 0.0015952500000000, 0.0014396900000000, -0.0007580100000000 ] - [ -0.0075206700000000, -0.0110211900000000, -0.0071780500000000 ] - [ 0.0009030800000000, -0.0003765200000000, -0.0004698000000000 ] - [ -0.0014372200000000, -0.0036162200000000, 0.0024191200000000 ] - [ 0.0245376700000000, -0.0008899500000000, 0.0198739300000000 ] - [ -0.0007524300000000, 0.0022503200000000, 0.0011064200000000 ] - [ -0.0030959700000000, -0.0051013800000000, 0.0022084000000000 ] - [ 0.0036550300000000, -0.0021492700000000, -0.0019790700000000 ] - [ -0.0024462300000000, 0.0010635500000000, -0.0000137300000000 ] - [ 0.0010927200000000, 0.0004181500000000, -0.0009993700000000 ] - [ 0.0031268800000000, -0.0033677000000000, -0.0046241400000000 ] - [ -0.0001152600000000, -0.0003459100000000, -0.0007497500000000 ] - [ -0.0005723100000000, 0.0014026700000000, 0.0006778300000000 ] - [ 0.0055385300000000, -0.0142628600000000, 0.0116596700000000 ] - [ 0.0028806700000000, -0.0058150400000000, -0.0031348200000000 ] - [ -0.0038391800000000, -0.0022238000000000, 0.0018518900000000 ] - [ -0.0242545700000000, -0.0035258500000000, -0.0149031900000000 ] - [ 0.0018727000000000, 0.0004730500000000, -0.0012891300000000 ] - [ -0.0043202500000000, -0.0033775400000000, 0.0038560300000000 ] - [ 0.0007046100000000, -0.0010384400000000, -0.0003977600000000 ] - [ 0.0019639500000000, -0.0000952300000000, -0.0011129800000000 ] - [ -0.0019020000000000, 0.0018173500000000, -0.0006309100000000 ] - [ -0.0003800200000000, -0.0010489500000000, -0.0005774500000000 ] - [ 0.0002465200000000, -0.0035129400000000, -0.0026022600000000 ] - [ 0.0004684300000000, 0.0142177400000000, -0.0042525800000000 ] - [ 0.0006627900000000, 0.0059355000000000, 0.0029107200000000 ] - [ 0.0001069800000000, -0.0037871700000000, -0.0009677800000000 ] - [ -0.0000009000000000, -0.0019964200000000, -0.0010353600000000 ] - [ -0.0286919200000000, 0.0525928100000000, 0.0220647900000000 ] - [ 0.0005996400000000, 0.0025038500000000, -0.0010419100000000 ] - [ -0.0004676200000000, -0.0041238100000000, -0.0004057600000000 ] - [ 0.0019075200000000, -0.0015714500000000, 0.0006520100000000 ] - [ 0.0011238500000000, 0.0020227800000000, -0.0015013200000000 ] - [ -0.0060067400000000, 0.0040448400000000, -0.0032660400000000 ] - [ 0.0008670600000000, -0.0009720100000000, -0.0008931600000000 ] - [ 0.0005213600000000, -0.0028992600000000, 0.0001000200000000 ] - [ -0.0201265100000000, 0.1344032300000000, 0.0589484500000000 ] - [ 0.0019713500000000, 0.0015192000000000, -0.0003869200000000 ] - [ -0.0011720400000000, -0.0046062800000000, 0.0007154700000000 ] - [ 0.0003917400000000, -0.0024840100000000, 0.0002330100000000 ] - [ 0.0006281600000000, 0.0020877500000000, -0.0021882800000000 ] - [ 0.0036952900000000, 0.0036638700000000, 0.0028434100000000 ] - [ -0.0002818500000000, -0.0039321400000000, 0.0005776600000000 ] - [ -0.0017418900000000, -0.0022009600000000, -0.0012113600000000 ] - [ 0.0018090500000000, 0.0000317400000000, -0.0022688600000000 ] - [ -0.0019218500000000, 0.0060838600000000, -0.0031988800000000 ] - [ 0.0001650600000000, -0.0017167200000000, -0.0008330800000000 ] - [ -0.0017448100000000, -0.0029923800000000, -0.0005063000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0114849900000000, -0.0160140200000000, -0.0207426000000000 ] - [ 0.0012915300000000, 0.0014407100000000, 0.0010060700000000 ] - [ -0.0009087900000000, -0.0012272300000000, 0.0004144300000000 ] - [ 0.0002564100000000, 0.0000628100000000, 0.0005667500000000 ] - [ 0.0008418100000000, 0.0020517000000000, 0.0008626400000000 ] - [ 0.0058204300000000, 0.0044770000000000, 0.0064106800000000 ] - [ 0.0001898800000000, -0.0005643400000000, 0.0000993700000000 ] - [ -0.0014892100000000, -0.0014003800000000, -0.0002703100000000 ] - [ 0.0007020500000000, 0.0009206200000000, 0.0003183500000000 ] - [ -0.0007576500000000, 0.0016824600000000, -0.0000884000000000 ] - [ -0.0001651600000000, -0.0000067300000000, 0.0001284200000000 ] - [ -0.0005368100000000, -0.0010945400000000, -0.0008248400000000 ] - [ 0.0223451800000000, -0.0072097900000000, 0.0031180400000000 ] - [ -0.0001147700000000, 0.0004662700000000, 0.0003885400000000 ] - [ -0.0000576100000000, -0.0018141000000000, 0.0012591000000000 ] - [ 0.0016298100000000, -0.0025164800000000, 0.0014791600000000 ] - [ 0.0003950700000000, -0.0000724900000000, 0.0001163600000000 ] - [ -0.0062150100000000, 0.0033176200000000, -0.0052134400000000 ] - [ 0.0006320100000000, -0.0011670500000000, 0.0007679300000000 ] - [ 0.0001947000000000, -0.0021990700000000, 0.0018083100000000 ] - [ -0.0018977400000000, 0.0023740300000000, -0.0010690000000000 ] - [ 0.0007681800000000, 0.0002362400000000, 0.0009974100000000 ] - [ 0.0005744200000000, -0.0021099900000000, 0.0006204600000000 ] - [ 0.0001999800000000, -0.0011496500000000, 0.0005218400000000 ] - [ -0.0002363300000000, 0.0031607800000000, 0.0025125900000000 ] - [ 0.0035675800000000, 0.0015685300000000, 0.0054890700000000 ] - [ 0.0002178300000000, -0.0018287700000000, -0.0009867200000000 ] - [ -0.0011512600000000, -0.0005174700000000, 0.0000758000000000 ] - [ 0.0024902300000000, -0.0180382900000000, -0.0314966000000000 ] - [ 0.0008017000000000, 0.0013541900000000, 0.0008221200000000 ] - [ -0.0015009900000000, -0.0014569200000000, 0.0004930200000000 ] - [ 0.0006026200000000, 0.0002170500000000, 0.0007509000000000 ] - [ 0.0009646100000000, 0.0011527300000000, 0.0006352100000000 ] - [ -0.0016714300000000, 0.0007976300000000, -0.0006438600000000 ] - [ -0.0000318300000000, 0.0001107400000000, 0.0001834800000000 ] - [ -0.0006580000000000, -0.0008671900000000, -0.0004605300000000 ] - [ 0.0237555200000000, -0.0307405900000000, 0.0048432800000000 ] - [ 0.0002051900000000, 0.0000368600000000, 0.0006103400000000 ] - [ -0.0001581900000000, -0.0029853000000000, 0.0019073900000000 ] - [ 0.0014636500000000, -0.0017563200000000, 0.0012020000000000 ] - [ -0.0008486600000000, 0.0004964300000000, -0.0004343800000000 ] - [ 0.0011906600000000, -0.0004450900000000, 0.0014179700000000 ] - [ 0.0013461600000000, -0.0026624800000000, 0.0005868800000000 ] - [ -0.0002705500000000, -0.0009482100000000, 0.0003450200000000 ] - [ 0.0008200100000000, -0.0003450900000000, 0.0001265500000000 ] - [ -0.0043663300000000, 0.0006105500000000, -0.0033887400000000 ] - [ 0.0005092800000000, -0.0010661300000000, 0.0007371400000000 ] - [ 0.0002519100000000, -0.0018559500000000, 0.0014624600000000 ] - [ -0.0890351600000000, 0.2492970100000000, 0.1450447800000000 ] - [ 0.0005359700000000, 0.0011044400000000, -0.0003096700000000 ] - [ 0.0005068900000000, -0.0016258100000000, -0.0009036900000000 ] - [ 0.0009597400000000, -0.0007411100000000, -0.0006622700000000 ] - [ 0.0001553200000000, 0.0018245600000000, -0.0001203600000000 ] - [ -0.0016815700000000, 0.0033495100000000, 0.0013532100000000 ] - [ 0.0007387700000000, -0.0010322800000000, -0.0008394300000000 ] - [ 0.0004973400000000, -0.0008947200000000, -0.0009398200000000 ] - [ 0.0013386500000000, 0.0018378900000000, -0.0018593900000000 ] - [ -0.0013324800000000, 0.0033529800000000, 0.0011518900000000 ] - [ 0.0008198000000000, -0.0010351400000000, -0.0011952700000000 ] - [ 0.0003341500000000, -0.0008932400000000, -0.0008909400000000 ] - [ 0.0002503300000000, -0.0003590000000000, -0.0002877600000000 ] - [ -0.0008199900000000, -0.0045610300000000, 0.0034130400000000 ] - [ 0.0012023300000000, -0.0001376500000000, -0.0012803500000000 ] - [ -0.0030301100000000, -0.0042980600000000, 0.0010591100000000 ] - [ -0.0048856100000000, -0.0045529900000000, 0.0010403000000000 ] - [ 0.0016278500000000, -0.0003622300000000, -0.0012505000000000 ] - [ -0.0005538700000000, -0.0042969000000000, 0.0055603400000000 ] - [ 0.0002553200000000, -0.0001325100000000, -0.0001777000000000 ] - [ 0.0012847800000000, -0.0002384000000000, -0.0015651100000000 ] - [ -0.0001801400000000, -0.0002341900000000, -0.0004920400000000 ] - [ -0.0004041200000000, -0.0005668200000000, -0.0000731100000000 ] - [ 0.0007262400000000, -0.0005713100000000, -0.0009476000000000 ] - [ 0.0071381900000000, -0.0034004600000000, -0.0014122100000000 ] - [ -0.0011998500000000, 0.0008961900000000, 0.0008827800000000 ] - [ -0.0009229400000000, 0.0008910200000000, 0.0009237900000000 ] - [ 0.0025672100000000, -0.0034090700000000, -0.0012322700000000 ] - [ -0.0013897100000000, 0.0010194400000000, 0.0011839700000000 ] - [ 0.0008073700000000, -0.0000583300000000, -0.0007266100000000 ] - [ -0.0010549200000000, -0.0041859700000000, -0.0052282500000000 ] - [ 0.0005669100000000, 0.0001970800000000, -0.0007084900000000 ] - [ 0.0005165000000000, 0.0001986900000000, -0.0005557600000000 ] - [ 0.0014245800000000, -0.0042044100000000, -0.0043883000000000 ] - [ 0.0008924200000000, -0.0000585900000000, -0.0008001800000000 ] - [ -0.0010541100000000, 0.0010161700000000, 0.0007436100000000 ] - [ 0.0090267300000000, 0.0049070400000000, -0.0144556100000000 ] - [ 0.0011593600000000, 0.0014659600000000, -0.0006471600000000 ] - [ -0.0010624100000000, -0.0026977700000000, 0.0010397700000000 ] - [ -0.0000974200000000, -0.0014887300000000, 0.0001064100000000 ] - [ -0.0057120800000000, 0.0049601200000000, 0.0060068800000000 ] - [ 0.0018287500000000, 0.0014663100000000, -0.0009125400000000 ] - [ -0.0007229300000000, -0.0026992000000000, 0.0008045300000000 ] - [ -0.0003208800000000, -0.0014873000000000, 0.0002704300000000 ] - [ 0.0012386800000000, 0.0007608700000000, -0.0014242300000000 ] - [ 0.0000082200000000, 0.0021076700000000, -0.0020441400000000 ] - [ 0.0002873900000000, -0.0008831800000000, -0.0003701900000000 ] - [ -0.0008105800000000, -0.0022850700000000, 0.0007050000000000 ] - [ -0.0018769400000000, -0.0010471900000000, 0.0001465800000000 ] - [ 0.0072975000000000, 0.0115378900000000, 0.0066107400000000 ] - [ -0.0011752100000000, 0.0007804800000000, -0.0001417700000000 ] - [ 0.0011964500000000, 0.0040409700000000, -0.0030536000000000 ] - [ -0.0249838400000000, 0.0012752800000000, -0.0206687500000000 ] - [ 0.0004841100000000, -0.0018991200000000, -0.0017646500000000 ] - [ 0.0028507800000000, 0.0055293500000000, -0.0028429100000000 ] - [ -0.0039545400000000, 0.0025777700000000, 0.0013833300000000 ] - [ 0.0022558400000000, -0.0006800800000000, -0.0005683700000000 ] - [ -0.0013658300000000, -0.0000140600000000, 0.0003934400000000 ] - [ -0.0033939500000000, 0.0037884400000000, 0.0040259500000000 ] - [ -0.0001511000000000, 0.0007505300000000, 0.0001407900000000 ] - [ 0.0002968300000000, -0.0018161600000000, -0.0013087700000000 ] - [ -0.0058260600000000, 0.0139943500000000, -0.0124214400000000 ] - [ -0.0031651100000000, 0.0054642700000000, 0.0025497600000000 ] - [ 0.0036206200000000, 0.0018292100000000, -0.0024968700000000 ] - [ 0.0240932200000000, 0.0031497000000000, 0.0143839700000000 ] - [ -0.0021559400000000, -0.0008719300000000, 0.0006772600000000 ] - [ 0.0041051300000000, 0.0029878100000000, -0.0045154600000000 ] - [ -0.0009822700000000, 0.0006368300000000, -0.0002124900000000 ] - [ -0.0022279000000000, -0.0002992300000000, 0.0005043500000000 ] - [ 0.0016588000000000, -0.0022463200000000, 0.0000289500000000 ] - [ 0.0001159300000000, 0.0006453200000000, -0.0000262000000000 ] - [ -0.0005075500000000, 0.0031344200000000, 0.0020071100000000 ] - [ -0.0007535400000000, -0.0139957600000000, 0.0037090700000000 ] - [ -0.0009284300000000, -0.0055791200000000, -0.0035585100000000 ] - [ -0.0003714000000000, 0.0042173500000000, 0.0003574200000000 ] - [ -0.0002536500000000, 0.0024127400000000, 0.0004240200000000 ] - [ 0.0273926400000000, -0.0519757600000000, -0.0219477000000000 ] - [ -0.0008764000000000, -0.0021156600000000, 0.0004272400000000 ] - [ 0.0002163700000000, 0.0045537300000000, -0.0002144800000000 ] - [ -0.0021881500000000, 0.0019841300000000, -0.0012777000000000 ] - [ -0.0014236400000000, -0.0016185700000000, 0.0009181800000000 ] - [ 0.0057906700000000, -0.0036604900000000, 0.0026720200000000 ] - [ -0.0011342400000000, 0.0013766500000000, 0.0002799500000000 ] - [ -0.0007807000000000, 0.0033236800000000, -0.0007180800000000 ] - [ 0.0219974100000000, -0.1419764100000000, -0.0655404200000000 ] - [ -0.0022554900000000, -0.0019249400000000, -0.0002352200000000 ] - [ 0.0009243100000000, 0.0042235300000000, -0.0013353200000000 ] - [ -0.0006582800000000, 0.0021005000000000, -0.0008564100000000 ] - [ -0.0010492400000000, -0.0025700600000000, 0.0016710600000000 ] - [ -0.0039808300000000, -0.0040883600000000, -0.0034755600000000 ] - [ 0.0000321900000000, 0.0035524800000000, -0.0011975300000000 ] - [ 0.0014879800000000, 0.0018093200000000, 0.0005986400000000 ] - [ -0.0020992200000000, -0.0004251400000000, 0.0016854300000000 ] - [ 0.0017015000000000, -0.0065371200000000, 0.0026149400000000 ] - [ -0.0004304500000000, 0.0013233800000000, 0.0002228000000000 ] - [ 0.0014996500000000, 0.0026046200000000, -0.0001093900000000 ]- atom: 49 displacement: [ -0.0065710994853938, 0.0000000000000000, 0.0075379474363422 ] forces: - [ 0.0146007100000000, 0.0164006400000000, 0.0118294200000000 ] - [ -0.0019830900000000, -0.0000133800000000, -0.0002913900000000 ] - [ 0.0011446600000000, 0.0016473100000000, 0.0005096800000000 ] - [ -0.0008068400000000, 0.0003914100000000, 0.0002255400000000 ] - [ -0.0050148100000000, -0.0034505200000000, -0.0013723400000000 ] - [ -0.0035957300000000, -0.0013139000000000, -0.0037953200000000 ] - [ -0.0002317900000000, 0.0015743100000000, 0.0010715500000000 ] - [ 0.0010199100000000, 0.0015294500000000, 0.0006411500000000 ] - [ -0.0003361300000000, 0.0013116200000000, 0.0021337800000000 ] - [ 0.0021496500000000, 0.0002417300000000, 0.0024446400000000 ] - [ -0.0001296100000000, 0.0005662200000000, 0.0009252800000000 ] - [ 0.0007826300000000, 0.0020006100000000, 0.0019676400000000 ] - [ -0.0220070400000000, 0.0152353300000000, -0.0088293700000000 ] - [ -0.0025070800000000, -0.0007049900000000, -0.0012202900000000 ] - [ 0.0003111000000000, 0.0001974300000000, -0.0003431400000000 ] - [ -0.0012330100000000, 0.0007373100000000, -0.0002524500000000 ] - [ -0.0016362200000000, -0.0002762700000000, 0.0008236200000000 ] - [ 0.0065527700000000, -0.0035706800000000, 0.0058707500000000 ] - [ -0.0006368700000000, -0.0002166300000000, 0.0005793200000000 ] - [ 0.0004806900000000, 0.0001532000000000, -0.0000860600000000 ] - [ 0.0037813400000000, -0.0062196500000000, 0.0069863300000000 ] - [ -0.0009630700000000, -0.0010841700000000, 0.0000909300000000 ] - [ -0.0002438400000000, 0.0004995000000000, 0.0005532400000000 ] - [ -0.0001077700000000, -0.0003052500000000, 0.0008494200000000 ] - [ -0.0052460900000000, -0.0050222400000000, -0.0007387000000000 ] - [ -0.0035922300000000, -0.0001534900000000, -0.0048496300000000 ] - [ -0.0002004600000000, 0.0021655100000000, 0.0013506400000000 ] - [ 0.0010526400000000, 0.0011780500000000, 0.0006572900000000 ] - [ 0.0019604900000000, 0.0203829300000000, 0.0235638300000000 ] - [ -0.0017436600000000, -0.0003807200000000, -0.0004948200000000 ] - [ 0.0012775800000000, 0.0014926500000000, 0.0001753700000000 ] - [ -0.0007697500000000, 0.0005977400000000, 0.0003460000000000 ] - [ -0.0010798400000000, 0.0007015100000000, 0.0014403800000000 ] - [ 0.0031195100000000, 0.0007338400000000, 0.0031142200000000 ] - [ -0.0002884800000000, 0.0005864300000000, 0.0009965900000000 ] - [ 0.0009323200000000, 0.0017486500000000, 0.0015284100000000 ] - [ -0.0058671200000000, 0.0165191700000000, -0.0069151300000000 ] - [ -0.0013761000000000, -0.0007040100000000, -0.0007456900000000 ] - [ 0.0007275900000000, 0.0003025200000000, -0.0006293500000000 ] - [ -0.0018019500000000, 0.0006548100000000, -0.0002631500000000 ] - [ 0.0014456400000000, -0.0047248500000000, 0.0052025300000000 ] - [ -0.0007511500000000, -0.0003930900000000, 0.0000586500000000 ] - [ -0.0009612200000000, 0.0013133500000000, 0.0007196100000000 ] - [ 0.0003278400000000, -0.0006257900000000, 0.0009808800000000 ] - [ -0.0021221500000000, 0.0003466000000000, 0.0008694800000000 ] - [ 0.0040362600000000, -0.0017809500000000, 0.0043849700000000 ] - [ -0.0005962500000000, -0.0007161100000000, 0.0008327300000000 ] - [ 0.0006113400000000, 0.0000779900000000, 0.0001377900000000 ] - [ 0.2406360200000000, -0.1655961900000000, -0.2401774600000000 ] - [ -0.0015207000000000, 0.0007975100000000, 0.0001375100000000 ] - [ 0.0002993600000000, 0.0012331300000000, -0.0002771300000000 ] - [ -0.0007490500000000, 0.0013438400000000, 0.0000409800000000 ] - [ -0.0050945100000000, 0.0024918300000000, 0.0047336700000000 ] - [ 0.0017940900000000, -0.0015298800000000, -0.0013401700000000 ] - [ -0.0005687100000000, 0.0016519400000000, 0.0003612900000000 ] - [ 0.0000242400000000, 0.0011092200000000, 0.0001148400000000 ] - [ -0.0042698100000000, 0.0003795100000000, 0.0053858300000000 ] - [ 0.0016297800000000, -0.0019129800000000, -0.0014804000000000 ] - [ -0.0004763300000000, 0.0013360800000000, 0.0004488400000000 ] - [ 0.0001225700000000, 0.0012509000000000, 0.0001971300000000 ] - [ -0.0022521900000000, -0.0022193400000000, 0.0005747000000000 ] - [ 0.0029941200000000, 0.0037749900000000, -0.0047891000000000 ] - [ -0.0008718500000000, -0.0005159600000000, 0.0002164500000000 ] - [ 0.0038989800000000, 0.0043315600000000, -0.0018838400000000 ] - [ 0.0055069000000000, 0.0028862500000000, -0.0026101100000000 ] - [ -0.0018840800000000, -0.0005907600000000, 0.0008962900000000 ] - [ 0.0007663500000000, 0.0025758300000000, -0.0046190700000000 ] - [ -0.0009828200000000, -0.0019710600000000, 0.0001141900000000 ] - [ -0.0008788100000000, -0.0004599100000000, 0.0009732200000000 ] - [ -0.0002616500000000, -0.0022360200000000, 0.0015047400000000 ] - [ 0.0004156700000000, -0.0014062900000000, 0.0008930400000000 ] - [ -0.0002244900000000, -0.0000039400000000, 0.0003416800000000 ] - [ -0.0030527200000000, 0.0028365100000000, 0.0004684000000000 ] - [ 0.0013283000000000, -0.0010944500000000, -0.0021840600000000 ] - [ 0.0009191800000000, -0.0012261900000000, -0.0025257700000000 ] - [ -0.0029645500000000, 0.0059478700000000, 0.0005201900000000 ] - [ 0.0022537300000000, -0.0010407200000000, -0.0014870600000000 ] - [ -0.0011023100000000, 0.0014008300000000, 0.0008682400000000 ] - [ 0.0016801700000000, 0.0044630400000000, 0.0044050800000000 ] - [ -0.0009324300000000, 0.0009714200000000, 0.0005978000000000 ] - [ -0.0010445000000000, 0.0011157800000000, 0.0004998300000000 ] - [ -0.0003498800000000, 0.0034858500000000, 0.0026592000000000 ] - [ -0.0011025800000000, 0.0012897600000000, 0.0008668100000000 ] - [ 0.0023301500000000, -0.0015749900000000, -0.0014020200000000 ] - [ -0.0280286700000000, 0.0080474700000000, 0.0389835500000000 ] - [ -0.0012641700000000, -0.0020984800000000, 0.0000535300000000 ] - [ 0.0009545300000000, 0.0008674100000000, -0.0010729500000000 ] - [ 0.0000417400000000, 0.0002016500000000, -0.0004729600000000 ] - [ -0.0363148000000000, -0.0170697300000000, 0.0332786600000000 ] - [ -0.0014194800000000, -0.0014692200000000, -0.0000722600000000 ] - [ 0.0008118400000000, 0.0012682300000000, -0.0011981000000000 ] - [ 0.0001098600000000, -0.0000691400000000, -0.0004134000000000 ] - [ -0.0026959700000000, -0.0020931800000000, 0.0026793800000000 ] - [ 0.0011737600000000, -0.0017668600000000, 0.0009963400000000 ] - [ -0.0005123700000000, -0.0006796000000000, 0.0003214100000000 ] - [ 0.0009939300000000, 0.0008501300000000, -0.0008727200000000 ] - [ 0.0033436100000000, 0.0004050400000000, 0.0000475800000000 ] - [ -0.0060487400000000, -0.0075360200000000, -0.0080174200000000 ] - [ 0.0021186700000000, 0.0014369600000000, -0.0016297900000000 ] - [ -0.0031703900000000, -0.0018426000000000, 0.0023405700000000 ] - [ 0.0139037100000000, -0.0030094900000000, 0.0114078400000000 ] - [ 0.0013490900000000, 0.0054065600000000, 0.0036734400000000 ] - [ -0.0031377400000000, -0.0023703500000000, 0.0034457000000000 ] - [ 0.0045826400000000, -0.0022383200000000, -0.0023884300000000 ] - [ -0.0062130000000000, 0.0022423100000000, -0.0037585500000000 ] - [ 0.0009272700000000, -0.0009821100000000, -0.0020420700000000 ] - [ 0.0023290300000000, -0.0030936600000000, -0.0043665900000000 ] - [ 0.0005523700000000, 0.0008352200000000, -0.0016985200000000 ] - [ 0.0064790900000000, 0.0035359100000000, 0.0042752600000000 ] - [ 0.0031628800000000, -0.0170321800000000, 0.0162061000000000 ] - [ 0.0021247800000000, -0.0038736000000000, -0.0015297400000000 ] - [ -0.0041044000000000, -0.0009617200000000, 0.0029113500000000 ] - [ -0.0253539700000000, -0.0032244200000000, -0.0125314400000000 ] - [ 0.0032160300000000, -0.0003269400000000, -0.0009805200000000 ] - [ -0.0040179600000000, -0.0009969900000000, 0.0032886300000000 ] - [ 0.0018052000000000, -0.0006588600000000, -0.0011918100000000 ] - [ 0.0016966100000000, -0.0010024800000000, -0.0017538300000000 ] - [ -0.0040805600000000, 0.0058990400000000, -0.0044993800000000 ] - [ 0.0007092700000000, -0.0004857700000000, -0.0017554700000000 ] - [ -0.0003067200000000, -0.0031229300000000, -0.0022354200000000 ] - [ 0.0059950300000000, 0.0246168000000000, -0.0171736100000000 ] - [ 0.0011039500000000, 0.0056728600000000, 0.0031093100000000 ] - [ 0.0001102800000000, -0.0023555000000000, -0.0007728100000000 ] - [ -0.0002352600000000, -0.0011731600000000, -0.0009547200000000 ] - [ -0.1302738300000000, 0.0508548100000000, 0.0995677800000000 ] - [ 0.0035954400000000, 0.0012177300000000, 0.0006596500000000 ] - [ -0.0007836300000000, -0.0024488800000000, 0.0004964000000000 ] - [ 0.0017370300000000, -0.0006027000000000, 0.0004040700000000 ] - [ 0.0049692000000000, 0.0007811400000000, -0.0044049400000000 ] - [ -0.0066781300000000, 0.0016952800000000, -0.0037232000000000 ] - [ 0.0011202900000000, -0.0000494500000000, -0.0010872600000000 ] - [ -0.0005275700000000, -0.0019689500000000, -0.0003042900000000 ] - [ -0.0402175800000000, 0.0467522600000000, 0.0576893600000000 ] - [ 0.0034010100000000, -0.0001260000000000, 0.0001575800000000 ] - [ -0.0015282100000000, -0.0020381800000000, 0.0003616800000000 ] - [ 0.0012019100000000, -0.0020775200000000, 0.0006653400000000 ] - [ 0.0162190600000000, 0.0088501000000000, -0.0105297400000000 ] - [ 0.0026341400000000, 0.0023516000000000, 0.0022159000000000 ] - [ -0.0003129700000000, -0.0034275900000000, 0.0003539700000000 ] - [ -0.0009706900000000, -0.0009590300000000, -0.0008458300000000 ] - [ 0.0043287600000000, -0.0033246600000000, -0.0061383900000000 ] - [ -0.0037142400000000, 0.0043183100000000, -0.0031850700000000 ] - [ 0.0006544500000000, -0.0005920900000000, -0.0011732700000000 ] - [ -0.0020463900000000, -0.0018846500000000, -0.0008944500000000 ]- atom: 49 displacement: [ 0.0065710994853938, 0.0000000000000000, -0.0075379474363422 ] forces: - [ -0.0144499000000000, -0.0151216000000000, -0.0104805700000000 ] - [ 0.0020546700000000, 0.0011237600000000, 0.0013829000000000 ] - [ -0.0010588300000000, -0.0005246900000000, 0.0005864800000000 ] - [ 0.0008861400000000, 0.0007268700000000, 0.0008697300000000 ] - [ 0.0050149300000000, 0.0045156900000000, 0.0024381000000000 ] - [ 0.0036168300000000, 0.0024068300000000, 0.0048379200000000 ] - [ 0.0003123300000000, -0.0004540300000000, 0.0000243200000000 ] - [ -0.0009359700000000, -0.0004056800000000, 0.0004548300000000 ] - [ 0.0004037300000000, -0.0002060300000000, -0.0010453400000000 ] - [ -0.0020424200000000, 0.0008728200000000, -0.0013247700000000 ] - [ 0.0002098900000000, 0.0005527900000000, 0.0001719000000000 ] - [ -0.0006972300000000, -0.0008738500000000, -0.0008647400000000 ] - [ 0.0217982200000000, -0.0162175200000000, 0.0098054600000000 ] - [ 0.0025811200000000, -0.0004151100000000, 0.0023159700000000 ] - [ -0.0002267100000000, -0.0013071600000000, 0.0014308000000000 ] - [ 0.0012978600000000, -0.0018376400000000, 0.0013386300000000 ] - [ 0.0016989900000000, -0.0008291300000000, 0.0002663600000000 ] - [ -0.0064299500000000, 0.0024289000000000, -0.0047486000000000 ] - [ 0.0007116000000000, -0.0008972500000000, 0.0005145600000000 ] - [ -0.0003977400000000, -0.0012605800000000, 0.0011722800000000 ] - [ -0.0037065500000000, 0.0051051500000000, -0.0058963100000000 ] - [ 0.0010452400000000, -0.0000356800000000, 0.0010061500000000 ] - [ 0.0003177000000000, -0.0016011400000000, 0.0005413000000000 ] - [ 0.0001901000000000, -0.0008097000000000, 0.0002493900000000 ] - [ 0.0053359200000000, 0.0061458700000000, 0.0018319100000000 ] - [ 0.0036549900000000, 0.0012706400000000, 0.0059177200000000 ] - [ 0.0002760000000000, -0.0010324200000000, -0.0002436900000000 ] - [ -0.0009625800000000, -0.0000571200000000, 0.0004371400000000 ] - [ -0.0019608400000000, -0.0187441600000000, -0.0220086900000000 ] - [ 0.0018143300000000, 0.0014906200000000, 0.0015829000000000 ] - [ -0.0011840500000000, -0.0003690400000000, 0.0009151300000000 ] - [ 0.0008397400000000, 0.0005153200000000, 0.0007435200000000 ] - [ 0.0011581000000000, 0.0004221200000000, -0.0003334800000000 ] - [ -0.0030332400000000, 0.0003797800000000, -0.0020154600000000 ] - [ 0.0003668600000000, 0.0005258700000000, 0.0001000200000000 ] - [ -0.0008449000000000, -0.0006209800000000, -0.0004229900000000 ] - [ 0.0056873400000000, -0.0174673000000000, 0.0080012700000000 ] - [ 0.0014430400000000, -0.0004134100000000, 0.0018237600000000 ] - [ -0.0006470700000000, -0.0014098000000000, 0.0017156300000000 ] - [ 0.0018734900000000, -0.0017634500000000, 0.0013528100000000 ] - [ -0.0013486900000000, 0.0035399700000000, -0.0040353500000000 ] - [ 0.0008138400000000, -0.0007197300000000, 0.0010221500000000 ] - [ 0.0010346000000000, -0.0024169100000000, 0.0003724200000000 ] - [ -0.0002502300000000, -0.0004848900000000, 0.0001117400000000 ] - [ 0.0022002000000000, -0.0014688400000000, 0.0002298200000000 ] - [ -0.0039098700000000, 0.0006551300000000, -0.0032521400000000 ] - [ 0.0006720300000000, -0.0003950200000000, 0.0002609500000000 ] - [ -0.0005305900000000, -0.0011888000000000, 0.0009551700000000 ] - [ -0.2304710100000000, 0.1651932200000000, 0.2342744000000000 ] - [ 0.0016938900000000, 0.0001117900000000, -0.0006136000000000 ] - [ -0.0001180100000000, -0.0003172700000000, -0.0002005700000000 ] - [ 0.0009215300000000, -0.0004300800000000, -0.0005166600000000 ] - [ 0.0052119500000000, -0.0015468900000000, -0.0051502600000000 ] - [ -0.0016046200000000, 0.0024167000000000, 0.0008481700000000 ] - [ 0.0007470600000000, -0.0007391200000000, -0.0008380200000000 ] - [ 0.0001521400000000, -0.0001929400000000, -0.0005882100000000 ] - [ 0.0044607500000000, 0.0005352500000000, -0.0058709900000000 ] - [ -0.0014353900000000, 0.0028035000000000, 0.0009974900000000 ] - [ 0.0006466900000000, -0.0004169500000000, -0.0009173400000000 ] - [ 0.0000594900000000, -0.0003371400000000, -0.0006726900000000 ] - [ 0.0024300200000000, 0.0013108500000000, -0.0010502000000000 ] - [ -0.0027985700000000, -0.0046686000000000, 0.0042930100000000 ] - [ 0.0010383600000000, -0.0003985200000000, -0.0006811900000000 ] - [ -0.0036837200000000, -0.0052070100000000, 0.0013891400000000 ] - [ -0.0052862000000000, -0.0037753300000000, 0.0021131700000000 ] - [ 0.0020591200000000, -0.0003141700000000, -0.0013742800000000 ] - [ -0.0005741500000000, -0.0034520400000000, 0.0040950100000000 ] - [ 0.0011514600000000, 0.0010444100000000, -0.0005893800000000 ] - [ 0.0010535000000000, -0.0004420700000000, -0.0014447600000000 ] - [ 0.0004415600000000, 0.0013298900000000, -0.0019826900000000 ] - [ -0.0002293100000000, 0.0004881700000000, -0.0013597200000000 ] - [ 0.0003930500000000, -0.0009068800000000, -0.0008096900000000 ] - [ 0.0031649000000000, -0.0018924900000000, -0.0009351200000000 ] - [ -0.0011330000000000, 0.0019821900000000, 0.0016821500000000 ] - [ -0.0007362900000000, 0.0021342500000000, 0.0020439300000000 ] - [ 0.0031310700000000, -0.0050125800000000, -0.0009900400000000 ] - [ -0.0020467300000000, 0.0019315000000000, 0.0009932100000000 ] - [ 0.0012720600000000, -0.0004909500000000, -0.0013411900000000 ] - [ -0.0014873500000000, -0.0035150100000000, -0.0048476700000000 ] - [ 0.0011058200000000, -0.0000579300000000, -0.0010728200000000 ] - [ 0.0012207300000000, -0.0002092800000000, -0.0009731300000000 ] - [ 0.0005102900000000, -0.0025186400000000, -0.0030817400000000 ] - [ 0.0012782300000000, -0.0003753200000000, -0.0013378400000000 ] - [ -0.0021477300000000, 0.0024863200000000, 0.0009234500000000 ] - [ 0.0289064700000000, -0.0093636800000000, -0.0402481000000000 ] - [ 0.0014406000000000, 0.0011872400000000, -0.0005332300000000 ] - [ -0.0007691800000000, -0.0017631100000000, 0.0005888200000000 ] - [ 0.0001402800000000, -0.0011043700000000, -0.0000066600000000 ] - [ 0.0356268400000000, 0.0157164800000000, -0.0328741400000000 ] - [ 0.0015807800000000, 0.0005458900000000, -0.0003998600000000 ] - [ -0.0006256600000000, -0.0021636200000000, 0.0007124000000000 ] - [ 0.0000694200000000, -0.0008336700000000, -0.0000677900000000 ] - [ 0.0028588500000000, 0.0011728900000000, -0.0031411300000000 ] - [ -0.0009892400000000, 0.0008432100000000, -0.0014613400000000 ] - [ 0.0006881200000000, -0.0002270500000000, -0.0007970400000000 ] - [ -0.0008091900000000, -0.0017461100000000, 0.0003895700000000 ] - [ -0.0035930800000000, 0.0000150700000000, -0.0006761700000000 ] - [ 0.0056843800000000, 0.0078115000000000, 0.0073282000000000 ] - [ -0.0023684400000000, -0.0010388800000000, 0.0010081700000000 ] - [ 0.0029070000000000, 0.0022366400000000, -0.0029573900000000 ] - [ -0.0139559900000000, 0.0033892600000000, -0.0118559300000000 ] - [ -0.0015944900000000, -0.0049399900000000, -0.0042387500000000 ] - [ 0.0028735500000000, 0.0027572500000000, -0.0040485700000000 ] - [ -0.0048246000000000, 0.0026305700000000, 0.0017659700000000 ] - [ 0.0058762400000000, -0.0018177700000000, 0.0030993400000000 ] - [ -0.0011619800000000, 0.0013953300000000, 0.0014218500000000 ] - [ -0.0025732800000000, 0.0034699400000000, 0.0037285700000000 ] - [ -0.0008054500000000, -0.0004385300000000, 0.0010784200000000 ] - [ -0.0067325800000000, -0.0039305300000000, -0.0048970700000000 ] - [ -0.0034218600000000, 0.0165896100000000, -0.0167878300000000 ] - [ -0.0023514500000000, 0.0034247300000000, 0.0008854900000000 ] - [ 0.0038058200000000, 0.0005536900000000, -0.0034961500000000 ] - [ 0.0249084000000000, 0.0028126200000000, 0.0118548300000000 ] - [ -0.0034578800000000, -0.0000877700000000, 0.0003713600000000 ] - [ 0.0037145600000000, 0.0005842500000000, -0.0038637700000000 ] - [ -0.0020434000000000, 0.0002585800000000, 0.0005688300000000 ] - [ -0.0019582200000000, 0.0005947200000000, 0.0011206700000000 ] - [ 0.0038193400000000, -0.0062988900000000, 0.0038811700000000 ] - [ -0.0009638900000000, 0.0000881700000000, 0.0011270200000000 ] - [ 0.0000569800000000, 0.0026879700000000, 0.0015927300000000 ] - [ -0.0062492800000000, -0.0242689700000000, 0.0165432800000000 ] - [ -0.0013716800000000, -0.0052488900000000, -0.0037136200000000 ] - [ -0.0003626300000000, 0.0027313900000000, 0.0001487500000000 ] - [ -0.0000288400000000, 0.0015648600000000, 0.0003309500000000 ] - [ 0.1202881200000000, -0.0455558800000000, -0.0935816900000000 ] - [ -0.0038373500000000, -0.0007984400000000, -0.0012813000000000 ] - [ 0.0005181200000000, 0.0028297800000000, -0.0011086000000000 ] - [ -0.0019761100000000, 0.0009995000000000, -0.0010107200000000 ] - [ -0.0051821100000000, -0.0003889400000000, 0.0037561800000000 ] - [ 0.0063885600000000, -0.0012680100000000, 0.0030969700000000 ] - [ -0.0013727700000000, 0.0004535500000000, 0.0004672500000000 ] - [ 0.0002696100000000, 0.0023515700000000, -0.0003132800000000 ] - [ 0.0403951300000000, -0.0508415400000000, -0.0601602600000000 ] - [ -0.0036442800000000, -0.0002826600000000, -0.0007656600000000 ] - [ 0.0012615400000000, 0.0016169900000000, -0.0009738200000000 ] - [ -0.0014573700000000, 0.0016618700000000, -0.0012804000000000 ] - [ -0.0163088400000000, -0.0091796100000000, 0.0098163600000000 ] - [ -0.0028456800000000, -0.0027271000000000, -0.0027984200000000 ] - [ 0.0000514500000000, 0.0030076900000000, -0.0009636200000000 ] - [ 0.0007088700000000, 0.0005434700000000, 0.0002267200000000 ] - [ -0.0045720600000000, 0.0029344500000000, 0.0055182300000000 ] - [ 0.0034189600000000, -0.0046730500000000, 0.0025260300000000 ] - [ -0.0009073400000000, 0.0001769700000000, 0.0005495900000000 ] - [ 0.0017741600000000, 0.0014690200000000, 0.0002761900000000 ]- atom: 97 displacement: [ 0.0099999206929856, 0.0000000000000000, 0.0000398262978187 ] forces: - [ -0.0039703000000000, -0.0011143800000000, -0.0007814400000000 ] - [ 0.0731174800000000, 0.0765991100000000, 0.0630100500000000 ] - [ -0.0014828500000000, 0.0002739700000000, 0.0003892500000000 ] - [ 0.0019125000000000, 0.0015872700000000, 0.0006315300000000 ] - [ -0.0021876000000000, -0.0018573000000000, -0.0028711500000000 ] - [ -0.0002542200000000, 0.0018882900000000, 0.0014321600000000 ] - [ 0.0006393100000000, 0.0014602000000000, 0.0010067800000000 ] - [ -0.0002203400000000, 0.0004397900000000, 0.0007517700000000 ] - [ -0.0153977400000000, -0.0004675500000000, -0.0123605200000000 ] - [ -0.0044647000000000, -0.0021075600000000, 0.0014410200000000 ] - [ 0.0010472300000000, 0.0008798700000000, 0.0002647900000000 ] - [ -0.0003807100000000, 0.0020038600000000, 0.0015877600000000 ] - [ -0.0015066800000000, -0.0002581100000000, -0.0000774400000000 ] - [ 0.0035399900000000, -0.0026930900000000, 0.0014110300000000 ] - [ -0.0027053100000000, 0.0008708700000000, -0.0012675500000000 ] - [ 0.0018257100000000, -0.0049819000000000, 0.0053411000000000 ] - [ -0.0014796300000000, 0.0032669900000000, -0.0039459500000000 ] - [ -0.0010750900000000, -0.0005665000000000, 0.0006078700000000 ] - [ 0.0047351500000000, -0.0017611900000000, 0.0030201500000000 ] - [ -0.0018784500000000, -0.0002200600000000, 0.0006169800000000 ] - [ -0.0054171200000000, 0.0034190800000000, -0.0011649700000000 ] - [ 0.0019847800000000, -0.0045697300000000, 0.0039487700000000 ] - [ -0.0019652800000000, -0.0015244700000000, -0.0001779600000000 ] - [ -0.0106814600000000, 0.0167448600000000, -0.0031953400000000 ] - [ 0.0021739600000000, 0.0043046200000000, 0.0055502700000000 ] - [ -0.0019111500000000, -0.0015971400000000, -0.0004659100000000 ] - [ -0.0027556600000000, -0.0054379800000000, 0.0007702100000000 ] - [ -0.0055780300000000, 0.0009074100000000, -0.0031596500000000 ] - [ -0.0006156300000000, 0.0005587700000000, 0.0006984700000000 ] - [ -0.0001148800000000, -0.0000739700000000, -0.0015850000000000 ] - [ -0.0015162400000000, 0.0005099300000000, 0.0009131800000000 ] - [ 0.0024611900000000, 0.0004492500000000, 0.0009105300000000 ] - [ 0.0049233000000000, 0.0047582600000000, 0.0026588700000000 ] - [ -0.0019059000000000, 0.0002913600000000, -0.0006294200000000 ] - [ 0.0156178600000000, 0.0145493600000000, 0.0171264800000000 ] - [ -0.0032056000000000, -0.0008846200000000, -0.0007362800000000 ] - [ -0.0022969400000000, -0.0003000600000000, 0.0017687700000000 ] - [ -0.0078243000000000, 0.0021059700000000, -0.0088829800000000 ] - [ -0.0005399600000000, -0.0004023900000000, 0.0009139900000000 ] - [ 0.0004496000000000, -0.0000424800000000, -0.0002894900000000 ] - [ 0.0020214000000000, -0.0041231800000000, 0.0044439200000000 ] - [ -0.0033191500000000, -0.0000675400000000, -0.0039085500000000 ] - [ -0.0002065700000000, 0.0004252800000000, 0.0005720300000000 ] - [ -0.0002394400000000, -0.0002366300000000, 0.0002777700000000 ] - [ 0.2236015200000000, -0.0471994200000000, 0.1278010800000000 ] - [ -0.0044261400000000, -0.0000764500000000, -0.0009128500000000 ] - [ 0.0014453100000000, -0.0004504500000000, 0.0004345200000000 ] - [ -0.0018512600000000, 0.0007755300000000, -0.0000635500000000 ] - [ -0.0026643400000000, 0.0021868600000000, 0.0019562100000000 ] - [ 0.0009896500000000, -0.0069436000000000, -0.0072540400000000 ] - [ -0.0018454600000000, 0.0014935200000000, 0.0010448300000000 ] - [ 0.0028346100000000, -0.0008580700000000, -0.0018747200000000 ] - [ 0.0042472900000000, -0.0018945500000000, -0.0046545800000000 ] - [ -0.0010685900000000, 0.0016825000000000, 0.0001339400000000 ] - [ -0.0004421000000000, 0.0037020400000000, 0.0025310100000000 ] - [ -0.0006628300000000, 0.0004715400000000, 0.0000043500000000 ] - [ -0.0143278000000000, 0.0252908700000000, 0.0057272400000000 ] - [ -0.0014140100000000, -0.0001607300000000, 0.0004198800000000 ] - [ 0.0017210600000000, -0.0025103900000000, -0.0027830600000000 ] - [ -0.0047728500000000, 0.0042572000000000, 0.0017517600000000 ] - [ 0.0019580600000000, 0.0005881700000000, -0.0004556700000000 ] - [ -0.0014018900000000, -0.0009824300000000, 0.0002284700000000 ] - [ 0.0429056900000000, 0.0204956000000000, -0.0163672800000000 ] - [ -0.0035168100000000, -0.0025670000000000, 0.0012898900000000 ] - [ -0.0004531100000000, -0.0007521900000000, 0.0003217500000000 ] - [ 0.0009884100000000, 0.0011684200000000, -0.0019936000000000 ] - [ -0.0029943800000000, -0.0024010900000000, 0.0029493100000000 ] - [ 0.0019024600000000, 0.0013672100000000, -0.0034088700000000 ] - [ 0.0011032800000000, -0.0003006600000000, 0.0004055400000000 ] - [ 0.0000938400000000, 0.0011612500000000, -0.0013472600000000 ] - [ -0.0100580400000000, -0.0012959900000000, 0.0123429000000000 ] - [ -0.0040025800000000, -0.0043043600000000, -0.0001549200000000 ] - [ -0.0031543000000000, 0.0010814600000000, 0.0050225200000000 ] - [ -0.0025932000000000, 0.0012580200000000, -0.0009293500000000 ] - [ 0.0006712900000000, 0.0006903500000000, 0.0005784700000000 ] - [ -0.0001408900000000, 0.0005773700000000, -0.0005835000000000 ] - [ -0.0030986300000000, 0.0017290000000000, 0.0036891200000000 ] - [ 0.0032025600000000, -0.0054529600000000, -0.0062063200000000 ] - [ -0.0007624800000000, 0.0014524600000000, 0.0006680300000000 ] - [ 0.0000109500000000, 0.0011067200000000, -0.0008351500000000 ] - [ 0.1302740500000000, -0.0292401800000000, -0.0576570600000000 ] - [ -0.0038297700000000, 0.0011926000000000, 0.0012812500000000 ] - [ 0.0015040700000000, 0.0001105800000000, 0.0001311200000000 ] - [ -0.0017808000000000, 0.0025039700000000, 0.0005961000000000 ] - [ -0.0054179700000000, -0.0000303400000000, 0.0037306100000000 ] - [ -0.0036091300000000, -0.0061857300000000, 0.0009679300000000 ] - [ -0.0019846000000000, -0.0034665800000000, 0.0009173400000000 ] - [ 0.0014353600000000, 0.0032698600000000, -0.0043042100000000 ] - [ -0.0013113900000000, -0.0025466300000000, 0.0009523600000000 ] - [ 0.0025606200000000, 0.0013265600000000, -0.0033383600000000 ] - [ -0.0006723000000000, -0.0002056000000000, 0.0001980400000000 ] - [ 0.0008365200000000, -0.0008313900000000, 0.0001687000000000 ] - [ 0.0124346700000000, 0.0237292400000000, -0.0228286800000000 ] - [ -0.0031278700000000, -0.0024680300000000, 0.0013834000000000 ] - [ 0.0038239200000000, 0.0037420500000000, -0.0020968200000000 ] - [ -0.0015198200000000, -0.0012979400000000, 0.0009084700000000 ] - [ -0.5504784700000001, -0.0159242900000000, -0.1211735900000000 ] - [ 0.0083523400000000, 0.0021208400000000, -0.0003158100000000 ] - [ -0.0026389900000000, -0.0017024000000000, -0.0005971500000000 ] - [ 0.0035289500000000, 0.0000218400000000, -0.0005038900000000 ] - [ 0.0051557700000000, -0.0004321700000000, -0.0069983800000000 ] - [ 0.0067547500000000, -0.0019766200000000, 0.0078329000000000 ] - [ 0.0003925300000000, 0.0003335200000000, -0.0010774000000000 ] - [ -0.0003979000000000, -0.0013737000000000, 0.0007182400000000 ] - [ 0.0051635700000000, 0.0090499800000000, -0.0134827200000000 ] - [ 0.0067295100000000, 0.0129205600000000, 0.0139766200000000 ] - [ 0.0003895400000000, -0.0017613600000000, -0.0012121300000000 ] - [ -0.0003937300000000, -0.0015379000000000, 0.0004268000000000 ] - [ -0.0068687600000000, -0.0002543800000000, -0.0046454100000000 ] - [ 0.0032277000000000, 0.0001939400000000, 0.0011134700000000 ] - [ 0.0145622900000000, 0.0233419800000000, -0.0224688400000000 ] - [ 0.0075818100000000, -0.0004424600000000, 0.0018168300000000 ] - [ 0.0009414700000000, -0.0010295200000000, -0.0010999200000000 ] - [ 0.0007966600000000, -0.0026675300000000, 0.0037050200000000 ] - [ 0.0046489000000000, -0.0016963800000000, -0.0042506800000000 ] - [ -0.0064849300000000, 0.0054679900000000, 0.0032644000000000 ] - [ -0.0068752200000000, 0.0020599100000000, -0.0057710600000000 ] - [ 0.0032204100000000, -0.0053909700000000, 0.0027753100000000 ] - [ 0.0145899600000000, -0.0624405000000000, -0.0465571700000000 ] - [ 0.0075819600000000, 0.0016513500000000, -0.0011719000000000 ] - [ 0.0137377300000000, -0.0101829300000000, -0.0111108300000000 ] - [ 0.0027869600000000, 0.0085995000000000, -0.0037796300000000 ] - [ 0.0027664000000000, 0.0086454200000000, 0.0032885900000000 ] - [ 0.0136818000000000, -0.0068421500000000, 0.0087803500000000 ] - [ 0.0031195400000000, 0.0002756300000000, -0.0015563000000000 ] - [ -0.0070006900000000, 0.0040164500000000, 0.0064562600000000 ] - [ 0.0034254600000000, -0.0005156400000000, -0.0006399000000000 ] - [ -0.0069613300000000, 0.0015518200000000, -0.0028189100000000 ] - [ -0.0069605700000000, -0.0127077100000000, 0.0087870800000000 ] - [ 0.0034271900000000, 0.0020622000000000, -0.0014178000000000 ] - [ -0.0069906600000000, -0.0077706700000000, -0.0053294200000000 ] - [ 0.0031168100000000, 0.0023302100000000, 0.0001761000000000 ] - [ 0.0083689900000000, -0.0001433100000000, -0.0037318900000000 ] - [ 0.0348518700000000, 0.0238319700000000, 0.0316509800000000 ] - [ 0.0031178900000000, -0.0001960900000000, -0.0020995100000000 ] - [ -0.0047866100000000, -0.0013875200000000, 0.0030627200000000 ] - [ -0.0009227600000000, 0.0076209800000000, 0.0007756900000000 ] - [ -0.0009234600000000, -0.0052458900000000, 0.0030034600000000 ] - [ 0.0001395200000000, -0.0026585600000000, -0.0016356300000000 ] - [ 0.0001433100000000, -0.0002767100000000, -0.0007245400000000 ] - [ 0.0346799800000000, -0.0542701700000000, 0.0466398100000000 ] - [ 0.0083713400000000, 0.0012877600000000, 0.0003503600000000 ] - [ -0.0047802200000000, 0.0008787800000000, 0.0033565900000000 ] - [ 0.0031190100000000, -0.0044298200000000, -0.0028393600000000 ]- atom: 97 displacement: [ -0.0099999206929856, 0.0000000000000000, -0.0000398262978187 ] forces: - [ 0.0040517100000000, 0.0022321000000000, 0.0018716200000000 ] - [ -0.0739639800000000, -0.0745096200000000, -0.0613914200000000 ] - [ 0.0015588600000000, 0.0008403400000000, 0.0007024500000000 ] - [ -0.0018310900000000, -0.0004786900000000, 0.0004571600000000 ] - [ 0.0022740400000000, 0.0029783600000000, 0.0039709600000000 ] - [ 0.0003268500000000, -0.0007693700000000, -0.0003362700000000 ] - [ -0.0005567000000000, -0.0003427500000000, 0.0000895400000000 ] - [ 0.0002936200000000, 0.0006694700000000, 0.0003417700000000 ] - [ 0.0153892000000000, 0.0016158300000000, 0.0134565800000000 ] - [ 0.0045373100000000, 0.0032305200000000, -0.0003292600000000 ] - [ -0.0009678200000000, 0.0002340300000000, 0.0008288800000000 ] - [ 0.0004595800000000, -0.0008861900000000, -0.0004916400000000 ] - [ 0.0015872000000000, -0.0008590000000000, 0.0011707300000000 ] - [ -0.0034758000000000, 0.0015826900000000, -0.0003250000000000 ] - [ 0.0027770700000000, -0.0019834900000000, 0.0023527300000000 ] - [ -0.0017638100000000, 0.0037862600000000, -0.0041477500000000 ] - [ 0.0015622900000000, -0.0043910700000000, 0.0050491900000000 ] - [ 0.0011534100000000, -0.0005499400000000, 0.0004883000000000 ] - [ -0.0046469900000000, 0.0006408600000000, -0.0019161800000000 ] - [ 0.0019562200000000, -0.0008956400000000, 0.0004784700000000 ] - [ 0.0055014100000000, -0.0045478600000000, 0.0022658500000000 ] - [ -0.0019000200000000, 0.0034474200000000, -0.0028561400000000 ] - [ 0.0020392100000000, 0.0004155700000000, 0.0012652000000000 ] - [ 0.0107555800000000, -0.0178726300000000, 0.0043003300000000 ] - [ -0.0021038500000000, -0.0031996700000000, -0.0044628100000000 ] - [ 0.0019910000000000, 0.0027101200000000, 0.0015578300000000 ] - [ 0.0027609300000000, 0.0065609300000000, 0.0002983800000000 ] - [ 0.0056365300000000, 0.0002240400000000, 0.0042415500000000 ] - [ 0.0006935500000000, 0.0005551100000000, 0.0003940500000000 ] - [ 0.0001932400000000, 0.0011967400000000, 0.0026876000000000 ] - [ 0.0015914900000000, 0.0006048100000000, 0.0001778400000000 ] - [ -0.0023624900000000, 0.0006715000000000, 0.0002038800000000 ] - [ -0.0048436900000000, -0.0036370500000000, -0.0015647300000000 ] - [ 0.0019856600000000, 0.0008228200000000, 0.0017267800000000 ] - [ -0.0155185900000000, -0.0133556700000000, -0.0159676900000000 ] - [ 0.0032865000000000, 0.0020049900000000, 0.0018354000000000 ] - [ 0.0023652700000000, -0.0008055200000000, -0.0006901400000000 ] - [ 0.0079663300000000, -0.0032688100000000, 0.0100106900000000 ] - [ 0.0006157900000000, -0.0007140100000000, 0.0001779400000000 ] - [ -0.0003654300000000, -0.0010768800000000, 0.0013840400000000 ] - [ -0.0019415600000000, 0.0030113100000000, -0.0033485600000000 ] - [ 0.0033965800000000, -0.0010514200000000, 0.0050045800000000 ] - [ 0.0002858600000000, -0.0015409000000000, 0.0005226400000000 ] - [ 0.0003191700000000, -0.0008827200000000, 0.0008213700000000 ] - [ -0.2340926200000000, 0.0490924700000000, -0.1360386900000000 ] - [ 0.0044969600000000, -0.0010414100000000, 0.0020076100000000 ] - [ -0.0013670300000000, -0.0006671300000000, 0.0006575600000000 ] - [ 0.0019285700000000, -0.0018912700000000, 0.0011572300000000 ] - [ 0.0028514200000000, -0.0012813100000000, -0.0024420400000000 ] - [ -0.0007802000000000, 0.0079285200000000, 0.0068485600000000 ] - [ 0.0020229100000000, -0.0005835300000000, -0.0015217200000000 ] - [ -0.0026367600000000, 0.0017525300000000, 0.0013905200000000 ] - [ -0.0040620000000000, 0.0028044500000000, 0.0041757000000000 ] - [ 0.0012433100000000, -0.0007699000000000, -0.0006054100000000 ] - [ 0.0006234700000000, -0.0027848600000000, -0.0029998000000000 ] - [ 0.0008380900000000, 0.0004396800000000, -0.0004749300000000 ] - [ 0.0145499800000000, -0.0243902000000000, -0.0061833300000000 ] - [ 0.0015965100000000, 0.0010636200000000, -0.0009003100000000 ] - [ -0.0015458900000000, 0.0034165700000000, 0.0023028800000000 ] - [ 0.0049528600000000, -0.0033399300000000, -0.0022258000000000 ] - [ -0.0017825700000000, -0.0014990700000000, -0.0000228200000000 ] - [ 0.0015832900000000, 0.0000720400000000, -0.0007068600000000 ] - [ -0.0424199400000000, -0.0210807200000000, 0.0155739800000000 ] - [ 0.0036967200000000, 0.0016596500000000, -0.0017719900000000 ] - [ 0.0006297500000000, -0.0001606800000000, -0.0007972800000000 ] - [ -0.0008056800000000, -0.0020771100000000, 0.0015174400000000 ] - [ 0.0031689800000000, 0.0014914500000000, -0.0034247400000000 ] - [ -0.0017137500000000, -0.0022780800000000, 0.0029324400000000 ] - [ -0.0009240800000000, -0.0006069100000000, -0.0008840400000000 ] - [ 0.0000836700000000, -0.0020763800000000, 0.0008754000000000 ] - [ 0.0103362200000000, 0.0003671300000000, -0.0129224700000000 ] - [ 0.0041874400000000, 0.0033958700000000, -0.0003132800000000 ] - [ 0.0032614000000000, -0.0001083400000000, -0.0054539500000000 ] - [ 0.0027855700000000, -0.0003598400000000, 0.0004408600000000 ] - [ -0.0004927500000000, 0.0002171500000000, -0.0010588600000000 ] - [ 0.0003244500000000, 0.0003296600000000, 0.0001042900000000 ] - [ 0.0032839800000000, -0.0008096600000000, -0.0041692100000000 ] - [ -0.0030213100000000, 0.0063679100000000, 0.0057369000000000 ] - [ 0.0009413700000000, -0.0005443700000000, -0.0011447700000000 ] - [ 0.0001700800000000, -0.0001990300000000, 0.0003600200000000 ] - [ -0.1240839900000000, 0.0267268000000000, 0.0519006900000000 ] - [ 0.0040112300000000, -0.0002767800000000, -0.0017555900000000 ] - [ -0.0013201800000000, 0.0007947000000000, -0.0006120700000000 ] - [ 0.0019630900000000, -0.0015982400000000, -0.0010739800000000 ] - [ 0.0056228600000000, -0.0008929900000000, -0.0042217800000000 ] - [ 0.0038201200000000, 0.0052760500000000, -0.0014627000000000 ] - [ 0.0021626800000000, 0.0025560900000000, -0.0013943800000000 ] - [ -0.0012457300000000, -0.0041710800000000, 0.0038195700000000 ] - [ 0.0014960800000000, 0.0016391700000000, -0.0014321600000000 ] - [ -0.0023887000000000, -0.0022369100000000, 0.0028703700000000 ] - [ 0.0008526900000000, -0.0007034000000000, -0.0006756700000000 ] - [ -0.0006548100000000, -0.0000946800000000, -0.0006292200000000 ] - [ -0.0122472800000000, -0.0247349800000000, 0.0224603000000000 ] - [ 0.0033035500000000, 0.0015530200000000, -0.0018559500000000 ] - [ -0.0036386400000000, -0.0046489100000000, 0.0016172600000000 ] - [ 0.0016971600000000, 0.0003882900000000, -0.0013826900000000 ] - [ 0.5552585500000000, 0.0152807400000000, 0.1353346700000000 ] - [ -0.0086079000000000, -0.0017211300000000, -0.0002958600000000 ] - [ 0.0023811200000000, 0.0021150100000000, -0.0000115700000000 ] - [ -0.0037881500000000, 0.0003852000000000, -0.0001097500000000 ] - [ -0.0053941000000000, 0.0008282400000000, 0.0063963500000000 ] - [ -0.0070177500000000, 0.0023788000000000, -0.0084353800000000 ] - [ -0.0006455700000000, 0.0000803500000000, 0.0004651200000000 ] - [ 0.0001307500000000, 0.0017775400000000, -0.0013362000000000 ] - [ -0.0054371000000000, -0.0087055300000000, 0.0128638100000000 ] - [ -0.0069942300000000, -0.0125141400000000, -0.0146168800000000 ] - [ -0.0006490700000000, 0.0021656600000000, 0.0005942600000000 ] - [ 0.0001323100000000, 0.0019480400000000, -0.0010505500000000 ] - [ 0.0066296900000000, -0.0001479800000000, 0.0040441800000000 ] - [ -0.0034877900000000, -0.0005942600000000, -0.0017267100000000 ] - [ -0.0144675200000000, -0.0238135500000000, 0.0218409200000000 ] - [ -0.0078244400000000, 0.0000449400000000, -0.0024070500000000 ] - [ -0.0011968500000000, 0.0006284700000000, 0.0004817400000000 ] - [ -0.0010670900000000, 0.0022669100000000, -0.0043335400000000 ] - [ -0.0049043100000000, 0.0012929600000000, 0.0036370700000000 ] - [ 0.0062059000000000, -0.0058705500000000, -0.0039029000000000 ] - [ 0.0066144800000000, -0.0024596700000000, 0.0051588400000000 ] - [ -0.0034822100000000, 0.0049995900000000, -0.0034016300000000 ] - [ -0.0146283100000000, 0.0618909700000000, 0.0456928100000000 ] - [ -0.0078482700000000, -0.0020748000000000, 0.0005505100000000 ] - [ -0.0140339500000000, 0.0106477600000000, 0.0105116700000000 ] - [ -0.0030507800000000, -0.0081738200000000, 0.0031660200000000 ] - [ -0.0030161800000000, -0.0082444100000000, -0.0038950500000000 ] - [ -0.0139308400000000, 0.0072105600000000, -0.0093894700000000 ] - [ -0.0033840800000000, 0.0001313000000000, 0.0009448500000000 ] - [ 0.0067846100000000, -0.0036384100000000, -0.0070966700000000 ] - [ -0.0036771100000000, 0.0009188200000000, 0.0000267900000000 ] - [ 0.0066302900000000, -0.0011237000000000, 0.0021540300000000 ] - [ 0.0067226500000000, 0.0131705200000000, -0.0094329600000000 ] - [ -0.0036811600000000, -0.0016563400000000, 0.0007925700000000 ] - [ 0.0067009000000000, 0.0081510900000000, 0.0046958100000000 ] - [ -0.0033728900000000, -0.0019292300000000, -0.0008029300000000 ] - [ -0.0086518700000000, -0.0002718700000000, 0.0031454100000000 ] - [ -0.0352217900000000, -0.0241352500000000, -0.0320577900000000 ] - [ -0.0033704100000000, -0.0002076700000000, 0.0014847400000000 ] - [ 0.0045102400000000, 0.0009970600000000, -0.0036648800000000 ] - [ 0.0006558200000000, -0.0080274800000000, -0.0013960300000000 ] - [ 0.0006729600000000, 0.0048410700000000, -0.0036319000000000 ] - [ -0.0004002700000000, 0.0022507900000000, 0.0010157800000000 ] - [ -0.0003894500000000, -0.0001176600000000, 0.0000928800000000 ] - [ -0.0352688500000000, 0.0541204200000000, -0.0478745000000000 ] - [ -0.0086160400000000, -0.0016780600000000, -0.0009709300000000 ] - [ 0.0045184400000000, -0.0012802900000000, -0.0039662900000000 ] - [ -0.0033745500000000, 0.0040209300000000, 0.0022187800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000612800000000, 0.0020157400000000, 0.0004542300000000 ] - [ 0.0842780800000000, 0.2091452000000000, 0.1329470100000000 ] - [ -0.0015209800000000, -0.0013070000000000, -0.0001455100000000 ] - [ -0.0005297900000000, -0.0036155700000000, -0.0007982700000000 ] - [ -0.0049548700000000, -0.0000870800000000, -0.0037457500000000 ] - [ 0.0024395300000000, 0.0048602200000000, 0.0038087700000000 ] - [ -0.0004626400000000, -0.0012443000000000, -0.0003162500000000 ] - [ -0.0009278200000000, -0.0015981300000000, 0.0001112900000000 ] - [ 0.0060365600000000, 0.0013044400000000, 0.0058786100000000 ] - [ 0.0015047900000000, 0.0039467900000000, 0.0019816200000000 ] - [ -0.0013897700000000, -0.0021169000000000, -0.0012756000000000 ] - [ -0.0005661600000000, -0.0014800500000000, -0.0003270900000000 ] - [ -0.0017130200000000, -0.0007883600000000, -0.0004353000000000 ] - [ 0.0036562300000000, -0.0056621400000000, 0.0000455900000000 ] - [ -0.0002665500000000, 0.0005202300000000, 0.0008605600000000 ] - [ 0.0014729900000000, -0.0129823600000000, 0.0147143700000000 ] - [ 0.0005645600000000, -0.0024351300000000, 0.0016762000000000 ] - [ 0.0001903400000000, -0.0008069300000000, 0.0008267700000000 ] - [ -0.0013971800000000, 0.0005621700000000, -0.0018898900000000 ] - [ -0.0000031700000000, -0.0007339100000000, 0.0007599500000000 ] - [ 0.0022858100000000, -0.0022052000000000, 0.0016005100000000 ] - [ -0.0007998300000000, -0.0064638300000000, 0.0047817000000000 ] - [ -0.0040709600000000, 0.0007823500000000, -0.0043126500000000 ] - [ 0.0075406900000000, -0.0056861500000000, 0.0013655700000000 ] - [ 0.0012224100000000, -0.0011563700000000, 0.0004619500000000 ] - [ -0.0041188300000000, -0.0043425900000000, -0.0015390900000000 ] - [ -0.0204667700000000, -0.0103263300000000, -0.0046734500000000 ] - [ 0.0041971100000000, 0.0029791500000000, 0.0043320400000000 ] - [ -0.0008601100000000, -0.0002555700000000, -0.0000300400000000 ] - [ -0.0009674400000000, -0.0027449700000000, -0.0028708200000000 ] - [ -0.0006430800000000, 0.0005658200000000, 0.0003632000000000 ] - [ 0.0051192800000000, 0.0042138600000000, 0.0053106200000000 ] - [ -0.0004490500000000, -0.0018806600000000, 0.0013019400000000 ] - [ 0.0001193900000000, -0.0000273700000000, 0.0007798400000000 ] - [ -0.0037286000000000, -0.0057682700000000, -0.0092785300000000 ] - [ -0.0000909100000000, 0.0015226600000000, 0.0001694200000000 ] - [ -0.0033714900000000, 0.0033598800000000, -0.0011196600000000 ] - [ -0.0222029100000000, 0.0139295300000000, -0.0210477600000000 ] - [ 0.0006388500000000, -0.0024797400000000, 0.0015553500000000 ] - [ 0.0016906500000000, -0.0037601100000000, 0.0020735000000000 ] - [ -0.0028407800000000, 0.0031181100000000, -0.0027740100000000 ] - [ 0.0014145600000000, 0.0012224500000000, 0.0010532600000000 ] - [ 0.0007881200000000, -0.0025155500000000, 0.0013174800000000 ] - [ 0.0006910500000000, -0.0025437700000000, 0.0014363800000000 ] - [ -0.0423077800000000, 0.0458031000000000, -0.0302931300000000 ] - [ -0.0008786600000000, 0.0013036200000000, 0.0005591200000000 ] - [ 0.0016888500000000, -0.0041356400000000, 0.0017874100000000 ] - [ 0.0005609500000000, -0.0023711000000000, 0.0011511300000000 ] - [ -0.0003597400000000, 0.0016984900000000, -0.0003713000000000 ] - [ 0.0005792300000000, -0.0107721100000000, -0.0099925600000000 ] - [ -0.0010787800000000, -0.0001260100000000, 0.0003799700000000 ] - [ 0.0031136000000000, -0.0033760300000000, -0.0003162800000000 ] - [ -0.0017267100000000, 0.0013306100000000, 0.0008678300000000 ] - [ 0.0014851300000000, 0.0006717900000000, -0.0005978700000000 ] - [ 0.0014591200000000, -0.0031254100000000, -0.0034003800000000 ] - [ -0.0002922200000000, -0.0000954300000000, 0.0002731900000000 ] - [ 0.0041992600000000, -0.0005940600000000, -0.0008883100000000 ] - [ -0.0031734400000000, 0.0025342700000000, 0.0037840400000000 ] - [ -0.0000239100000000, -0.0048524100000000, -0.0037351200000000 ] - [ 0.0029137400000000, -0.0019098600000000, -0.0010066800000000 ] - [ -0.0006401400000000, -0.0048714300000000, 0.0015463200000000 ] - [ -0.0016800900000000, -0.0027464500000000, 0.0006989700000000 ] - [ 0.0084408300000000, 0.1338269900000000, -0.0537024000000000 ] - [ 0.0004292400000000, 0.0012663700000000, -0.0000472200000000 ] - [ -0.0001371800000000, -0.0019730600000000, 0.0000721300000000 ] - [ -0.0011070500000000, -0.0032515000000000, 0.0009403000000000 ] - [ -0.0022044900000000, -0.0002252900000000, 0.0019062100000000 ] - [ 0.0017484400000000, 0.0058534700000000, -0.0047574900000000 ] - [ -0.0017279000000000, -0.0041998700000000, 0.0024515800000000 ] - [ -0.0002230600000000, -0.0024581400000000, 0.0004843200000000 ] - [ 0.0058152600000000, 0.0018601800000000, -0.0072955900000000 ] - [ 0.0018853800000000, 0.0034137400000000, -0.0020350000000000 ] - [ -0.0164834400000000, 0.0145492000000000, 0.0176548100000000 ] - [ -0.0052833500000000, 0.0062083200000000, 0.0023144800000000 ] - [ 0.0020510000000000, -0.0035490100000000, -0.0019068900000000 ] - [ 0.0006386600000000, -0.0017503100000000, -0.0015770000000000 ] - [ -0.0005212200000000, 0.0022738800000000, -0.0000082500000000 ] - [ -0.0002550000000000, 0.0043007600000000, 0.0014201000000000 ] - [ 0.0001914300000000, -0.0007203500000000, -0.0004820200000000 ] - [ 0.0012491100000000, -0.0026554700000000, -0.0020920700000000 ] - [ -0.0373786200000000, 0.0527872100000000, 0.0303591700000000 ] - [ -0.0009142900000000, 0.0027604600000000, 0.0002235400000000 ] - [ 0.0020803100000000, -0.0038851800000000, -0.0020043400000000 ] - [ 0.0007097500000000, -0.0013219500000000, -0.0007597100000000 ] - [ 0.0030667400000000, 0.0011584000000000, -0.0025952800000000 ] - [ -0.0202198600000000, -0.0145736400000000, 0.0043321900000000 ] - [ -0.0034689700000000, -0.0060881300000000, 0.0014928800000000 ] - [ 0.0005743400000000, -0.0024831700000000, 0.0011921700000000 ] - [ -0.0013228500000000, -0.0003487400000000, -0.0004161700000000 ] - [ 0.0043003600000000, 0.0015800400000000, -0.0046592300000000 ] - [ -0.0002323400000000, -0.0013029500000000, -0.0001395000000000 ] - [ -0.0000291100000000, -0.0037835300000000, 0.0035123200000000 ] - [ 0.0000502700000000, -0.0037506300000000, 0.0036805100000000 ] - [ 0.0003049800000000, 0.0002206900000000, 0.0001052000000000 ] - [ -0.0012760900000000, -0.0036412100000000, -0.0003715600000000 ] - [ -0.0002577000000000, -0.0012928900000000, 0.0000689300000000 ] - [ -0.0177827800000000, -0.5291337400000000, -0.0694154400000000 ] - [ 0.0017896900000000, -0.0026747200000000, -0.0005766700000000 ] - [ -0.0020403400000000, 0.0088963300000000, 0.0001205100000000 ] - [ -0.0003110400000000, 0.0043188000000000, -0.0003977100000000 ] - [ 0.0087532500000000, -0.0090112800000000, -0.0066216100000000 ] - [ 0.0125731100000000, -0.0081355100000000, 0.0079489700000000 ] - [ -0.0020981800000000, 0.0047168500000000, 0.0009307800000000 ] - [ -0.0018689600000000, 0.0049476500000000, -0.0009813100000000 ] - [ -0.0007938300000000, -0.0090536300000000, 0.0046027300000000 ] - [ -0.0022832100000000, -0.0081040800000000, -0.0036918700000000 ] - [ 0.0000015700000000, 0.0047184600000000, -0.0012063100000000 ] - [ -0.0017117500000000, 0.0049450000000000, 0.0008551800000000 ] - [ -0.0023917200000000, 0.0089413400000000, -0.0020547600000000 ] - [ 0.0050592800000000, 0.0032463700000000, 0.0024012200000000 ] - [ 0.0621584800000000, 0.0301651000000000, -0.0512948600000000 ] - [ -0.0019730800000000, -0.0069027500000000, -0.0052222600000000 ] - [ 0.0006988200000000, 0.0012406800000000, -0.0002947500000000 ] - [ 0.0023311400000000, 0.0051206400000000, 0.0012798900000000 ] - [ 0.0013633800000000, -0.0006165300000000, -0.0009679600000000 ] - [ -0.0058039800000000, -0.0087825500000000, 0.0006996300000000 ] - [ -0.0000697200000000, 0.0089469400000000, -0.0038250200000000 ] - [ -0.0005193800000000, 0.0032438100000000, -0.0015507000000000 ] - [ -0.0237525000000000, 0.0304879200000000, 0.0313710700000000 ] - [ 0.0000989000000000, -0.0068927300000000, 0.0032385100000000 ] - [ -0.0071700000000000, 0.0028901600000000, 0.0018485800000000 ] - [ 0.0083760000000000, 0.0138993300000000, -0.0091949500000000 ] - [ 0.0081909000000000, 0.0138763700000000, 0.0105132000000000 ] - [ -0.0105146700000000, 0.0028992200000000, -0.0059975400000000 ] - [ 0.0019993800000000, 0.0006719200000000, 0.0000484700000000 ] - [ -0.0081205500000000, 0.0077150700000000, 0.0116393500000000 ] - [ 0.0017274000000000, 0.0003458600000000, -0.0001695900000000 ] - [ -0.0130387300000000, 0.0045315800000000, -0.0132893200000000 ] - [ 0.0012240500000000, 0.0045159100000000, -0.0049868400000000 ] - [ -0.0008445600000000, 0.0003384300000000, -0.0005829100000000 ] - [ 0.0036626400000000, 0.0077212400000000, 0.0074154300000000 ] - [ -0.0000574000000000, 0.0006779200000000, -0.0009260700000000 ] - [ -0.0016281000000000, -0.0056746100000000, 0.0036222000000000 ] - [ 0.0540402500000000, 0.0220017200000000, 0.0400967700000000 ] - [ 0.0040996100000000, 0.0037489200000000, -0.0027158900000000 ] - [ -0.0012018400000000, 0.0076135700000000, -0.0003084300000000 ] - [ 0.0049084700000000, -0.0036722300000000, 0.0019176600000000 ] - [ -0.0079500700000000, -0.0036698800000000, 0.0006267000000000 ] - [ -0.0000542500000000, 0.0036009500000000, 0.0009942700000000 ] - [ 0.0023374700000000, 0.0036024600000000, -0.0029146000000000 ] - [ -0.0240477100000000, 0.0218584200000000, -0.0242202900000000 ] - [ -0.0001860500000000, -0.0056840500000000, -0.0041683500000000 ] - [ 0.0010573600000000, 0.0076057100000000, 0.0015401800000000 ] - [ -0.0001383000000000, 0.0037527500000000, 0.0006691100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000202000000000, -0.0008996200000000, 0.0006429200000000 ] - [ -0.0794643100000000, -0.1999871700000000, -0.1237710200000000 ] - [ 0.0016032800000000, 0.0024230800000000, 0.0012399400000000 ] - [ 0.0006044500000000, 0.0047348000000000, 0.0018894400000000 ] - [ 0.0050211600000000, 0.0012002500000000, 0.0048258200000000 ] - [ -0.0023638300000000, -0.0037462400000000, -0.0027210900000000 ] - [ 0.0005411000000000, 0.0023575900000000, 0.0014087400000000 ] - [ 0.0010047900000000, 0.0027096700000000, 0.0009801700000000 ] - [ -0.0060236100000000, -0.0001752800000000, -0.0048471400000000 ] - [ -0.0014111700000000, -0.0028152100000000, -0.0008824500000000 ] - [ 0.0014744200000000, 0.0032370800000000, 0.0023780200000000 ] - [ 0.0006439400000000, 0.0025935400000000, 0.0014219100000000 ] - [ 0.0017883100000000, -0.0003224800000000, 0.0015246000000000 ] - [ -0.0035810200000000, 0.0045388900000000, 0.0010302200000000 ] - [ 0.0003473600000000, -0.0016378400000000, 0.0002340400000000 ] - [ -0.0014152200000000, 0.0117856900000000, -0.0135399400000000 ] - [ -0.0004879300000000, 0.0013295300000000, -0.0005869500000000 ] - [ -0.0001121600000000, -0.0003044800000000, 0.0002652300000000 ] - [ 0.0014774400000000, -0.0016830600000000, 0.0029855900000000 ] - [ 0.0000866300000000, -0.0003844000000000, 0.0003339900000000 ] - [ -0.0022070700000000, 0.0010942200000000, -0.0005054200000000 ] - [ 0.0008561600000000, 0.0053222800000000, -0.0036731800000000 ] - [ 0.0041650300000000, -0.0019048300000000, 0.0054209700000000 ] - [ -0.0074747300000000, 0.0045159500000000, -0.0002454600000000 ] - [ -0.0011345200000000, 0.0022749500000000, 0.0006385100000000 ] - [ 0.0041887900000000, 0.0054584300000000, 0.0026261000000000 ] - [ 0.0205754500000000, 0.0114873900000000, 0.0057625900000000 ] - [ -0.0041223500000000, -0.0018704300000000, -0.0032381100000000 ] - [ 0.0009400000000000, 0.0013724400000000, 0.0011236600000000 ] - [ 0.0010403800000000, 0.0038637000000000, 0.0039645500000000 ] - [ 0.0007216300000000, 0.0005443500000000, 0.0007249700000000 ] - [ -0.0050400600000000, -0.0030999200000000, -0.0042216200000000 ] - [ 0.0005408300000000, 0.0030056600000000, -0.0001926900000000 ] - [ -0.0000385200000000, 0.0011446800000000, 0.0003156900000000 ] - [ 0.0037472100000000, 0.0068343000000000, 0.0103560200000000 ] - [ 0.0001728100000000, -0.0004113400000000, 0.0009282100000000 ] - [ 0.0034520300000000, -0.0044784800000000, 0.0022149300000000 ] - [ 0.0222128800000000, -0.0150492200000000, 0.0220668700000000 ] - [ -0.0005592800000000, 0.0013661200000000, -0.0004646300000000 ] - [ -0.0016161200000000, 0.0026465200000000, -0.0009840400000000 ] - [ 0.0029132200000000, -0.0042199300000000, 0.0038486700000000 ] - [ -0.0013473000000000, -0.0023377600000000, 0.0000294700000000 ] - [ -0.0007084900000000, 0.0013993700000000, -0.0002219700000000 ] - [ -0.0006108700000000, 0.0014282300000000, -0.0003406300000000 ] - [ 0.0432331000000000, -0.0479784400000000, 0.0321749800000000 ] - [ 0.0009643600000000, -0.0024167400000000, 0.0005394200000000 ] - [ -0.0016088900000000, 0.0030220700000000, -0.0006894000000000 ] - [ -0.0004820800000000, 0.0012550900000000, -0.0000555700000000 ] - [ 0.0005392300000000, -0.0007884700000000, -0.0001054100000000 ] - [ -0.0003712100000000, 0.0117861800000000, 0.0095416900000000 ] - [ 0.0012637100000000, 0.0010313500000000, -0.0008627600000000 ] - [ -0.0029274900000000, 0.0042817800000000, -0.0001716300000000 ] - [ 0.0019088900000000, -0.0004133100000000, -0.0013483200000000 ] - [ -0.0013096600000000, 0.0002393600000000, 0.0001195100000000 ] - [ -0.0012772000000000, 0.0040318500000000, 0.0029219500000000 ] - [ 0.0004726600000000, 0.0010012700000000, -0.0007504200000000 ] - [ -0.0040312400000000, 0.0015710200000000, 0.0004269800000000 ] - [ 0.0033453800000000, -0.0016152000000000, -0.0042578800000000 ] - [ 0.0002110200000000, 0.0057795300000000, 0.0032708200000000 ] - [ -0.0027350700000000, 0.0028184000000000, 0.0005283900000000 ] - [ 0.0008238300000000, 0.0039595000000000, -0.0020251300000000 ] - [ 0.0018588100000000, 0.0018378300000000, -0.0011767900000000 ] - [ -0.0105823500000000, -0.1425585500000000, 0.0592888500000000 ] - [ -0.0002488700000000, -0.0021773200000000, -0.0004299100000000 ] - [ 0.0003175100000000, 0.0010662700000000, -0.0005521100000000 ] - [ 0.0012872100000000, 0.0023460200000000, -0.0014204200000000 ] - [ 0.0023912100000000, -0.0006821900000000, -0.0023921800000000 ] - [ -0.0015686400000000, -0.0067667200000000, 0.0042791800000000 ] - [ 0.0019026500000000, 0.0032853700000000, -0.0029200500000000 ] - [ 0.0004041900000000, 0.0015524500000000, -0.0009621200000000 ] - [ -0.0055544300000000, -0.0027978400000000, 0.0067121200000000 ] - [ -0.0017130400000000, -0.0043378500000000, 0.0015649000000000 ] - [ 0.0167566900000000, -0.0136637800000000, -0.0182232500000000 ] - [ 0.0054740300000000, -0.0053060000000000, -0.0027959600000000 ] - [ -0.0018664800000000, 0.0044546500000000, 0.0014257400000000 ] - [ -0.0004597900000000, 0.0026589500000000, 0.0010980600000000 ] - [ 0.0007137000000000, -0.0013667400000000, -0.0004841900000000 ] - [ 0.0004374300000000, -0.0034042800000000, -0.0019070900000000 ] - [ -0.0000140800000000, 0.0016290200000000, 0.0000059300000000 ] - [ -0.0010714100000000, 0.0035672900000000, 0.0016169000000000 ] - [ 0.0383840900000000, -0.0517832100000000, -0.0313478500000000 ] - [ 0.0010948200000000, -0.0018586800000000, -0.0006998700000000 ] - [ -0.0018984700000000, 0.0047918300000000, 0.0015300800000000 ] - [ -0.0005302000000000, 0.0022335700000000, 0.0002840000000000 ] - [ -0.0028861000000000, -0.0020600900000000, 0.0021200700000000 ] - [ 0.0204270000000000, 0.0136847200000000, -0.0048378700000000 ] - [ 0.0036613000000000, 0.0051903100000000, -0.0019747800000000 ] - [ -0.0003988000000000, 0.0015700200000000, -0.0016668400000000 ] - [ 0.0015058000000000, -0.0005526100000000, -0.0000689300000000 ] - [ -0.0041238200000000, -0.0024827200000000, 0.0041798200000000 ] - [ 0.0004126000000000, 0.0003914000000000, -0.0003386300000000 ] - [ 0.0002158200000000, 0.0028639900000000, -0.0039837700000000 ] - [ 0.0001745500000000, 0.0029270400000000, -0.0042200400000000 ] - [ -0.0001215300000000, -0.0011235600000000, -0.0005840100000000 ] - [ 0.0014471900000000, 0.0027238000000000, -0.0000960600000000 ] - [ 0.0004352500000000, 0.0003822000000000, -0.0005442000000000 ] - [ 0.0131950000000000, 0.5303272300000000, 0.0539685300000000 ] - [ -0.0020543700000000, 0.0030806800000000, -0.0000458000000000 ] - [ 0.0017809800000000, -0.0084907400000000, -0.0007407100000000 ] - [ 0.0000518500000000, -0.0039172200000000, -0.0002220700000000 ] - [ -0.0090530700000000, 0.0094394100000000, 0.0060292000000000 ] - [ -0.0127956300000000, 0.0085200300000000, -0.0085420100000000 ] - [ 0.0018387700000000, -0.0043099600000000, -0.0015397600000000 ] - [ 0.0016124600000000, -0.0045454000000000, 0.0003697500000000 ] - [ 0.0005055800000000, 0.0093975100000000, -0.0051696400000000 ] - [ 0.0020454700000000, 0.0085518000000000, 0.0030980200000000 ] - [ -0.0002580800000000, -0.0043086400000000, 0.0005847700000000 ] - [ 0.0014490100000000, -0.0045479300000000, -0.0014772100000000 ] - [ 0.0021140400000000, -0.0093327700000000, 0.0014405700000000 ] - [ -0.0053096700000000, -0.0036506800000000, -0.0030110300000000 ] - [ -0.0625823800000000, -0.0309192500000000, 0.0510932600000000 ] - [ 0.0017146700000000, 0.0065035100000000, 0.0046061300000000 ] - [ -0.0009591500000000, -0.0016496000000000, -0.0003207400000000 ] - [ -0.0025903600000000, -0.0055320700000000, -0.0018942400000000 ] - [ -0.0016314700000000, 0.0002239100000000, 0.0003679500000000 ] - [ 0.0055432900000000, 0.0083934800000000, -0.0013068600000000 ] - [ -0.0002036700000000, -0.0093277000000000, 0.0031769000000000 ] - [ 0.0002588300000000, -0.0036532200000000, 0.0009332000000000 ] - [ 0.0236566800000000, -0.0305969700000000, -0.0320862000000000 ] - [ -0.0003601700000000, 0.0065137800000000, -0.0038720900000000 ] - [ 0.0069000900000000, -0.0024972100000000, -0.0024751400000000 ] - [ -0.0085840700000000, -0.0134922400000000, 0.0085857100000000 ] - [ -0.0084971300000000, -0.0135162200000000, -0.0111660500000000 ] - [ 0.0102717600000000, -0.0024881800000000, 0.0053829400000000 ] - [ -0.0022572500000000, -0.0002752900000000, -0.0006600500000000 ] - [ 0.0078970700000000, -0.0073320600000000, -0.0122436600000000 ] - [ -0.0019898600000000, 0.0000653900000000, -0.0004410300000000 ] - [ 0.0127373900000000, -0.0041221500000000, 0.0126770300000000 ] - [ -0.0014881200000000, -0.0041373600000000, 0.0043597400000000 ] - [ 0.0005875100000000, 0.0000581300000000, -0.0000315300000000 ] - [ -0.0039306200000000, -0.0073269200000000, -0.0080538100000000 ] - [ -0.0002065000000000, -0.0002697100000000, 0.0003049300000000 ] - [ 0.0013688300000000, 0.0052721100000000, -0.0042452600000000 ] - [ -0.0540310600000000, -0.0222580900000000, -0.0402496200000000 ] - [ -0.0043705000000000, -0.0041571800000000, 0.0021091200000000 ] - [ 0.0009575700000000, -0.0080205100000000, -0.0003003100000000 ] - [ -0.0051602200000000, 0.0032547900000000, -0.0025149200000000 ] - [ 0.0077062000000000, 0.0032569900000000, -0.0012301600000000 ] - [ -0.0002025800000000, -0.0040007300000000, -0.0016114700000000 ] - [ -0.0025927200000000, -0.0039990200000000, 0.0022952600000000 ] - [ 0.0237304800000000, -0.0224056300000000, 0.0235156500000000 ] - [ -0.0000876800000000, 0.0052626700000000, 0.0035383700000000 ] - [ -0.0013125900000000, -0.0080282500000000, -0.0021800900000000 ] - [ -0.0001187200000000, -0.0041534000000000, -0.0012870600000000 ]- atom: 97 displacement: [ -0.0065710994853938, 0.0000000000000000, 0.0075379474363422 ] forces: - [ 0.0028159300000000, 0.0016303200000000, 0.0024643600000000 ] - [ -0.0013094200000000, 0.0462787200000000, 0.0609506900000000 ] - [ 0.0017403200000000, 0.0010816200000000, 0.0011499200000000 ] - [ -0.0016327500000000, 0.0002793500000000, 0.0014080100000000 ] - [ -0.0029160100000000, 0.0002198800000000, -0.0022611200000000 ] - [ 0.0003344800000000, -0.0015507600000000, -0.0029127800000000 ] - [ -0.0010455400000000, -0.0008271900000000, -0.0008528600000000 ] - [ 0.0005421800000000, 0.0010740300000000, 0.0000433200000000 ] - [ 0.0029023900000000, -0.0006122300000000, 0.0004711100000000 ] - [ 0.0059198900000000, 0.0043938500000000, 0.0006288600000000 ] - [ -0.0011614000000000, 0.0003238500000000, 0.0008720300000000 ] - [ 0.0006398200000000, -0.0010538800000000, -0.0004454900000000 ] - [ 0.0002002600000000, -0.0006245700000000, 0.0002213800000000 ] - [ 0.0001969700000000, -0.0023928500000000, 0.0004040000000000 ] - [ 0.0021278100000000, -0.0011977000000000, 0.0020032100000000 ] - [ -0.0026579200000000, 0.0079110100000000, -0.0095485600000000 ] - [ -0.0011713200000000, -0.0002054600000000, -0.0000490800000000 ] - [ 0.0008449100000000, -0.0005058900000000, 0.0000672500000000 ] - [ -0.0062736800000000, 0.0006030000000000, -0.0051543700000000 ] - [ 0.0019055100000000, -0.0007664200000000, -0.0002770000000000 ] - [ 0.0013810500000000, -0.0015796600000000, 0.0015301500000000 ] - [ 0.0000458100000000, -0.0002882900000000, 0.0020995200000000 ] - [ 0.0031632200000000, -0.0007255400000000, 0.0040611100000000 ] - [ 0.0141212600000000, -0.0234663500000000, 0.0079425300000000 ] - [ 0.0001460300000000, -0.0002646700000000, 0.0006551100000000 ] - [ -0.0002656400000000, -0.0002426500000000, 0.0009833600000000 ] - [ 0.0142962300000000, 0.0105011700000000, 0.0057535600000000 ] - [ 0.0058254100000000, 0.0018579700000000, 0.0062168900000000 ] - [ 0.0004761600000000, 0.0005543400000000, 0.0000310200000000 ] - [ -0.0013464800000000, -0.0007349400000000, -0.0007868100000000 ] - [ 0.0016892500000000, 0.0005843800000000, -0.0003812900000000 ] - [ -0.0047447600000000, 0.0002318300000000, -0.0039068800000000 ] - [ -0.0008101300000000, 0.0002788200000000, 0.0005400500000000 ] - [ 0.0008921900000000, 0.0007410100000000, 0.0006886000000000 ] - [ -0.0146313500000000, -0.0186406900000000, -0.0196480900000000 ] - [ 0.0020791200000000, 0.0008596600000000, 0.0013652600000000 ] - [ 0.0045437800000000, -0.0029083500000000, 0.0011315400000000 ] - [ -0.0069611700000000, 0.0019578100000000, -0.0044491700000000 ] - [ 0.0007726700000000, -0.0004487500000000, 0.0001999800000000 ] - [ -0.0009590000000000, -0.0008030500000000, 0.0010079900000000 ] - [ -0.0018244100000000, 0.0037797900000000, -0.0057914500000000 ] - [ -0.0007359600000000, -0.0000475200000000, -0.0003337500000000 ] - [ 0.0005888400000000, -0.0017626100000000, 0.0003762300000000 ] - [ -0.0001919500000000, -0.0002544200000000, -0.0002071900000000 ] - [ -0.0504692100000000, 0.0054904800000000, 0.0141790300000000 ] - [ 0.0036632600000000, -0.0005706400000000, 0.0025513000000000 ] - [ -0.0007799700000000, -0.0007068300000000, 0.0015937900000000 ] - [ 0.0017845300000000, -0.0020517300000000, 0.0015207300000000 ] - [ 0.0018361700000000, -0.0010298400000000, -0.0013819200000000 ] - [ 0.0009654700000000, 0.0001385800000000, -0.0020047200000000 ] - [ 0.0021689000000000, -0.0003504000000000, -0.0016984800000000 ] - [ -0.0038434300000000, 0.0033760100000000, 0.0016224300000000 ] - [ -0.0016488600000000, 0.0022064800000000, 0.0000809800000000 ] - [ 0.0011339100000000, -0.0008795200000000, -0.0019722700000000 ] - [ 0.0014221100000000, -0.0049404700000000, -0.0052539400000000 ] - [ 0.0012007400000000, 0.0001086900000000, -0.0012469200000000 ] - [ 0.0014649400000000, -0.0005067000000000, 0.0004794400000000 ] - [ -0.0002837100000000, 0.0019390100000000, 0.0021019300000000 ] - [ -0.0021949500000000, 0.0043080600000000, 0.0041332200000000 ] - [ 0.0055271600000000, -0.0033101100000000, -0.0016758300000000 ] - [ -0.0007835500000000, -0.0019167300000000, 0.0008846300000000 ] - [ 0.0004178900000000, -0.0005208700000000, -0.0001391700000000 ] - [ -0.0327137300000000, -0.0629472500000000, 0.0662021100000000 ] - [ 0.0026490500000000, 0.0009929500000000, -0.0006191700000000 ] - [ 0.0009182300000000, 0.0001365300000000, -0.0010564200000000 ] - [ -0.0007762600000000, -0.0013709700000000, 0.0000851300000000 ] - [ 0.0052704700000000, 0.0023256800000000, -0.0054502100000000 ] - [ -0.0017263400000000, 0.0005435800000000, -0.0015668700000000 ] - [ -0.0003573700000000, -0.0012248700000000, 0.0001881100000000 ] - [ 0.0000363000000000, -0.0008341900000000, -0.0000894800000000 ] - [ 0.0114796400000000, 0.0015466100000000, -0.0147590300000000 ] - [ 0.0003581800000000, -0.0003139000000000, 0.0001147500000000 ] - [ 0.0120409900000000, -0.0029071900000000, -0.0120373900000000 ] - [ -0.0010212200000000, 0.0023671000000000, 0.0011192300000000 ] - [ 0.0005228700000000, -0.0002028100000000, -0.0005290200000000 ] - [ 0.0002304700000000, -0.0001790900000000, -0.0006699300000000 ] - [ 0.0042652700000000, -0.0012882500000000, -0.0051100200000000 ] - [ -0.0020948500000000, 0.0020926100000000, 0.0001402100000000 ] - [ 0.0010377200000000, -0.0006460100000000, -0.0012756200000000 ] - [ -0.0004398000000000, 0.0003339600000000, -0.0003498200000000 ] - [ -0.1253359500000000, 0.0328881200000000, 0.0882962400000000 ] - [ 0.0022226600000000, -0.0005807700000000, -0.0006445800000000 ] - [ -0.0007243000000000, 0.0006051600000000, 0.0004175200000000 ] - [ 0.0009533300000000, -0.0001632600000000, -0.0003975100000000 ] - [ 0.0017759100000000, -0.0014971400000000, 0.0000619100000000 ] - [ -0.0115646200000000, -0.0057845400000000, 0.0031869400000000 ] - [ 0.0027220000000000, 0.0036699700000000, -0.0011009300000000 ] - [ -0.0013838800000000, -0.0045423400000000, 0.0051220200000000 ] - [ 0.0010226400000000, 0.0015302900000000, -0.0024561400000000 ] - [ -0.0000809500000000, -0.0013798700000000, -0.0011315300000000 ] - [ 0.0012241800000000, -0.0004094000000000, -0.0014198000000000 ] - [ -0.0003430400000000, 0.0015227700000000, -0.0023674400000000 ] - [ -0.0051264000000000, -0.0052892400000000, 0.0048913500000000 ] - [ 0.0028446200000000, 0.0016068300000000, -0.0014189700000000 ] - [ -0.0049543700000000, -0.0063708200000000, 0.0023011500000000 ] - [ 0.0016255700000000, 0.0001694500000000, -0.0014559600000000 ] - [ 0.2616414900000000, -0.0308437800000000, -0.3008863700000000 ] - [ -0.0056997200000000, -0.0012655500000000, -0.0017461900000000 ] - [ 0.0013042600000000, 0.0017847400000000, -0.0018082300000000 ] - [ -0.0026753100000000, 0.0002562400000000, -0.0015584400000000 ] - [ -0.0136274200000000, 0.0043304700000000, 0.0103249900000000 ] - [ 0.0061165800000000, -0.0009340600000000, 0.0022116800000000 ] - [ -0.0011529100000000, -0.0005539700000000, 0.0004529500000000 ] - [ 0.0005947800000000, 0.0021194200000000, 0.0001773100000000 ] - [ -0.0086989400000000, -0.0104480900000000, 0.0145416800000000 ] - [ 0.0014893800000000, -0.0019185000000000, -0.0018265300000000 ] - [ -0.0010552300000000, 0.0024263500000000, 0.0005400800000000 ] - [ 0.0008142900000000, 0.0008379700000000, 0.0003677000000000 ] - [ 0.0001873000000000, 0.0024835400000000, -0.0014402500000000 ] - [ -0.0000059600000000, 0.0004797400000000, 0.0000517900000000 ] - [ -0.0445980400000000, -0.0399362900000000, 0.0410890300000000 ] - [ -0.0058322500000000, -0.0027287700000000, -0.0043450900000000 ] - [ -0.0014319000000000, 0.0003349600000000, 0.0009713000000000 ] - [ 0.0022826500000000, 0.0002191600000000, 0.0006219500000000 ] - [ -0.0062704000000000, 0.0012784500000000, 0.0055479400000000 ] - [ 0.0067104700000000, -0.0046799400000000, 0.0055299000000000 ] - [ 0.0010286200000000, -0.0003638000000000, -0.0006987900000000 ] - [ -0.0012595300000000, 0.0011638800000000, -0.0010414400000000 ] - [ -0.0263460000000000, 0.0791954100000000, 0.0567217200000000 ] - [ -0.0035853600000000, 0.0022852800000000, -0.0023966200000000 ] - [ -0.0023343400000000, 0.0027496700000000, -0.0013484800000000 ] - [ 0.0006978600000000, 0.0028895900000000, -0.0060547600000000 ] - [ -0.0046191400000000, -0.0120621000000000, -0.0107009700000000 ] - [ -0.0173327300000000, 0.0064472500000000, -0.0143850800000000 ] - [ -0.0019035000000000, -0.0003076500000000, 0.0016655500000000 ] - [ 0.0005923500000000, 0.0035415000000000, 0.0018860500000000 ] - [ -0.0033029700000000, 0.0004624700000000, 0.0011847400000000 ] - [ 0.0111734000000000, -0.0042056100000000, 0.0072984500000000 ] - [ 0.0024593400000000, -0.0011109900000000, -0.0003019600000000 ] - [ -0.0027209300000000, -0.0009112400000000, 0.0016958500000000 ] - [ 0.0094432300000000, 0.0144357500000000, 0.0096162000000000 ] - [ -0.0032069600000000, -0.0009293800000000, 0.0005218500000000 ] - [ -0.0052154300000000, 0.0026769100000000, -0.0015981500000000 ] - [ 0.0125530600000000, 0.0020667900000000, 0.0094272400000000 ] - [ -0.0041726200000000, -0.0009454400000000, 0.0015359800000000 ] - [ 0.0056980400000000, -0.0008186300000000, -0.0053585200000000 ] - [ 0.0028643100000000, -0.0060368500000000, 0.0052480500000000 ] - [ 0.0012019700000000, 0.0014363600000000, 0.0038008600000000 ] - [ -0.0006240500000000, 0.0033756200000000, 0.0026802700000000 ] - [ -0.0013106900000000, -0.0011321900000000, 0.0020756800000000 ] - [ 0.0008657000000000, 0.0050908500000000, -0.0007390000000000 ] - [ -0.0082843200000000, -0.0041453900000000, -0.0042792200000000 ] - [ 0.0054751600000000, -0.0009069000000000, -0.0055502800000000 ] - [ -0.0036186200000000, 0.0043956300000000, 0.0020213100000000 ]- atom: 97 displacement: [ 0.0065710994853938, 0.0000000000000000, -0.0075379474363422 ] forces: - [ -0.0027339200000000, -0.0005132100000000, -0.0013674200000000 ] - [ 0.0013378600000000, -0.0458137800000000, -0.0610025500000000 ] - [ -0.0016650600000000, 0.0000331900000000, -0.0000572800000000 ] - [ 0.0017139600000000, 0.0008313600000000, -0.0003174700000000 ] - [ 0.0030121000000000, 0.0009030000000000, 0.0033710300000000 ] - [ -0.0002608200000000, 0.0026599400000000, 0.0039910200000000 ] - [ 0.0011285400000000, 0.0019465800000000, 0.0019511200000000 ] - [ -0.0004678300000000, 0.0000377600000000, 0.0010507000000000 ] - [ -0.0028731900000000, 0.0017476800000000, 0.0005950100000000 ] - [ -0.0058634400000000, -0.0032756100000000, 0.0004740900000000 ] - [ 0.0012415500000000, 0.0007911600000000, 0.0002193200000000 ] - [ -0.0005622800000000, 0.0021725800000000, 0.0015401600000000 ] - [ -0.0001183500000000, -0.0004937900000000, 0.0008743200000000 ] - [ -0.0001219800000000, 0.0012698200000000, 0.0006941100000000 ] - [ -0.0020497200000000, 0.0000821200000000, -0.0009100000000000 ] - [ 0.0027107800000000, -0.0090848300000000, 0.0107668900000000 ] - [ 0.0012511000000000, -0.0009116100000000, 0.0011435200000000 ] - [ -0.0007663200000000, -0.0006137600000000, 0.0010276200000000 ] - [ 0.0063650200000000, -0.0017228800000000, 0.0062617400000000 ] - [ -0.0018310800000000, -0.0003451400000000, 0.0013665000000000 ] - [ -0.0013116300000000, 0.0004643700000000, -0.0004348500000000 ] - [ 0.0000373700000000, -0.0008313200000000, -0.0010126600000000 ] - [ -0.0030937000000000, -0.0003873100000000, -0.0029771700000000 ] - [ -0.0140777200000000, 0.0223291000000000, -0.0068529000000000 ] - [ -0.0000698700000000, 0.0013794900000000, 0.0004452400000000 ] - [ 0.0003468800000000, 0.0013605800000000, 0.0001101300000000 ] - [ -0.0142867200000000, -0.0093772800000000, -0.0046488800000000 ] - [ -0.0057559300000000, -0.0007401700000000, -0.0051363500000000 ] - [ -0.0003979100000000, 0.0005596700000000, 0.0010624500000000 ] - [ 0.0014233700000000, 0.0018519500000000, 0.0018828000000000 ] - [ -0.0016077300000000, 0.0005368600000000, 0.0014773300000000 ] - [ 0.0048371200000000, 0.0008930100000000, 0.0050175800000000 ] - [ 0.0008920100000000, 0.0008378000000000, 0.0005518800000000 ] - [ -0.0008170500000000, 0.0003714000000000, 0.0004017700000000 ] - [ 0.0147504200000000, 0.0198751700000000, 0.0208258000000000 ] - [ -0.0020058100000000, 0.0002571800000000, -0.0002730600000000 ] - [ -0.0044500900000000, 0.0017839000000000, -0.0000356900000000 ] - [ 0.0070842200000000, -0.0030908900000000, 0.0055934600000000 ] - [ -0.0006961000000000, -0.0006685800000000, 0.0008945700000000 ] - [ 0.0010428300000000, -0.0003173300000000, 0.0000878700000000 ] - [ 0.0019004300000000, -0.0049017800000000, 0.0069034000000000 ] - [ 0.0008036700000000, -0.0010648700000000, 0.0014166200000000 ] - [ -0.0005105900000000, 0.0006480900000000, 0.0007176700000000 ] - [ 0.0002704200000000, -0.0008640900000000, 0.0013038900000000 ] - [ 0.0522612800000000, -0.0073121800000000, -0.0122992500000000 ] - [ -0.0035943300000000, -0.0005429600000000, -0.0014637700000000 ] - [ 0.0008599300000000, -0.0004108200000000, -0.0005027000000000 ] - [ -0.0017088400000000, 0.0009367300000000, -0.0004285900000000 ] - [ -0.0016509200000000, 0.0019326700000000, 0.0009020700000000 ] - [ -0.0008040000000000, 0.0007954500000000, 0.0015729700000000 ] - [ -0.0019917900000000, 0.0012621600000000, 0.0012249900000000 ] - [ 0.0040368200000000, -0.0024798100000000, -0.0021029500000000 ] - [ 0.0018379600000000, -0.0013011900000000, -0.0005603600000000 ] - [ -0.0009563600000000, 0.0017853700000000, 0.0014917800000000 ] - [ -0.0012417500000000, 0.0058654600000000, 0.0047916400000000 ] - [ -0.0010255100000000, 0.0008026100000000, 0.0007743300000000 ] - [ -0.0013353000000000, 0.0014741300000000, -0.0009377500000000 ] - [ 0.0004676900000000, -0.0010373500000000, -0.0025898900000000 ] - [ 0.0023746300000000, -0.0034069400000000, -0.0046168000000000 ] - [ -0.0053500200000000, 0.0042256200000000, 0.0011961600000000 ] - [ 0.0009616600000000, 0.0010065800000000, -0.0013603800000000 ] - [ -0.0002375200000000, -0.0003894800000000, -0.0003379400000000 ] - [ 0.0326062300000000, 0.0584992900000000, -0.0649713700000000 ] - [ -0.0024676900000000, -0.0018991000000000, 0.0001388500000000 ] - [ -0.0007412900000000, -0.0010501200000000, 0.0005820100000000 ] - [ 0.0009579600000000, 0.0004622600000000, -0.0005623300000000 ] - [ -0.0050701700000000, -0.0032228300000000, 0.0049525500000000 ] - [ 0.0019128900000000, -0.0014583800000000, 0.0010982100000000 ] - [ 0.0005376000000000, 0.0003190700000000, -0.0006678300000000 ] - [ 0.0001422300000000, -0.0000763300000000, -0.0003870900000000 ] - [ -0.0112191500000000, -0.0024661100000000, 0.0141569500000000 ] - [ -0.0001837600000000, -0.0005944500000000, -0.0005937700000000 ] - [ -0.0118320300000000, 0.0038953900000000, 0.0115484200000000 ] - [ 0.0012101300000000, -0.0014640800000000, -0.0016008500000000 ] - [ -0.0003419400000000, 0.0011098300000000, 0.0000520300000000 ] - [ -0.0000479900000000, 0.0010870600000000, 0.0001927100000000 ] - [ -0.0040777200000000, 0.0022099800000000, 0.0046274100000000 ] - [ 0.0022772500000000, -0.0011838900000000, -0.0006175000000000 ] - [ -0.0008585200000000, 0.0015536300000000, 0.0007985200000000 ] - [ 0.0006208700000000, 0.0005732800000000, -0.0001280500000000 ] - [ 0.1355900800000000, -0.0372545800000000, -0.0958286200000000 ] - [ -0.0020483700000000, 0.0014963400000000, 0.0001715900000000 ] - [ 0.0009087800000000, 0.0003001700000000, -0.0008986600000000 ] - [ -0.0007738800000000, 0.0010729000000000, -0.0000801700000000 ] - [ -0.0015936100000000, 0.0005724300000000, -0.0005288600000000 ] - [ 0.0118087800000000, 0.0048996300000000, -0.0036927200000000 ] - [ -0.0025448400000000, -0.0045870300000000, 0.0006270200000000 ] - [ 0.0015702800000000, 0.0036372500000000, -0.0056055200000000 ] - [ -0.0008384800000000, -0.0024432500000000, 0.0019814100000000 ] - [ 0.0002533600000000, 0.0004634800000000, 0.0006555600000000 ] - [ -0.0010434100000000, -0.0004987200000000, 0.0009439100000000 ] - [ 0.0005271100000000, -0.0024471500000000, 0.0019036700000000 ] - [ 0.0053453300000000, 0.0044024500000000, -0.0054097600000000 ] - [ -0.0026710400000000, -0.0025230900000000, 0.0009423800000000 ] - [ 0.0051477800000000, 0.0054746500000000, -0.0027851800000000 ] - [ -0.0014486900000000, -0.0010784400000000, 0.0009794400000000 ] - [ -0.2741307400000000, 0.0419431900000000, 0.3061665300000000 ] - [ 0.0054488300000000, 0.0016602800000000, 0.0011300600000000 ] - [ -0.0015646400000000, -0.0013753300000000, 0.0011985100000000 ] - [ 0.0024201900000000, 0.0001496900000000, 0.0009440400000000 ] - [ 0.0132842400000000, -0.0038902500000000, -0.0108722800000000 ] - [ -0.0063993900000000, 0.0013391900000000, -0.0028359300000000 ] - [ 0.0008979800000000, 0.0009666900000000, -0.0010698200000000 ] - [ -0.0008608600000000, -0.0017159500000000, -0.0007975500000000 ] - [ 0.0084484300000000, 0.0107888600000000, -0.0151664300000000 ] - [ -0.0017350600000000, 0.0023208700000000, 0.0012252000000000 ] - [ 0.0007962000000000, -0.0020235900000000, -0.0011562100000000 ] - [ -0.0010758900000000, -0.0004312600000000, -0.0009862800000000 ] - [ -0.0004465900000000, -0.0028825200000000, 0.0008163800000000 ] - [ -0.0002550200000000, -0.0008808200000000, -0.0006696600000000 ] - [ 0.0444701900000000, 0.0390517100000000, -0.0417528400000000 ] - [ 0.0055731400000000, 0.0023299400000000, 0.0037385900000000 ] - [ 0.0011756500000000, -0.0007342500000000, -0.0015909300000000 ] - [ -0.0025446100000000, -0.0006220600000000, -0.0012388500000000 ] - [ 0.0059997400000000, -0.0016958400000000, -0.0061537000000000 ] - [ -0.0069849600000000, 0.0042890700000000, -0.0061677200000000 ] - [ -0.0012944000000000, -0.0000376700000000, 0.0000855700000000 ] - [ 0.0010072400000000, -0.0015698100000000, 0.0004297600000000 ] - [ 0.0265855700000000, -0.0799537500000000, -0.0576219100000000 ] - [ 0.0033383000000000, -0.0027000100000000, 0.0017798700000000 ] - [ 0.0021063200000000, -0.0023303900000000, 0.0006959300000000 ] - [ -0.0009634600000000, -0.0024870400000000, 0.0054564000000000 ] - [ 0.0043706700000000, 0.0124855400000000, 0.0100946000000000 ] - [ 0.0171032000000000, -0.0060577300000000, 0.0138077100000000 ] - [ 0.0016384300000000, 0.0007179000000000, -0.0022814900000000 ] - [ -0.0008295600000000, -0.0031293700000000, -0.0025107200000000 ] - [ 0.0030460800000000, -0.0000636200000000, -0.0018082800000000 ] - [ -0.0114920200000000, 0.0046216700000000, -0.0079576400000000 ] - [ -0.0027231900000000, 0.0015242600000000, -0.0003174200000000 ] - [ 0.0024649800000000, 0.0013265600000000, -0.0023114400000000 ] - [ -0.0097526200000000, -0.0140928300000000, -0.0102745300000000 ] - [ 0.0029589400000000, 0.0013329400000000, -0.0011381300000000 ] - [ 0.0049414200000000, -0.0030677500000000, 0.0009751600000000 ] - [ -0.0126470100000000, -0.0025200900000000, -0.0099893000000000 ] - [ 0.0039221100000000, 0.0005419600000000, -0.0021560500000000 ] - [ -0.0059725200000000, 0.0004285800000000, 0.0047522500000000 ] - [ -0.0031427000000000, 0.0056514800000000, -0.0058845200000000 ] - [ -0.0014396400000000, -0.0018384600000000, -0.0043982800000000 ] - [ 0.0003653700000000, -0.0037909400000000, -0.0033048900000000 ] - [ 0.0010621700000000, 0.0007344800000000, -0.0027043000000000 ] - [ -0.0011144300000000, -0.0053607100000000, 0.0000851500000000 ] - [ 0.0080527100000000, 0.0037549200000000, 0.0036817200000000 ] - [ -0.0057463700000000, 0.0005060600000000, 0.0049514800000000 ] - [ 0.0033650500000000, -0.0048068500000000, -0.0026390800000000 ]