# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/560416b5-9235-4cea-904c-0f013ef47f0c/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 Rb2GeF6 / P-3m1 (164) / materials id 7949](https://mdr.nims.go.jp/datasets/e2d76694-6f8b-4f74-b322-cf0ae6d8903d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-3m1" number: 164 Hall_symbol: "-P 3 2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 5.854337780000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.927168890000000, 5.070005230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.818805580000000 ] # c points: - symbol: F # 1 coordinates: [ 0.851312740000000, 0.148687260000000, 0.787524190000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.851312740000000, 0.702625470000000, 0.787524190000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.297374530000000, 0.148687260000000, 0.787524190000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.148687260000000, 0.851312740000000, 0.212475810000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.148687260000000, 0.297374530000000, 0.212475810000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.702625470000000, 0.851312740000000, 0.212475810000000 ] mass: 18.998403 - symbol: Ge # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 - symbol: Rb # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.702052240000000 ] mass: 85.467800 - symbol: Rb # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.297947760000000 ] mass: 85.467800 reciprocal_lattice: # without 2pi - [ 0.170813512574602, 0.098619227657089, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.197238455314177, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.207520304232735 ] # c*unit_cell: lattice: - [ 5.854337780000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.927168890000000, 5.070005230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.818805580000000 ] # c points: - symbol: F # 1 coordinates: [ 0.851312740000000, 0.148687260000000, 0.787524190000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.851312740000000, 0.702625470000000, 0.787524190000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.297374530000000, 0.148687260000000, 0.787524190000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.148687260000000, 0.851312740000000, 0.212475810000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.148687260000000, 0.297374530000000, 0.212475810000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.702625470000000, 0.851312740000000, 0.212475810000000 ] mass: 18.998403 reduced_to: 6 - symbol: Ge # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.702052240000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.297947760000000 ] mass: 85.467800 reduced_to: 9supercell: lattice: - [ 11.708675560000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.854337780000000, 10.140010459999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.456416740000002 ] # c points: - symbol: F # 1 coordinates: [ 0.425656370000000, 0.074343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.925656370000000, 0.074343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.425656370000000, 0.574343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.925656370000000, 0.574343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.425656370000000, 0.074343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 1 - symbol: F # 6 coordinates: [ 0.925656370000000, 0.074343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 1 - symbol: F # 7 coordinates: [ 0.425656370000000, 0.574343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 1 - symbol: F # 8 coordinates: [ 0.925656370000000, 0.574343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 1 - symbol: F # 9 coordinates: [ 0.425656370000000, 0.074343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 10 coordinates: [ 0.925656370000000, 0.074343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 11 coordinates: [ 0.425656370000000, 0.574343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 12 coordinates: [ 0.925656370000000, 0.574343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 13 coordinates: [ 0.425656370000000, 0.351312735000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.925656370000000, 0.351312735000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.425656370000000, 0.851312735000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.925656370000000, 0.851312735000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.425656370000000, 0.351312735000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 13 - symbol: F # 18 coordinates: [ 0.925656370000000, 0.351312735000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 13 - symbol: F # 19 coordinates: [ 0.425656370000000, 0.851312735000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 13 - symbol: F # 20 coordinates: [ 0.925656370000000, 0.851312735000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 13 - symbol: F # 21 coordinates: [ 0.425656370000000, 0.351312735000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 22 coordinates: [ 0.925656370000000, 0.351312735000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 23 coordinates: [ 0.425656370000000, 0.851312735000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 24 coordinates: [ 0.925656370000000, 0.851312735000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 25 coordinates: [ 0.148687265000000, 0.074343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.648687265000000, 0.074343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.148687265000000, 0.574343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.648687265000000, 0.574343630000000, 0.262508063333333 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.148687265000000, 0.074343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 25 - symbol: F # 30 coordinates: [ 0.648687265000000, 0.074343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 25 - symbol: F # 31 coordinates: [ 0.148687265000000, 0.574343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 25 - symbol: F # 32 coordinates: [ 0.648687265000000, 0.574343630000000, 0.595841396666667 ] mass: 18.998403 reduced_to: 25 - symbol: F # 33 coordinates: [ 0.148687265000000, 0.074343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 34 coordinates: [ 0.648687265000000, 0.074343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 35 coordinates: [ 0.148687265000000, 0.574343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 36 coordinates: [ 0.648687265000000, 0.574343630000000, 0.929174730000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 37 coordinates: [ 0.074343630000000, 0.425656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.574343630000000, 0.425656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.074343630000000, 0.925656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.574343630000000, 0.925656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.074343630000000, 0.425656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 42 coordinates: [ 0.574343630000000, 0.425656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 43 coordinates: [ 0.074343630000000, 0.925656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 44 coordinates: [ 0.574343630000000, 0.925656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 37 - symbol: F # 45 coordinates: [ 0.074343630000000, 0.425656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 46 coordinates: [ 0.574343630000000, 0.425656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 47 coordinates: [ 0.074343630000000, 0.925656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 48 coordinates: [ 0.574343630000000, 0.925656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 37 - symbol: F # 49 coordinates: [ 0.074343630000000, 0.148687265000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.574343630000000, 0.148687265000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.074343630000000, 0.648687265000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.574343630000000, 0.648687265000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.074343630000000, 0.148687265000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 54 coordinates: [ 0.574343630000000, 0.148687265000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 55 coordinates: [ 0.074343630000000, 0.648687265000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 56 coordinates: [ 0.574343630000000, 0.648687265000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 49 - symbol: F # 57 coordinates: [ 0.074343630000000, 0.148687265000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 58 coordinates: [ 0.574343630000000, 0.148687265000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 59 coordinates: [ 0.074343630000000, 0.648687265000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 60 coordinates: [ 0.574343630000000, 0.648687265000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 49 - symbol: F # 61 coordinates: [ 0.351312735000000, 0.425656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.851312735000000, 0.425656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.351312735000000, 0.925656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.851312735000000, 0.925656370000000, 0.070825270000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.351312735000000, 0.425656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 66 coordinates: [ 0.851312735000000, 0.425656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 67 coordinates: [ 0.351312735000000, 0.925656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 68 coordinates: [ 0.851312735000000, 0.925656370000000, 0.404158603333333 ] mass: 18.998403 reduced_to: 61 - symbol: F # 69 coordinates: [ 0.351312735000000, 0.425656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 70 coordinates: [ 0.851312735000000, 0.425656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 71 coordinates: [ 0.351312735000000, 0.925656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 61 - symbol: F # 72 coordinates: [ 0.851312735000000, 0.925656370000000, 0.737491936666667 ] mass: 18.998403 reduced_to: 61 - symbol: Ge # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.333333333333333 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.333333333333333 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.333333333333333 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.666666666666667 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.666666666666667 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.666666666666667 ] mass: 72.640000 reduced_to: 73 - symbol: Rb # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.234017413333333 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.234017413333333 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.234017413333333 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.234017413333333 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 89 coordinates: [ 0.166666665000000, 0.333333335000000, 0.567350746666667 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 90 coordinates: [ 0.666666665000000, 0.333333335000000, 0.567350746666667 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 91 coordinates: [ 0.166666665000000, 0.833333335000000, 0.567350746666667 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 92 coordinates: [ 0.666666665000000, 0.833333335000000, 0.567350746666667 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.900684080000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.900684080000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.900684080000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.900684080000000 ] mass: 85.467800 reduced_to: 85 - symbol: Rb # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.099315920000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.099315920000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.099315920000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.099315920000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.432649253333333 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.432649253333333 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.432649253333333 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.432649253333333 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 105 coordinates: [ 0.333333335000000, 0.166666665000000, 0.765982586666667 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 106 coordinates: [ 0.833333335000000, 0.166666665000000, 0.765982586666667 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 107 coordinates: [ 0.333333335000000, 0.666666665000000, 0.765982586666667 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 108 coordinates: [ 0.833333335000000, 0.666666665000000, 0.765982586666667 ] mass: 85.467800 reduced_to: 97born_effective_charge:- # 1 (F) - [ -1.077811230000000, 0.125811840000000, -0.248225180000000 ] - [ 0.125811840000000, -0.932536230000000, 0.143312870000000 ] - [ -0.253882070000000, 0.146578880000000, -0.949928130000000 ]- # 2 (F) - [ -0.859898730463137, 0.000000000510951, 0.000000004131012 ] - [ 0.000000000023834, -1.150448729536863, -0.286625747155123 ] - [ 0.000000001015985, -0.293157761759737, -0.949928130000000 ]- # 3 (F) - [ -1.077811229536863, -0.125811839780275, 0.248225175868988 ] - [ -0.125811840754509, -0.932536230463137, 0.143312877155123 ] - [ 0.253882068984015, 0.146578881759737, -0.949928130000000 ]- # 4 (F) - [ -1.077811230000000, 0.125811840000000, -0.248225180000000 ] - [ 0.125811840000000, -0.932536230000000, 0.143312870000000 ] - [ -0.253882070000000, 0.146578880000000, -0.949928130000000 ]- # 5 (F) - [ -0.859898730463137, 0.000000000510951, 0.000000004131012 ] - [ 0.000000000023834, -1.150448729536863, -0.286625747155123 ] - [ 0.000000001015985, -0.293157761759737, -0.949928130000000 ]- # 6 (F) - [ -1.077811229536863, -0.125811839780275, 0.248225175868988 ] - [ -0.125811840754509, -0.932536230463137, 0.143312877155123 ] - [ 0.253882068984015, 0.146578881759737, -0.949928130000000 ]- # 7 (Ge) - [ 3.430231600000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.430231600000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.268368910000000 ]- # 8 (Rb) - [ 1.300405400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.300405400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.215599930000000 ]- # 9 (Rb) - [ 1.300405400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.300405400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.215599930000000 ]dielectric_constant: - [ 2.169111390000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.169111400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.114812860000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1010467800000000, 0.0351735900000000, -0.0558044700000000 ] - [ 0.0019837400000000, -0.0002635600000000, 0.0003039600000000 ] - [ 0.0006024700000000, -0.0010601200000000, 0.0001551200000000 ] - [ 0.0000353200000000, 0.0008301900000000, -0.0003437100000000 ] - [ -0.0003801100000000, 0.0000033000000000, 0.0001909300000000 ] - [ 0.0004245000000000, -0.0001123100000000, 0.0001884600000000 ] - [ 0.0001731700000000, -0.0002306800000000, 0.0001209000000000 ] - [ 0.0000729900000000, 0.0000768000000000, 0.0000585200000000 ] - [ -0.0003789400000000, 0.0000035000000000, 0.0001950300000000 ] - [ 0.0004230500000000, -0.0000872700000000, 0.0001108600000000 ] - [ 0.0001717600000000, -0.0002540600000000, 0.0001008800000000 ] - [ 0.0000721100000000, 0.0000769000000000, 0.0000559200000000 ] - [ 0.0003545900000000, -0.0026996200000000, -0.0008603000000000 ] - [ 0.0003027400000000, 0.0008683100000000, 0.0000608700000000 ] - [ 0.0019010400000000, -0.0115453900000000, -0.0002803600000000 ] - [ 0.0009420300000000, 0.0004927300000000, -0.0000452700000000 ] - [ -0.0001023500000000, -0.0002438100000000, -0.0002475100000000 ] - [ 0.0000996200000000, 0.0003077700000000, 0.0002445400000000 ] - [ -0.0001292300000000, 0.0000574600000000, 0.0003342800000000 ] - [ 0.0001271800000000, 0.0001522200000000, -0.0000005700000000 ] - [ -0.0000353700000000, -0.0002804700000000, 0.0002735200000000 ] - [ 0.0000309200000000, 0.0002069700000000, -0.0000234500000000 ] - [ -0.0003198300000000, 0.0001681600000000, 0.0000773900000000 ] - [ 0.0002177800000000, 0.0002356000000000, 0.0001971000000000 ] - [ 0.0039198800000000, 0.0006288900000000, -0.0011243300000000 ] - [ 0.0219262900000000, 0.0001204200000000, 0.0000583400000000 ] - [ -0.0002925300000000, 0.0002160800000000, -0.0001718400000000 ] - [ -0.0002927000000000, -0.0005234200000000, 0.0000448800000000 ] - [ 0.0002256600000000, 0.0001278200000000, -0.0003001800000000 ] - [ -0.0002350700000000, -0.0002195900000000, 0.0006750900000000 ] - [ -0.0001028200000000, -0.0000525500000000, 0.0001132900000000 ] - [ -0.0001428900000000, -0.0001071400000000, 0.0000608300000000 ] - [ 0.0002252000000000, 0.0000507300000000, 0.0003644900000000 ] - [ -0.0002366900000000, 0.0000005600000000, -0.0001296500000000 ] - [ -0.0001430800000000, 0.0000033100000000, 0.0000657900000000 ] - [ -0.0001039500000000, -0.0001902100000000, 0.0001017200000000 ] - [ -0.0000063000000000, 0.0001615000000000, -0.0000487900000000 ] - [ -0.0002608800000000, -0.0003850800000000, 0.0001103400000000 ] - [ 0.0006979500000000, 0.0001673300000000, 0.0006086900000000 ] - [ -0.0006753800000000, 0.0000907900000000, -0.0009567000000000 ] - [ 0.0001445300000000, 0.0001716600000000, -0.0000260600000000 ] - [ -0.0006593000000000, -0.0002246900000000, -0.0003923800000000 ] - [ 0.0006137200000000, 0.0005062400000000, -0.0006299100000000 ] - [ 0.0013947900000000, -0.0019553800000000, 0.0024936900000000 ] - [ 0.0000392100000000, 0.0000240300000000, 0.0001133700000000 ] - [ -0.0001765000000000, 0.0000211600000000, 0.0000442800000000 ] - [ -0.0000376500000000, 0.0001000700000000, 0.0000230800000000 ] - [ -0.0000267100000000, -0.0000576200000000, 0.0002353200000000 ] - [ 0.0006752600000000, -0.0000223400000000, 0.0002051800000000 ] - [ -0.0008960700000000, -0.0000056100000000, -0.0008011600000000 ] - [ -0.0000693900000000, 0.0004090800000000, 0.0003187600000000 ] - [ 0.0000700600000000, -0.0004996900000000, -0.0002048300000000 ] - [ 0.0009324200000000, -0.0003270000000000, -0.0004859700000000 ] - [ 0.0030689700000000, 0.0053131500000000, 0.0129329100000000 ] - [ -0.0001377800000000, 0.0002911500000000, -0.0002065000000000 ] - [ 0.0001452800000000, -0.0006239300000000, -0.0001014300000000 ] - [ 0.0001157400000000, -0.0000699000000000, 0.0000345100000000 ] - [ -0.0001194900000000, -0.0000028600000000, 0.0002337100000000 ] - [ -0.0000104900000000, 0.0000062900000000, 0.0001041900000000 ] - [ 0.0000078100000000, -0.0001439300000000, 0.0000654900000000 ] - [ 0.0001565200000000, -0.0005359400000000, 0.0001912100000000 ] - [ 0.0001555100000000, 0.0003234700000000, -0.0001815300000000 ] - [ -0.0013900300000000, 0.0002951900000000, 0.0008527900000000 ] - [ 0.0006789800000000, 0.0001493400000000, -0.0002146900000000 ] - [ 0.0003196900000000, -0.0005515000000000, -0.0002553600000000 ] - [ 0.0003166900000000, 0.0006842200000000, -0.0001891000000000 ] - [ -0.0060146000000000, 0.0000144700000000, -0.0000410700000000 ] - [ 0.0010151500000000, 0.0001205100000000, -0.0002263000000000 ] - [ 0.0000704500000000, -0.0000473500000000, 0.0000429900000000 ] - [ 0.0000708600000000, 0.0000988100000000, 0.0001150200000000 ] - [ -0.0001144400000000, -0.0000002900000000, 0.0002064800000000 ] - [ 0.0001795000000000, 0.0000478000000000, 0.0000547400000000 ] - [ -0.0017164900000000, -0.0002623500000000, -0.0007220300000000 ] - [ 0.0024904900000000, 0.0000588300000000, 0.0004302400000000 ] - [ -0.0000440400000000, -0.0007097800000000, -0.0000890900000000 ] - [ 0.0000110900000000, 0.0012404900000000, -0.0003360700000000 ] - [ -0.0049671000000000, -0.0009801500000000, 0.0016634400000000 ] - [ 0.0735958300000000, -0.0285488600000000, 0.0399807900000000 ] - [ -0.0001197100000000, -0.0017006100000000, 0.0004353600000000 ] - [ 0.0000395300000000, 0.0031590300000000, 0.0011556600000000 ] - [ -0.0006322500000000, -0.0001317900000000, -0.0000123600000000 ] - [ 0.0006342800000000, 0.0001535600000000, -0.0011463900000000 ] - [ -0.0000835800000000, -0.0002777000000000, -0.0004106400000000 ] - [ 0.0000800500000000, 0.0004542500000000, -0.0000829600000000 ] - [ -0.0008577700000000, 0.0004984700000000, 0.0002338000000000 ] - [ 0.0029524800000000, 0.0009123900000000, 0.0005757500000000 ] - [ 0.0013010400000000, -0.0012019200000000, 0.0004644300000000 ] - [ -0.0015951000000000, 0.0012185900000000, 0.0006217000000000 ] - [ -0.0003275500000000, 0.0001604000000000, 0.0002394600000000 ] - [ 0.0003388200000000, -0.0005810500000000, -0.0004199000000000 ] - [ 0.0003533900000000, -0.0001489600000000, 0.0002108000000000 ] - [ -0.0003581000000000, 0.0002473900000000, -0.0001873300000000 ] - [ -0.0002176200000000, 0.0001160500000000, -0.0000048200000000 ] - [ 0.0002156700000000, -0.0000254600000000, 0.0000430500000000 ] - [ 0.0000860400000000, -0.0001866200000000, -0.0001421900000000 ] - [ -0.0001180100000000, 0.0000823300000000, 0.0001718100000000 ] - [ 0.0000470800000000, 0.0006217600000000, -0.0016048700000000 ] - [ -0.0008671600000000, -0.0004466100000000, 0.0009574100000000 ] - [ 0.0002842500000000, 0.0004464400000000, 0.0004119000000000 ] - [ -0.0002490100000000, -0.0002289000000000, -0.0001867400000000 ] - [ 0.0007532200000000, 0.0005213300000000, 0.0018681300000000 ] - [ -0.0016125000000000, -0.0005245400000000, -0.0010911900000000 ] - [ 0.0001423000000000, 0.0008477200000000, -0.0006085500000000 ] - [ -0.0001193100000000, -0.0002469400000000, -0.0000111300000000 ] - [ 0.0001224900000000, -0.0000136400000000, -0.0003479500000000 ] - [ -0.0001252400000000, -0.0000191900000000, -0.0003172800000000 ] - [ 0.0000037600000000, 0.0000761700000000, -0.0003028400000000 ] - [ -0.0000050800000000, -0.0000544400000000, -0.0002853900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0981927000000000, -0.0333520000000000, 0.0531197600000000 ] - [ -0.0018461400000000, 0.0001818300000000, -0.0002826700000000 ] - [ -0.0004681400000000, 0.0009851800000000, -0.0001381300000000 ] - [ 0.0000988100000000, -0.0009133200000000, 0.0003619400000000 ] - [ 0.0005209100000000, -0.0000857600000000, -0.0001743100000000 ] - [ -0.0002831800000000, 0.0000308900000000, -0.0001678100000000 ] - [ -0.0000300100000000, 0.0001493300000000, -0.0001000800000000 ] - [ 0.0000677300000000, -0.0001563700000000, -0.0000393000000000 ] - [ 0.0005273600000000, -0.0000884300000000, -0.0001691200000000 ] - [ -0.0002838300000000, 0.0000068900000000, -0.0000943400000000 ] - [ -0.0000312200000000, 0.0001741600000000, -0.0000813700000000 ] - [ 0.0000685100000000, -0.0001574700000000, -0.0000361700000000 ] - [ -0.0003481600000000, 0.0028809400000000, 0.0008812800000000 ] - [ -0.0003012200000000, -0.0007013600000000, -0.0000446000000000 ] - [ -0.0019361300000000, 0.0116147200000000, 0.0002823400000000 ] - [ -0.0009412500000000, -0.0003372300000000, 0.0000605000000000 ] - [ 0.0001065200000000, 0.0004121300000000, 0.0002658300000000 ] - [ -0.0000959000000000, -0.0001386300000000, -0.0002259600000000 ] - [ 0.0001314900000000, 0.0001075000000000, -0.0003216600000000 ] - [ -0.0001227100000000, 0.0000182200000000, 0.0000220100000000 ] - [ 0.0000401500000000, 0.0004543800000000, -0.0002545400000000 ] - [ -0.0000275400000000, -0.0000453400000000, 0.0000368200000000 ] - [ 0.0003222100000000, -0.0000003000000000, -0.0000579000000000 ] - [ -0.0002139500000000, -0.0000674400000000, -0.0001795700000000 ] - [ -0.0041209900000000, -0.0007234200000000, 0.0011560600000000 ] - [ -0.0214954700000000, -0.0001881500000000, -0.0000581700000000 ] - [ 0.0001525500000000, -0.0003012400000000, 0.0001910400000000 ] - [ 0.0001530000000000, 0.0004366900000000, -0.0000257800000000 ] - [ -0.0003706600000000, -0.0002165200000000, 0.0003217200000000 ] - [ 0.0000938400000000, 0.0001341400000000, -0.0006602800000000 ] - [ -0.0000375000000000, -0.0000312600000000, -0.0000961400000000 ] - [ 0.0000044500000000, 0.0000235900000000, -0.0000451700000000 ] - [ -0.0003718500000000, -0.0001400900000000, -0.0003464000000000 ] - [ 0.0000866800000000, -0.0000891600000000, 0.0001539300000000 ] - [ 0.0000023300000000, -0.0000881000000000, -0.0000483300000000 ] - [ -0.0000419600000000, 0.0001020600000000, -0.0000798500000000 ] - [ -0.0001322500000000, -0.0000800800000000, 0.0000306500000000 ] - [ 0.0001177900000000, 0.0004699100000000, -0.0001316100000000 ] - [ -0.0008441200000000, -0.0000863200000000, -0.0006337400000000 ] - [ 0.0005256600000000, -0.0000069100000000, 0.0009355800000000 ] - [ -0.0002864400000000, -0.0000874500000000, 0.0000064800000000 ] - [ 0.0005211400000000, 0.0003052400000000, 0.0003723700000000 ] - [ -0.0007533900000000, -0.0004313500000000, 0.0006184100000000 ] - [ -0.0015576600000000, 0.0020334600000000, -0.0025104900000000 ] - [ -0.0001793400000000, 0.0000575800000000, -0.0001322700000000 ] - [ 0.0000407800000000, 0.0000578400000000, -0.0000605400000000 ] - [ -0.0001020200000000, -0.0000201900000000, -0.0000417600000000 ] - [ -0.0001141200000000, 0.0001381100000000, -0.0002557300000000 ] - [ -0.0006798900000000, -0.0001443600000000, -0.0002237400000000 ] - [ 0.0008852300000000, -0.0001669900000000, 0.0007926800000000 ] - [ 0.0000661900000000, -0.0005816500000000, -0.0003401700000000 ] - [ -0.0000734200000000, 0.0003286200000000, 0.0001846800000000 ] - [ -0.0009384100000000, 0.0001619200000000, 0.0004751900000000 ] - [ -0.0031162300000000, -0.0054195000000000, -0.0128370500000000 ] - [ 0.0001363200000000, -0.0004568000000000, 0.0001910900000000 ] - [ -0.0001490900000000, 0.0004602000000000, 0.0000876300000000 ] - [ -0.0001189600000000, -0.0000942700000000, -0.0000498000000000 ] - [ 0.0001158700000000, -0.0001625200000000, -0.0002508300000000 ] - [ 0.0000070500000000, -0.0001715400000000, -0.0001212000000000 ] - [ -0.0000109000000000, -0.0000213500000000, -0.0000819900000000 ] - [ -0.0000111200000000, 0.0006268700000000, -0.0002115700000000 ] - [ -0.0000169600000000, -0.0002380600000000, 0.0001661900000000 ] - [ 0.0015381900000000, -0.0002029200000000, -0.0008584600000000 ] - [ -0.0005366900000000, -0.0000646800000000, 0.0001954900000000 ] - [ -0.0001784400000000, 0.0006399500000000, 0.0002398300000000 ] - [ -0.0001830900000000, -0.0006019100000000, 0.0001763800000000 ] - [ 0.0061447900000000, 0.0001581100000000, -0.0000891800000000 ] - [ -0.0008772900000000, -0.0000389100000000, 0.0002136300000000 ] - [ 0.0000757500000000, 0.0001360200000000, -0.0000633600000000 ] - [ 0.0000744800000000, -0.0000102600000000, -0.0001352800000000 ] - [ 0.0002556400000000, 0.0000852600000000, -0.0002242400000000 ] - [ -0.0000383300000000, 0.0000366100000000, -0.0000709500000000 ] - [ 0.0017220300000000, 0.0002643600000000, 0.0007305400000000 ] - [ -0.0024852800000000, -0.0000644800000000, -0.0004509600000000 ] - [ 0.0000466700000000, 0.0007125500000000, 0.0000911200000000 ] - [ -0.0000136200000000, -0.0012453200000000, 0.0003372300000000 ] - [ 0.0049936800000000, 0.0010007900000000, -0.0016892500000000 ] - [ -0.0709372900000000, 0.0265509800000000, -0.0372672900000000 ] - [ 0.0001247800000000, 0.0016977900000000, -0.0004413100000000 ] - [ -0.0000406800000000, -0.0031702700000000, -0.0011623400000000 ] - [ 0.0006325800000000, 0.0001337600000000, 0.0000108200000000 ] - [ -0.0006320700000000, -0.0001503200000000, 0.0011550900000000 ] - [ 0.0000839900000000, 0.0002754500000000, 0.0004131300000000 ] - [ -0.0000817600000000, -0.0004561200000000, 0.0000843900000000 ] - [ 0.0008627200000000, -0.0005061500000000, 0.0000919500000000 ] - [ -0.0029337300000000, -0.0008561000000000, -0.0002585000000000 ] - [ -0.0013457200000000, 0.0011523300000000, -0.0001530000000000 ] - [ 0.0016006000000000, -0.0012104300000000, -0.0002957300000000 ] - [ 0.0003298400000000, -0.0001635000000000, 0.0000851600000000 ] - [ -0.0003374000000000, 0.0005825200000000, 0.0007481600000000 ] - [ -0.0003585500000000, 0.0001468700000000, 0.0001201100000000 ] - [ 0.0003630900000000, -0.0002479000000000, 0.0005130500000000 ] - [ 0.0002201100000000, -0.0001182100000000, 0.0003322300000000 ] - [ -0.0002144200000000, 0.0000258300000000, 0.0002817700000000 ] - [ -0.0000858300000000, 0.0001867100000000, 0.0004686500000000 ] - [ 0.0001216800000000, -0.0000829800000000, 0.0001545800000000 ] - [ -0.0000808900000000, -0.0006094200000000, 0.0012526800000000 ] - [ 0.0008690700000000, 0.0004444500000000, -0.0012746200000000 ] - [ -0.0002851600000000, -0.0004499300000000, -0.0007387100000000 ] - [ 0.0002486700000000, 0.0002339300000000, -0.0001371800000000 ] - [ -0.0007884200000000, -0.0005080300000000, -0.0021744900000000 ] - [ 0.0016154000000000, 0.0005235600000000, 0.0007586000000000 ] - [ -0.0001396700000000, -0.0008569200000000, 0.0002849700000000 ] - [ 0.0001183100000000, 0.0002509400000000, -0.0003153500000000 ] - [ -0.0001251500000000, 0.0000148800000000, 0.0000238300000000 ] - [ 0.0001258500000000, 0.0000200900000000, -0.0000071800000000 ] - [ -0.0000050200000000, -0.0000763800000000, -0.0000209400000000 ] - [ 0.0000034400000000, 0.0000559500000000, -0.0000391300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0554060900000000, 0.0319887200000000, -0.0827733300000000 ] - [ 0.0003654600000000, -0.0000398500000000, -0.0003637100000000 ] - [ 0.0002172400000000, -0.0002965800000000, -0.0003637100000000 ] - [ -0.0002739400000000, 0.0001581600000000, -0.0006160300000000 ] - [ 0.0002630200000000, -0.0001518500000000, 0.0011664200000000 ] - [ 0.0001745600000000, -0.0000897600000000, 0.0002573500000000 ] - [ 0.0001650100000000, -0.0001062900000000, 0.0002573500000000 ] - [ 0.0001245800000000, -0.0000719200000000, 0.0002236200000000 ] - [ 0.0002538600000000, -0.0001465700000000, 0.0011574600000000 ] - [ 0.0002469600000000, -0.0000659200000000, 0.0002574600000000 ] - [ 0.0001805700000000, -0.0001809200000000, 0.0002574600000000 ] - [ 0.0001256300000000, -0.0000725300000000, 0.0002225800000000 ] - [ 0.0002690100000000, -0.0010686100000000, -0.0012997300000000 ] - [ -0.0000880800000000, 0.0000771200000000, -0.0004699400000000 ] - [ -0.0003637800000000, 0.0000155200000000, -0.0047890200000000 ] - [ 0.0002340500000000, 0.0000126500000000, -0.0004704200000000 ] - [ -0.0000884300000000, 0.0004484800000000, 0.0004464100000000 ] - [ 0.0001011000000000, 0.0002541500000000, 0.0002959600000000 ] - [ 0.0002118200000000, 0.0000443400000000, 0.0008291700000000 ] - [ -0.0000862800000000, 0.0001044400000000, 0.0001972600000000 ] - [ 0.0000557100000000, -0.0002382400000000, 0.0004441200000000 ] - [ -0.0000585500000000, 0.0001148300000000, 0.0001967000000000 ] - [ -0.0003338500000000, 0.0006555500000000, 0.0008275100000000 ] - [ 0.0001313500000000, 0.0002781300000000, 0.0002915200000000 ] - [ 0.0010599500000000, 0.0003013300000000, -0.0012997300000000 ] - [ -0.0001953300000000, 0.0003072800000000, -0.0047890200000000 ] - [ -0.0001108200000000, 0.0000377200000000, -0.0004699400000000 ] - [ 0.0001060700000000, -0.0002090100000000, -0.0004704200000000 ] - [ -0.0004326100000000, -0.0001476500000000, 0.0004464100000000 ] - [ 0.0000675100000000, -0.0002056100000000, 0.0008291700000000 ] - [ -0.0001695500000000, -0.0002146300000000, 0.0002959600000000 ] - [ -0.0001335900000000, 0.0000225000000000, 0.0001972600000000 ] - [ 0.0002341800000000, 0.0000708700000000, 0.0004441200000000 ] - [ -0.0007346500000000, -0.0000386500000000, 0.0008275100000000 ] - [ -0.0001287200000000, -0.0000067100000000, 0.0001967000000000 ] - [ -0.0001751900000000, -0.0002528100000000, 0.0002915200000000 ] - [ -0.0001134000000000, 0.0000654700000000, -0.0000338700000000 ] - [ 0.0000446100000000, -0.0006004500000000, 0.0002943800000000 ] - [ 0.0005423100000000, 0.0002615900000000, 0.0002943800000000 ] - [ -0.0010166700000000, 0.0005869700000000, -0.0000530600000000 ] - [ -0.0000888300000000, 0.0000512800000000, -0.0003251700000000 ] - [ -0.0004573500000000, 0.0005441000000000, -0.0007582700000000 ] - [ -0.0006998800000000, 0.0001240300000000, -0.0007582700000000 ] - [ 0.0024235000000000, -0.0013992100000000, 0.0000146600000000 ] - [ 0.0000452400000000, -0.0000261200000000, 0.0003103400000000 ] - [ -0.0000245900000000, 0.0000413600000000, 0.0003862800000000 ] - [ -0.0000481200000000, 0.0000006100000000, 0.0003862800000000 ] - [ 0.0001772600000000, -0.0001023400000000, 0.0006317600000000 ] - [ 0.0004958400000000, -0.0000010500000000, 0.0001040600000000 ] - [ -0.0016364000000000, -0.0000512900000000, 0.0028579000000000 ] - [ 0.0000138900000000, 0.0001545200000000, 0.0001066100000000 ] - [ 0.0000067600000000, -0.0003181600000000, -0.0000813500000000 ] - [ -0.0000198400000000, -0.0003111900000000, -0.0005867500000000 ] - [ 0.0129980200000000, 0.0074470500000000, 0.0147746200000000 ] - [ -0.0002352800000000, -0.0005123400000000, -0.0005869700000000 ] - [ 0.0001241200000000, -0.0002663100000000, -0.0003464100000000 ] - [ -0.0000154000000000, 0.0000483900000000, 0.0003507200000000 ] - [ 0.0000276500000000, 0.0001809900000000, 0.0007293900000000 ] - [ -0.0000098200000000, -0.0000382300000000, 0.0003473100000000 ] - [ 0.0000091100000000, -0.0000080000000000, 0.0002972400000000 ] - [ 0.0002488300000000, -0.0004288900000000, 0.0001040600000000 ] - [ -0.0001268700000000, -0.0000892900000000, 0.0001066100000000 ] - [ -0.0007737900000000, 0.0014428100000000, 0.0028579000000000 ] - [ 0.0002789100000000, 0.0001532300000000, -0.0000813500000000 ] - [ 0.0002595800000000, 0.0001727800000000, -0.0005867500000000 ] - [ 0.0003260600000000, 0.0004599300000000, -0.0005869700000000 ] - [ 0.0000496700000000, -0.0149801400000000, 0.0147746200000000 ] - [ 0.0002926900000000, 0.0000256700000000, -0.0003464100000000 ] - [ -0.0000496100000000, -0.0000108600000000, 0.0003507200000000 ] - [ 0.0000282000000000, 0.0000276200000000, 0.0003473100000000 ] - [ -0.0001429100000000, -0.0001144300000000, 0.0007293900000000 ] - [ 0.0000114800000000, -0.0000038900000000, 0.0002972400000000 ] - [ -0.0010956700000000, -0.0003664800000000, -0.0007705300000000 ] - [ 0.0026453500000000, -0.0015272900000000, -0.0043620900000000 ] - [ 0.0001888600000000, -0.0001090400000000, -0.0004778900000000 ] - [ -0.0002304500000000, 0.0011321100000000, -0.0007705300000000 ] - [ -0.0006382100000000, -0.0002585700000000, 0.0023405900000000 ] - [ 0.0407811200000000, -0.0235449900000000, 0.0556490500000000 ] - [ 0.0002052000000000, -0.0001184700000000, 0.0019023900000000 ] - [ -0.0000951700000000, 0.0006819900000000, 0.0023405900000000 ] - [ 0.0002250300000000, 0.0000749700000000, -0.0010925100000000 ] - [ -0.0003581400000000, 0.0002067700000000, -0.0028986100000000 ] - [ -0.0000432200000000, 0.0000249500000000, -0.0010358300000000 ] - [ 0.0000475800000000, -0.0002323700000000, -0.0010925100000000 ] - [ -0.0003145800000000, 0.0001816200000000, 0.0007248100000000 ] - [ 0.0008659600000000, 0.0006943700000000, 0.0020396400000000 ] - [ -0.0001683600000000, -0.0010971300000000, 0.0020396400000000 ] - [ -0.0002292700000000, 0.0001323700000000, 0.0008709200000000 ] - [ 0.0000730600000000, -0.0000421800000000, -0.0000143000000000 ] - [ -0.0000305700000000, -0.0008979100000000, -0.0007483700000000 ] - [ 0.0007623300000000, 0.0004754300000000, -0.0007483700000000 ] - [ -0.0003463900000000, 0.0001999900000000, -0.0001350200000000 ] - [ -0.0001543200000000, 0.0000891000000000, -0.0002602500000000 ] - [ 0.0001552900000000, 0.0003034000000000, -0.0005388600000000 ] - [ -0.0001851100000000, -0.0002861800000000, -0.0005388600000000 ] - [ 0.0001170800000000, -0.0000676000000000, -0.0002506600000000 ] - [ -0.0009178000000000, 0.0005298900000000, -0.0002064600000000 ] - [ 0.0004208600000000, 0.0000523000000000, 0.0001812500000000 ] - [ 0.0001651300000000, -0.0003906300000000, 0.0001812500000000 ] - [ -0.0000746300000000, 0.0000430900000000, -0.0000538400000000 ] - [ 0.0010806700000000, -0.0006239200000000, 0.0015975100000000 ] - [ -0.0012396300000000, -0.0002454600000000, -0.0000414200000000 ] - [ -0.0004072400000000, 0.0011962800000000, -0.0000414200000000 ] - [ 0.0000439500000000, -0.0000253700000000, 0.0001288100000000 ] - [ 0.0000465500000000, -0.0000268800000000, -0.0009224600000000 ] - [ -0.0000481300000000, -0.0000032700000000, -0.0007041500000000 ] - [ -0.0000212300000000, 0.0000433200000000, -0.0007041500000000 ] - [ 0.0000209400000000, -0.0000120900000000, -0.0005915700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0535171400000000, -0.0308981300000000, 0.0814565900000000 ] - [ -0.0002174000000000, -0.0000484900000000, 0.0003907700000000 ] - [ -0.0000667000000000, 0.0002125200000000, 0.0003907700000000 ] - [ 0.0004309500000000, -0.0002488100000000, 0.0006452200000000 ] - [ -0.0001047200000000, 0.0000604600000000, -0.0011359300000000 ] - [ -0.0000274100000000, 0.0000043400000000, -0.0002371200000000 ] - [ -0.0000174600000000, 0.0000215600000000, -0.0002371200000000 ] - [ 0.0000279700000000, -0.0000161500000000, -0.0001975900000000 ] - [ -0.0001039800000000, 0.0000600400000000, -0.0011395800000000 ] - [ -0.0001021200000000, -0.0000175600000000, -0.0002340100000000 ] - [ -0.0000358500000000, 0.0000972200000000, -0.0002340100000000 ] - [ 0.0000288700000000, -0.0000166700000000, -0.0001973900000000 ] - [ -0.0002625900000000, 0.0012502500000000, 0.0013324400000000 ] - [ 0.0000907200000000, 0.0000978600000000, 0.0004919200000000 ] - [ 0.0003089100000000, 0.0002726400000000, 0.0048063900000000 ] - [ -0.0002310900000000, 0.0001666100000000, 0.0004948000000000 ] - [ 0.0000929900000000, -0.0002712100000000, -0.0004244400000000 ] - [ -0.0000962800000000, -0.0000754700000000, -0.0002727300000000 ] - [ -0.0002055200000000, 0.0001351200000000, -0.0008074200000000 ] - [ 0.0000906400000000, 0.0000742900000000, -0.0001733300000000 ] - [ -0.0000532200000000, 0.0004212400000000, -0.0004216700000000 ] - [ 0.0000651700000000, 0.0000701000000000, -0.0001687600000000 ] - [ 0.0003425400000000, -0.0004873800000000, -0.0008121100000000 ] - [ -0.0001290700000000, -0.0001081800000000, -0.0002727100000000 ] - [ -0.0012140500000000, -0.0003977200000000, 0.0013324400000000 ] - [ -0.0000816600000000, -0.0004038400000000, 0.0048063900000000 ] - [ -0.0000393900000000, -0.0001275000000000, 0.0004919200000000 ] - [ -0.0002598300000000, 0.0001168200000000, 0.0004948000000000 ] - [ 0.0002813700000000, 0.0000550800000000, -0.0004244400000000 ] - [ -0.0002197800000000, 0.0001104300000000, -0.0008074200000000 ] - [ 0.0000172200000000, 0.0001211100000000, -0.0002727300000000 ] - [ -0.0000190200000000, -0.0001156400000000, -0.0001733300000000 ] - [ -0.0003914100000000, -0.0001645300000000, -0.0004216700000000 ] - [ 0.0005933600000000, -0.0000529500000000, -0.0008121100000000 ] - [ -0.0000281200000000, -0.0000914900000000, -0.0001687600000000 ] - [ 0.0000291500000000, 0.0001658700000000, -0.0002727100000000 ] - [ -0.0000412500000000, 0.0000238100000000, 0.0000046000000000 ] - [ -0.0001963100000000, 0.0006936100000000, -0.0003182200000000 ] - [ -0.0006988400000000, -0.0001768000000000, -0.0003182200000000 ] - [ 0.0008769400000000, -0.0005063000000000, 0.0000366500000000 ] - [ -0.0000636400000000, 0.0000367400000000, 0.0002989100000000 ] - [ 0.0003026300000000, -0.0004552400000000, 0.0007293400000000 ] - [ 0.0005455600000000, -0.0000344700000000, 0.0007293400000000 ] - [ -0.0025805100000000, 0.0014898600000000, -0.0000638700000000 ] - [ -0.0001993700000000, 0.0001151100000000, -0.0003376800000000 ] - [ -0.0001330300000000, 0.0000517700000000, -0.0004181500000000 ] - [ -0.0001113500000000, 0.0000893200000000, -0.0004181500000000 ] - [ -0.0003231700000000, 0.0001865800000000, -0.0006566200000000 ] - [ -0.0005053600000000, -0.0001859700000000, -0.0001301600000000 ] - [ 0.0016642100000000, -0.0001210200000000, -0.0029227400000000 ] - [ -0.0000154500000000, -0.0003320600000000, -0.0001264000000000 ] - [ -0.0000110400000000, 0.0001414900000000, 0.0000624900000000 ] - [ 0.0000152500000000, 0.0001270300000000, 0.0005602000000000 ] - [ -0.0127314400000000, -0.0074592100000000, -0.0145278900000000 ] - [ 0.0002319600000000, 0.0003274200000000, 0.0005597000000000 ] - [ -0.0001280800000000, 0.0000857200000000, 0.0003207200000000 ] - [ 0.0000117800000000, -0.0002258000000000, -0.0003722900000000 ] - [ -0.0000295800000000, -0.0003576900000000, -0.0007532100000000 ] - [ 0.0000071200000000, -0.0001486500000000, -0.0003740100000000 ] - [ -0.0000110500000000, -0.0001669400000000, -0.0003179100000000 ] - [ -0.0000916300000000, 0.0005306400000000, -0.0001301600000000 ] - [ 0.0002798500000000, 0.0001794100000000, -0.0001264000000000 ] - [ 0.0009369100000000, -0.0013807400000000, -0.0029227400000000 ] - [ -0.0001280500000000, -0.0000611800000000, 0.0000624900000000 ] - [ -0.0001023800000000, -0.0000767200000000, 0.0005602000000000 ] - [ -0.0001675700000000, -0.0003645900000000, 0.0005597000000000 ] - [ 0.0000941400000000, 0.0147553600000000, -0.0145278900000000 ] - [ -0.0001382700000000, 0.0000680600000000, 0.0003207200000000 ] - [ 0.0002014400000000, 0.0001027000000000, -0.0003722900000000 ] - [ 0.0001322900000000, 0.0000681600000000, -0.0003740100000000 ] - [ 0.0002949800000000, 0.0002044600000000, -0.0007532100000000 ] - [ 0.0001390500000000, 0.0000930400000000, -0.0003179100000000 ] - [ 0.0011095500000000, 0.0003624400000000, 0.0007559300000000 ] - [ -0.0026768300000000, 0.0015454700000000, 0.0043833200000000 ] - [ -0.0002030300000000, 0.0001172200000000, 0.0004850500000000 ] - [ 0.0002408900000000, -0.0011421200000000, 0.0007559300000000 ] - [ 0.0006443000000000, 0.0002578000000000, -0.0023454500000000 ] - [ -0.0387676300000000, 0.0223825000000000, -0.0546939300000000 ] - [ -0.0002027400000000, 0.0001170500000000, -0.0019011100000000 ] - [ 0.0000988900000000, -0.0006868900000000, -0.0023454500000000 ] - [ -0.0002292500000000, -0.0000670100000000, 0.0010924900000000 ] - [ 0.0003550100000000, -0.0002049600000000, 0.0029168600000000 ] - [ 0.0000441900000000, -0.0000255100000000, 0.0010267600000000 ] - [ -0.0000565900000000, 0.0002320400000000, 0.0010924900000000 ] - [ 0.0003195400000000, -0.0001844900000000, -0.0004043000000000 ] - [ -0.0008727900000000, -0.0006956600000000, -0.0017243700000000 ] - [ 0.0001660700000000, 0.0011036900000000, -0.0017243700000000 ] - [ 0.0002425600000000, -0.0001400400000000, -0.0005517200000000 ] - [ -0.0000702400000000, 0.0000405500000000, 0.0003419700000000 ] - [ 0.0000327500000000, 0.0008940400000000, 0.0010735700000000 ] - [ -0.0007578900000000, -0.0004753800000000, 0.0010735700000000 ] - [ 0.0003498000000000, -0.0002019600000000, 0.0004642500000000 ] - [ 0.0001598600000000, -0.0000922900000000, 0.0005867900000000 ] - [ -0.0001564200000000, -0.0003083900000000, 0.0008670100000000 ] - [ 0.0001888600000000, 0.0002896600000000, 0.0008670100000000 ] - [ -0.0001161700000000, 0.0000670700000000, 0.0005773400000000 ] - [ 0.0008731300000000, -0.0005041000000000, -0.0001851700000000 ] - [ -0.0004216400000000, -0.0000509000000000, -0.0005163800000000 ] - [ -0.0001667400000000, 0.0003906000000000, -0.0005163800000000 ] - [ 0.0000733000000000, -0.0000423200000000, -0.0002755200000000 ] - [ -0.0011330000000000, 0.0006541400000000, -0.0018406800000000 ] - [ 0.0012389100000000, 0.0002500600000000, -0.0002760700000000 ] - [ 0.0004028900000000, -0.0011979600000000, -0.0002760700000000 ] - [ -0.0000445400000000, 0.0000257100000000, -0.0004520200000000 ] - [ -0.0000465700000000, 0.0000268900000000, 0.0006007300000000 ] - [ 0.0000458300000000, 0.0000028200000000, 0.0003799600000000 ] - [ 0.0000204700000000, -0.0000411100000000, 0.0003799600000000 ] - [ -0.0000218300000000, 0.0000126000000000, 0.0002676900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016416800000000, 0.0002013800000000, -0.0010981800000000 ] - [ 0.0025523800000000, 0.0000186200000000, 0.0026796500000000 ] - [ 0.0000277200000000, -0.0007489400000000, 0.0002057600000000 ] - [ 0.0000887400000000, 0.0006868800000000, -0.0002231600000000 ] - [ -0.0005565300000000, 0.0000027700000000, 0.0002329200000000 ] - [ 0.0007044400000000, 0.0001062800000000, -0.0003438900000000 ] - [ -0.0000070000000000, -0.0003182100000000, -0.0000284500000000 ] - [ 0.0001481200000000, 0.0002346000000000, 0.0000594200000000 ] - [ -0.0049014600000000, 0.0002186600000000, -0.0006302200000000 ] - [ 0.0709871800000000, -0.0266198600000000, 0.0384810300000000 ] - [ -0.0000435700000000, -0.0017346000000000, 0.0002133100000000 ] - [ 0.0001161700000000, 0.0018621900000000, -0.0000919400000000 ] - [ -0.0000043300000000, -0.0011708600000000, -0.0008666300000000 ] - [ -0.0000055600000000, 0.0013341700000000, 0.0008771400000000 ] - [ -0.0012679800000000, 0.0000845300000000, 0.0000061300000000 ] - [ 0.0025897000000000, 0.0000903100000000, 0.0000138700000000 ] - [ 0.0000030100000000, -0.0004102100000000, 0.0001809100000000 ] - [ 0.0000020700000000, 0.0005862800000000, -0.0001615000000000 ] - [ -0.0005583200000000, 0.0000878200000000, 0.0000112100000000 ] - [ 0.0008911100000000, 0.0000850400000000, 0.0000075300000000 ] - [ -0.0005850700000000, -0.0034412300000000, -0.0005345700000000 ] - [ -0.0005868700000000, 0.0036076100000000, 0.0005546300000000 ] - [ -0.0030523900000000, 0.0000920600000000, 0.0000115300000000 ] - [ 0.0245551500000000, 0.0003627900000000, 0.0002015700000000 ] - [ 0.0024135900000000, -0.0001046200000000, -0.0026594700000000 ] - [ -0.0017864000000000, -0.0002860000000000, 0.0011117200000000 ] - [ -0.0001164300000000, 0.0006635000000000, -0.0001890900000000 ] - [ -0.0000650500000000, -0.0007792200000000, 0.0002468000000000 ] - [ 0.0005572800000000, -0.0001942600000000, 0.0003625900000000 ] - [ -0.0007003500000000, -0.0000879000000000, -0.0002145000000000 ] - [ -0.0001558200000000, 0.0002324200000000, 0.0000500300000000 ] - [ 0.0000053200000000, -0.0003176300000000, -0.0000432300000000 ] - [ 0.0735229200000000, 0.0284762500000000, -0.0411050200000000 ] - [ -0.0050420000000000, -0.0003126300000000, 0.0006577000000000 ] - [ -0.0001917100000000, 0.0016559100000000, -0.0001953300000000 ] - [ -0.0000386200000000, -0.0019508600000000, 0.0001129000000000 ] - [ -0.0000386200000000, 0.0019508600000000, -0.0001129000000000 ] - [ -0.0001917100000000, -0.0016559100000000, 0.0001953300000000 ] - [ 0.0735229200000000, -0.0284762500000000, 0.0411050200000000 ] - [ -0.0050420000000000, 0.0003126300000000, -0.0006577000000000 ] - [ 0.0000053200000000, 0.0003176300000000, 0.0000432300000000 ] - [ -0.0001558200000000, -0.0002324200000000, -0.0000500300000000 ] - [ 0.0005572800000000, 0.0001942600000000, -0.0003625900000000 ] - [ -0.0007003500000000, 0.0000879000000000, 0.0002145000000000 ] - [ -0.0000650500000000, 0.0007792200000000, -0.0002468000000000 ] - [ -0.0001164300000000, -0.0006635000000000, 0.0001890900000000 ] - [ 0.0024135900000000, 0.0001046200000000, 0.0026594700000000 ] - [ -0.0017864000000000, 0.0002860000000000, -0.0011117200000000 ] - [ 0.0245551500000000, -0.0003627900000000, -0.0002015700000000 ] - [ -0.0030523900000000, -0.0000920600000000, -0.0000115300000000 ] - [ -0.0005850700000000, 0.0034412300000000, 0.0005345700000000 ] - [ -0.0005868700000000, -0.0036076100000000, -0.0005546300000000 ] - [ 0.0008911100000000, -0.0000850400000000, -0.0000075300000000 ] - [ -0.0005583200000000, -0.0000878200000000, -0.0000112100000000 ] - [ 0.0000030100000000, 0.0004102100000000, -0.0001809100000000 ] - [ 0.0000020700000000, -0.0005862800000000, 0.0001615000000000 ] - [ 0.0025897000000000, -0.0000903100000000, -0.0000138700000000 ] - [ -0.0012679800000000, -0.0000845300000000, -0.0000061300000000 ] - [ -0.0000043300000000, 0.0011708600000000, 0.0008666300000000 ] - [ -0.0000055600000000, -0.0013341700000000, -0.0008771400000000 ] - [ 0.0001161700000000, -0.0018621900000000, 0.0000919400000000 ] - [ -0.0000435700000000, 0.0017346000000000, -0.0002133100000000 ] - [ -0.0049014600000000, -0.0002186600000000, 0.0006302200000000 ] - [ 0.0709871800000000, 0.0266198600000000, -0.0384810300000000 ] - [ 0.0001481200000000, -0.0002346000000000, -0.0000594200000000 ] - [ -0.0000070000000000, 0.0003182100000000, 0.0000284500000000 ] - [ -0.0005565300000000, -0.0000027700000000, -0.0002329200000000 ] - [ 0.0007044400000000, -0.0001062800000000, 0.0003438900000000 ] - [ 0.0000887400000000, -0.0006868800000000, 0.0002231600000000 ] - [ 0.0000277200000000, 0.0007489400000000, -0.0002057600000000 ] - [ -0.0016416800000000, -0.0002013800000000, 0.0010981800000000 ] - [ 0.0025523800000000, -0.0000186200000000, -0.0026796500000000 ] - [ -0.3549058600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0146580000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001832200000000, -0.0083536800000000, -0.0009005700000000 ] - [ 0.0001832200000000, 0.0083536800000000, 0.0009005700000000 ] - [ -0.0064459300000000, -0.0000012200000000, -0.0000076200000000 ] - [ 0.0038718100000000, -0.0000031200000000, 0.0000062100000000 ] - [ 0.0000483300000000, -0.0022054100000000, -0.0001281500000000 ] - [ 0.0000466700000000, 0.0022092600000000, 0.0001304900000000 ] - [ -0.0064459300000000, 0.0000012200000000, 0.0000076200000000 ] - [ 0.0038718100000000, 0.0000031200000000, -0.0000062100000000 ] - [ 0.0000466700000000, -0.0022092600000000, -0.0001304900000000 ] - [ 0.0000483300000000, 0.0022054100000000, 0.0001281500000000 ] - [ -0.0011293200000000, -0.0000052100000000, 0.0001579000000000 ] - [ 0.0010408400000000, 0.0000025500000000, 0.0001647500000000 ] - [ 0.0021672700000000, -0.0019076600000000, 0.0041257800000000 ] - [ 0.0021736000000000, 0.0019030800000000, -0.0037965100000000 ] - [ -0.0003513200000000, -0.0000011500000000, 0.0001626700000000 ] - [ 0.0003453000000000, 0.0000001200000000, 0.0001630900000000 ] - [ 0.0000610900000000, -0.0002392300000000, -0.0001262100000000 ] - [ 0.0000634300000000, 0.0002385300000000, 0.0004509000000000 ] - [ -0.0058690300000000, -0.0000168600000000, 0.0001700300000000 ] - [ 0.0015185000000000, 0.0000038700000000, 0.0001604400000000 ] - [ 0.0072850800000000, -0.0076130000000000, -0.0056143500000000 ] - [ 0.0072566200000000, 0.0075607800000000, 0.0058976300000000 ] - [ 0.0072850800000000, 0.0076130000000000, 0.0056143500000000 ] - [ 0.0072566200000000, -0.0075607800000000, -0.0058976300000000 ] - [ 0.0015185000000000, -0.0000038700000000, -0.0001604400000000 ] - [ -0.0058690300000000, 0.0000168600000000, -0.0001700300000000 ] - [ 0.0000610900000000, 0.0002392300000000, 0.0001262100000000 ] - [ 0.0000634300000000, -0.0002385300000000, -0.0004509000000000 ] - [ 0.0003453000000000, -0.0000001200000000, -0.0001630900000000 ] - [ -0.0003513200000000, 0.0000011500000000, -0.0001626700000000 ] - [ 0.0021672700000000, 0.0019076600000000, -0.0041257800000000 ] - [ 0.0021736000000000, -0.0019030800000000, 0.0037965100000000 ] - [ 0.0010408400000000, -0.0000025500000000, -0.0001647500000000 ] - [ -0.0011293200000000, 0.0000052100000000, -0.0001579000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006563200000000, -0.0000725000000000, -0.0007539100000000 ] - [ 0.0005164900000000, -0.0002981900000000, -0.0043786600000000 ] - [ -0.0000196300000000, 0.0000113400000000, -0.0004787400000000 ] - [ -0.0002653700000000, 0.0006046400000000, -0.0007539100000000 ] - [ 0.0000556900000000, 0.0000487900000000, -0.0010917800000000 ] - [ -0.0010744900000000, 0.0006203500000000, -0.0029041900000000 ] - [ -0.0003345200000000, 0.0001931400000000, -0.0010285900000000 ] - [ -0.0000144100000000, -0.0000726200000000, -0.0010917800000000 ] - [ 0.0017463800000000, -0.0004108700000000, 0.0023563900000000 ] - [ 0.0377313000000000, -0.0217841800000000, 0.0547202400000000 ] - [ 0.0005027500000000, -0.0002902600000000, 0.0019097300000000 ] - [ 0.0012290100000000, -0.0013069700000000, 0.0023563900000000 ] - [ -0.0003909500000000, -0.0005321400000000, -0.0007539100000000 ] - [ 0.0003909500000000, -0.0005321400000000, -0.0007539100000000 ] - [ 0.0000000000000000, -0.0000226700000000, -0.0004787400000000 ] - [ 0.0000000000000000, 0.0005963900000000, -0.0043786600000000 ] - [ 0.0000701000000000, 0.0000238300000000, -0.0010917800000000 ] - [ -0.0000701000000000, 0.0000238300000000, -0.0010917800000000 ] - [ 0.0000000000000000, -0.0003862800000000, -0.0010285900000000 ] - [ 0.0000000000000000, -0.0012407100000000, -0.0029041900000000 ] - [ 0.0005173700000000, 0.0017178400000000, 0.0023563900000000 ] - [ -0.0005173700000000, 0.0017178400000000, 0.0023563900000000 ] - [ 0.0000000000000000, 0.0005805200000000, 0.0019097300000000 ] - [ 0.0000000000000000, 0.0435683600000000, 0.0547202400000000 ] - [ -0.0005164900000000, -0.0002981900000000, -0.0043786600000000 ] - [ 0.0006563200000000, -0.0000725000000000, -0.0007539100000000 ] - [ 0.0000196300000000, 0.0000113400000000, -0.0004787400000000 ] - [ 0.0002653700000000, 0.0006046400000000, -0.0007539100000000 ] - [ 0.0010744900000000, 0.0006203500000000, -0.0029041900000000 ] - [ -0.0000556900000000, 0.0000487900000000, -0.0010917800000000 ] - [ 0.0003345200000000, 0.0001931400000000, -0.0010285900000000 ] - [ 0.0000144100000000, -0.0000726200000000, -0.0010917800000000 ] - [ -0.0377313000000000, -0.0217841800000000, 0.0547202400000000 ] - [ -0.0017463800000000, -0.0004108700000000, 0.0023563900000000 ] - [ -0.0005027500000000, -0.0002902600000000, 0.0019097300000000 ] - [ -0.0012290100000000, -0.0013069700000000, 0.0023563900000000 ] - [ 0.0010916000000000, -0.0012255200000000, 0.0023422300000000 ] - [ 0.0003689400000000, -0.0002130100000000, 0.0018964200000000 ] - [ 0.0394948000000000, -0.0228023400000000, 0.0556391300000000 ] - [ 0.0016071300000000, -0.0003325900000000, 0.0023422300000000 ] - [ -0.0001468000000000, 0.0000027700000000, -0.0011006900000000 ] - [ -0.0004767600000000, 0.0002752600000000, -0.0010455100000000 ] - [ -0.0012155900000000, 0.0007018200000000, -0.0029245600000000 ] - [ -0.0000758000000000, 0.0001257500000000, -0.0011006900000000 ] - [ -0.0004071100000000, 0.0006858200000000, -0.0007783300000000 ] - [ -0.0001554500000000, 0.0000897500000000, -0.0004972200000000 ] - [ 0.0003637600000000, -0.0002100200000000, -0.0043724100000000 ] - [ -0.0007974900000000, 0.0000096600000000, -0.0007783300000000 ] - [ 0.0000000000000000, 0.0456046700000000, 0.0556391300000000 ] - [ 0.0000000000000000, 0.0004260100000000, 0.0018964200000000 ] - [ -0.0005155300000000, 0.0015581100000000, 0.0023422300000000 ] - [ 0.0005155300000000, 0.0015581100000000, 0.0023422300000000 ] - [ 0.0000000000000000, -0.0014036400000000, -0.0029245600000000 ] - [ 0.0000000000000000, -0.0005505200000000, -0.0010455100000000 ] - [ -0.0000710000000000, -0.0001285200000000, -0.0011006900000000 ] - [ 0.0000710000000000, -0.0001285200000000, -0.0011006900000000 ] - [ 0.0000000000000000, 0.0004200300000000, -0.0043724100000000 ] - [ 0.0000000000000000, -0.0001795000000000, -0.0004972200000000 ] - [ 0.0003903800000000, -0.0006954800000000, -0.0007783300000000 ] - [ -0.0003903800000000, -0.0006954800000000, -0.0007783300000000 ] - [ -0.0010916000000000, -0.0012255200000000, 0.0023422300000000 ] - [ -0.0003689400000000, -0.0002130100000000, 0.0018964200000000 ] - [ -0.0016071300000000, -0.0003325900000000, 0.0023422300000000 ] - [ -0.0394948000000000, -0.0228023400000000, 0.0556391300000000 ] - [ 0.0001468000000000, 0.0000027700000000, -0.0011006900000000 ] - [ 0.0004767600000000, 0.0002752600000000, -0.0010455100000000 ] - [ 0.0000758000000000, 0.0001257500000000, -0.0011006900000000 ] - [ 0.0012155900000000, 0.0007018200000000, -0.0029245600000000 ] - [ 0.0004071100000000, 0.0006858200000000, -0.0007783300000000 ] - [ 0.0001554500000000, 0.0000897500000000, -0.0004972200000000 ] - [ 0.0007974900000000, 0.0000096600000000, -0.0007783300000000 ] - [ -0.0003637600000000, -0.0002100200000000, -0.0043724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3230343500000000 ] - [ 0.0000000000000000, 0.0010420100000000, -0.0086776600000000 ] - [ -0.0009024100000000, -0.0005210100000000, -0.0086776600000000 ] - [ 0.0009024100000000, -0.0005210100000000, -0.0086776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138470200000000 ] - [ 0.0000000000000000, 0.0001501500000000, 0.0030233000000000 ] - [ -0.0001300300000000, -0.0000750700000000, 0.0030233000000000 ] - [ 0.0001300300000000, -0.0000750700000000, 0.0030233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0137806000000000 ] - [ 0.0000000000000000, 0.0001452300000000, 0.0030362000000000 ] - [ -0.0001257700000000, -0.0000726100000000, 0.0030362000000000 ] - [ 0.0001257700000000, -0.0000726100000000, 0.0030362000000000 ] - [ 0.0000000000000000, 0.0035919800000000, 0.0027150400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002857100000000 ] - [ 0.0031107500000000, -0.0017959900000000, 0.0027150400000000 ] - [ -0.0031107500000000, -0.0017959900000000, 0.0027150400000000 ] - [ 0.0000000000000000, -0.0005224000000000, 0.0022870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016122200000000 ] - [ -0.0004524100000000, 0.0002612000000000, 0.0022870600000000 ] - [ 0.0004524100000000, 0.0002612000000000, 0.0022870600000000 ] - [ 0.0000000000000000, -0.0070572300000000, -0.0032499900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012573900000000 ] - [ -0.0061117400000000, 0.0035286100000000, -0.0032499900000000 ] - [ 0.0061117400000000, 0.0035286100000000, -0.0032499900000000 ] - [ 0.0061133400000000, 0.0035295400000000, -0.0036073400000000 ] - [ -0.0061133400000000, 0.0035295400000000, -0.0036073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015884700000000 ] - [ 0.0000000000000000, -0.0070590800000000, -0.0036073400000000 ] - [ 0.0004588100000000, 0.0002648900000000, 0.0019596200000000 ] - [ -0.0004588100000000, 0.0002648900000000, 0.0019596200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012835200000000 ] - [ 0.0000000000000000, -0.0005297900000000, 0.0019596200000000 ] - [ -0.0030991800000000, -0.0017893100000000, 0.0023989900000000 ] - [ 0.0030991800000000, -0.0017893100000000, 0.0023989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000349600000000 ] - [ 0.0000000000000000, 0.0035786300000000, 0.0023989900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007854600000000, 0.0004598100000000, -0.0003093600000000 ] - [ 0.0030097900000000, -0.0003120000000000, 0.0008881200000000 ] - [ 0.0014225100000000, -0.0000685100000000, -0.0001477900000000 ] - [ -0.0015215700000000, 0.0011695600000000, -0.0002294500000000 ] - [ -0.0001433700000000, 0.0000729300000000, -0.0001469000000000 ] - [ 0.0002906400000000, -0.0001544200000000, 0.0001692800000000 ] - [ 0.0001603200000000, -0.0001434300000000, -0.0001756900000000 ] - [ -0.0000442200000000, 0.0000394000000000, 0.0001256300000000 ] - [ -0.0002503100000000, 0.0001168700000000, 0.0000832600000000 ] - [ 0.0004113800000000, -0.0002010800000000, -0.0000238400000000 ] - [ 0.0004310600000000, -0.0006150700000000, 0.0007709600000000 ] - [ -0.0002875800000000, 0.0002066800000000, -0.0003405500000000 ] - [ 0.0020145700000000, -0.0014021900000000, -0.0010112800000000 ] - [ 0.0017538000000000, 0.0015909000000000, 0.0010611100000000 ] - [ 0.0000101500000000, 0.0000928600000000, 0.0000122800000000 ] - [ 0.0005088900000000, 0.0000850600000000, 0.0000075800000000 ] - [ -0.0000313000000000, -0.0000258500000000, -0.0003316100000000 ] - [ -0.0000309100000000, 0.0002131500000000, 0.0003566100000000 ] - [ -0.0000154800000000, 0.0000907900000000, 0.0000103800000000 ] - [ 0.0000261900000000, 0.0000893700000000, 0.0000109100000000 ] - [ -0.0002820100000000, 0.0003092600000000, 0.0007996400000000 ] - [ -0.0002828900000000, -0.0001357500000000, -0.0007848400000000 ] - [ -0.0000476700000000, 0.0000852300000000, 0.0000064600000000 ] - [ 0.0000710700000000, 0.0000890700000000, 0.0000083600000000 ] - [ 0.0028763900000000, 0.0001680500000000, -0.0008548200000000 ] - [ -0.0009364700000000, -0.0005465000000000, 0.0003281100000000 ] - [ 0.0012189100000000, 0.0000295200000000, 0.0001870700000000 ] - [ -0.0016731700000000, -0.0012632800000000, 0.0002454600000000 ] - [ 0.0001345500000000, 0.0000632600000000, -0.0001424800000000 ] - [ -0.0002944700000000, -0.0001619000000000, 0.0001677500000000 ] - [ 0.0000088400000000, 0.0000533000000000, 0.0001965700000000 ] - [ -0.0001947700000000, -0.0001286000000000, -0.0001057700000000 ] - [ 0.0002609600000000, 0.0001090900000000, 0.0000399000000000 ] - [ -0.0004060600000000, -0.0002069900000000, -0.0000595600000000 ] - [ 0.0002754200000000, 0.0005236900000000, -0.0007482700000000 ] - [ -0.0004327800000000, -0.0002922100000000, 0.0003558100000000 ] - [ -0.0000340200000000, 0.0006722900000000, -0.0009309300000000 ] - [ -0.0009393300000000, -0.0001762800000000, 0.0004140400000000 ] - [ 0.0002143600000000, 0.0002582900000000, 0.0001558600000000 ] - [ -0.0003233000000000, -0.0001858500000000, -0.0000838900000000 ] - [ 0.0006730500000000, 0.0005674300000000, 0.0011032000000000 ] - [ -0.0016862500000000, -0.0001205400000000, -0.0012507900000000 ] - [ 0.0000729700000000, 0.0005259800000000, -0.0004103600000000 ] - [ -0.0001969100000000, -0.0002025000000000, 0.0000331700000000 ] - [ 0.0000430600000000, 0.0000311000000000, 0.0000327000000000 ] - [ -0.0002013700000000, 0.0000464200000000, -0.0000598400000000 ] - [ -0.0000714700000000, 0.0000982900000000, -0.0000329500000000 ] - [ -0.0000792000000000, -0.0000112300000000, 0.0000100000000000 ] - [ 0.0011263400000000, -0.0000960300000000, -0.0000159000000000 ] - [ -0.0006492300000000, -0.0000947200000000, -0.0000130200000000 ] - [ -0.0002907600000000, 0.0006863500000000, -0.0002661700000000 ] - [ -0.0002908900000000, -0.0008703600000000, 0.0002442800000000 ] - [ 0.0016579500000000, -0.0000965100000000, -0.0000085000000000 ] - [ -0.0005491500000000, -0.0000862200000000, -0.0000080500000000 ] - [ -0.0004531600000000, 0.0010995900000000, 0.0008219600000000 ] - [ -0.0004544400000000, -0.0012824900000000, -0.0008421300000000 ] - [ 0.0000954000000000, -0.0000913900000000, -0.0000114900000000 ] - [ -0.0000997100000000, -0.0000890100000000, -0.0000097800000000 ] - [ -0.0000126200000000, -0.0000021300000000, 0.0000178200000000 ] - [ -0.0000131800000000, -0.0001755400000000, -0.0000366100000000 ] - [ 0.0001590900000000, -0.0005568100000000, 0.0008612600000000 ] - [ -0.0007943400000000, 0.0002598300000000, -0.0004256000000000 ] - [ -0.0001726300000000, 0.0002773200000000, 0.0000637400000000 ] - [ 0.0003554800000000, -0.0001770900000000, -0.0001738400000000 ] - [ 0.0008616000000000, -0.0004617300000000, -0.0011080900000000 ] - [ -0.0015344800000000, 0.0002047500000000, 0.0012292300000000 ] - [ -0.0000423000000000, 0.0002933200000000, -0.0000537300000000 ] - [ 0.0002125200000000, -0.0004453000000000, 0.0003997400000000 ] - [ 0.0002010400000000, 0.0000625500000000, -0.0000590300000000 ] - [ -0.0000447100000000, 0.0000454300000000, 0.0000350000000000 ] - [ 0.0000740000000000, 0.0001010000000000, -0.0000328800000000 ] - [ 0.0000801900000000, -0.0000087700000000, 0.0000121600000000 ] - [ -0.0011293700000000, 0.0000143500000000, 0.0000077700000000 ] - [ 0.0010408900000000, 0.0000017100000000, 0.0000003000000000 ] - [ 0.0021807700000000, -0.0019019900000000, 0.0031033700000000 ] - [ 0.0021625900000000, 0.0019070500000000, -0.0031073600000000 ] - [ -0.0058714700000000, 0.0000305600000000, -0.0000100400000000 ] - [ 0.0015204300000000, -0.0000052400000000, 0.0000010600000000 ] - [ 0.0072567400000000, -0.0075472800000000, -0.0060807200000000 ] - [ 0.0072853200000000, 0.0076241200000000, 0.0061416700000000 ] - [ -0.0003512600000000, 0.0000018800000000, -0.0000007100000000 ] - [ 0.0003452200000000, -0.0000007900000000, 0.0000004300000000 ] - [ 0.0000631000000000, -0.0002417200000000, -0.0004548000000000 ] - [ 0.0000610800000000, 0.0002376100000000, 0.0004573400000000 ] - [ -0.0249774000000000, -0.0000939100000000, 0.0000946800000000 ] - [ 0.0023174500000000, -0.0000005200000000, 0.0001621700000000 ] - [ 0.0002292100000000, -0.0012039800000000, 0.0002389700000000 ] - [ 0.0002319300000000, 0.0012058700000000, 0.0000863100000000 ] - [ -0.0008091300000000, -0.0000014600000000, 0.0001605700000000 ] - [ 0.0005468000000000, -0.0000004300000000, 0.0001634500000000 ] - [ 0.0000144100000000, -0.0003070000000000, 0.0001153200000000 ] - [ 0.0000154700000000, 0.0003069300000000, 0.0002096300000000 ] - [ -0.0008093700000000, -0.0000012800000000, 0.0001656200000000 ] - [ 0.0005468100000000, -0.0000001700000000, 0.0001622300000000 ] - [ 0.0000145600000000, -0.0003071400000000, 0.0001885400000000 ] - [ 0.0000155300000000, 0.0003069200000000, 0.0001373300000000 ] - [ 0.0019911800000000, -0.0021113700000000, -0.0022981200000000 ] - [ 0.0019872900000000, 0.0020942100000000, 0.0019531500000000 ] - [ -0.0016528900000000, -0.0000059700000000, -0.0001599700000000 ] - [ 0.0007226100000000, 0.0000026700000000, -0.0001633400000000 ] - [ 0.0007435900000000, -0.0011602800000000, 0.0012620800000000 ] - [ 0.0007473800000000, 0.0011540600000000, -0.0015803300000000 ] - [ -0.0012586700000000, -0.0000015700000000, -0.0001642400000000 ] - [ 0.0007367500000000, 0.0000027200000000, -0.0001623900000000 ] - [ -0.0000013800000000, -0.0001246500000000, -0.0002316900000000 ] - [ -0.0000001300000000, 0.0001251600000000, -0.0000931700000000 ] - [ -0.0002172200000000, 0.0000004200000000, -0.0001623900000000 ] - [ 0.0001826600000000, 0.0000010200000000, -0.0001623700000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001445300000000, -0.0000834500000000, 0.0005758300000000 ] - [ 0.0004997900000000, -0.0001651200000000, 0.0018982400000000 ] - [ 0.0003929000000000, -0.0003502700000000, 0.0018982400000000 ] - [ 0.0005367200000000, -0.0003098700000000, 0.0007252200000000 ] - [ -0.0000893300000000, 0.0000515800000000, -0.0004118800000000 ] - [ -0.0000513600000000, 0.0002448500000000, -0.0006957700000000 ] - [ -0.0002377300000000, -0.0000779400000000, -0.0006957700000000 ] - [ 0.0000792200000000, -0.0000457400000000, -0.0004045800000000 ] - [ 0.0001576300000000, -0.0000910100000000, -0.0001650100000000 ] - [ -0.0005008000000000, -0.0004351900000000, -0.0008947000000000 ] - [ 0.0001264900000000, 0.0006513000000000, -0.0008947000000000 ] - [ -0.0002752900000000, 0.0001589400000000, -0.0002903300000000 ] - [ -0.0001068900000000, 0.0005153900000000, 0.0018982400000000 ] - [ 0.0001068900000000, 0.0005153900000000, 0.0018982400000000 ] - [ 0.0000000000000000, 0.0001668900000000, 0.0005758300000000 ] - [ 0.0000000000000000, 0.0006197500000000, 0.0007252200000000 ] - [ -0.0001863700000000, -0.0001669100000000, -0.0006957700000000 ] - [ 0.0001863700000000, -0.0001669100000000, -0.0006957700000000 ] - [ 0.0000000000000000, -0.0001031500000000, -0.0004118800000000 ] - [ 0.0000000000000000, 0.0000914800000000, -0.0004045800000000 ] - [ 0.0006272800000000, -0.0002161100000000, -0.0008947000000000 ] - [ -0.0006272800000000, -0.0002161100000000, -0.0008947000000000 ] - [ 0.0000000000000000, 0.0001820200000000, -0.0001650100000000 ] - [ 0.0000000000000000, -0.0003178800000000, -0.0002903300000000 ] - [ -0.0004997900000000, -0.0001651200000000, 0.0018982400000000 ] - [ -0.0001445300000000, -0.0000834500000000, 0.0005758300000000 ] - [ -0.0003929000000000, -0.0003502700000000, 0.0018982400000000 ] - [ -0.0005367200000000, -0.0003098700000000, 0.0007252200000000 ] - [ 0.0000513600000000, 0.0002448500000000, -0.0006957700000000 ] - [ 0.0000893300000000, 0.0000515800000000, -0.0004118800000000 ] - [ 0.0002377300000000, -0.0000779400000000, -0.0006957700000000 ] - [ -0.0000792200000000, -0.0000457400000000, -0.0004045800000000 ] - [ 0.0005008000000000, -0.0004351900000000, -0.0008947000000000 ] - [ -0.0001576300000000, -0.0000910100000000, -0.0001650100000000 ] - [ -0.0001264900000000, 0.0006513000000000, -0.0008947000000000 ] - [ 0.0002752900000000, 0.0001589400000000, -0.0002903300000000 ] - [ -0.0015373900000000, 0.0008876200000000, -0.0000691800000000 ] - [ 0.0010388700000000, 0.0000225900000000, 0.0003374400000000 ] - [ 0.0004998700000000, -0.0009109800000000, 0.0003374400000000 ] - [ -0.0000969000000000, 0.0000559500000000, 0.0001005500000000 ] - [ 0.0019278700000000, -0.0011130600000000, 0.0017539700000000 ] - [ -0.0009970500000000, 0.0000243400000000, 0.0001097800000000 ] - [ -0.0005196100000000, 0.0008513000000000, 0.0001097800000000 ] - [ 0.0000680700000000, -0.0000393000000000, 0.0002759000000000 ] - [ -0.0002638900000000, 0.0001523500000000, -0.0007705200000000 ] - [ -0.0002340200000000, 0.0001191800000000, -0.0005532200000000 ] - [ -0.0002202300000000, 0.0001430800000000, -0.0005532200000000 ] - [ -0.0001923300000000, 0.0001110400000000, -0.0004362400000000 ] - [ 0.0000000000000000, -0.0017752300000000, -0.0000691800000000 ] - [ 0.0000000000000000, -0.0001118900000000, 0.0001005500000000 ] - [ -0.0005390000000000, 0.0008883900000000, 0.0003374400000000 ] - [ 0.0005390000000000, 0.0008883900000000, 0.0003374400000000 ] - [ 0.0000000000000000, 0.0022261100000000, 0.0017539700000000 ] - [ 0.0000000000000000, 0.0000786100000000, 0.0002759000000000 ] - [ 0.0004774400000000, -0.0008756400000000, 0.0001097800000000 ] - [ -0.0004774400000000, -0.0008756400000000, 0.0001097800000000 ] - [ 0.0000000000000000, -0.0003047100000000, -0.0007705200000000 ] - [ 0.0000000000000000, -0.0002220800000000, -0.0004362400000000 ] - [ 0.0000138000000000, -0.0002622600000000, -0.0005532200000000 ] - [ -0.0000138000000000, -0.0002622600000000, -0.0005532200000000 ] - [ 0.0015373900000000, 0.0008876200000000, -0.0000691800000000 ] - [ -0.0010388700000000, 0.0000225900000000, 0.0003374400000000 ] - [ 0.0000969000000000, 0.0000559500000000, 0.0001005500000000 ] - [ -0.0004998700000000, -0.0009109800000000, 0.0003374400000000 ] - [ -0.0019278700000000, -0.0011130600000000, 0.0017539700000000 ] - [ 0.0009970500000000, 0.0000243400000000, 0.0001097800000000 ] - [ -0.0000680700000000, -0.0000393000000000, 0.0002759000000000 ] - [ 0.0005196100000000, 0.0008513000000000, 0.0001097800000000 ] - [ 0.0002638900000000, 0.0001523500000000, -0.0007705200000000 ] - [ 0.0002340200000000, 0.0001191800000000, -0.0005532200000000 ] - [ 0.0001923300000000, 0.0001110400000000, -0.0004362400000000 ] - [ 0.0002202300000000, 0.0001430800000000, -0.0005532200000000 ] - [ 0.0000000000000000, 0.0045597000000000, 0.0025594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001351700000000 ] - [ 0.0039488200000000, -0.0022798500000000, 0.0025594100000000 ] - [ -0.0039488200000000, -0.0022798500000000, 0.0025594100000000 ] - [ 0.0000000000000000, -0.0066427900000000, -0.0034409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014225900000000 ] - [ -0.0057528200000000, 0.0033213900000000, -0.0034409700000000 ] - [ 0.0057528200000000, 0.0033213900000000, -0.0034409700000000 ] - [ 0.0000000000000000, -0.0003330200000000, 0.0021047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014413200000000 ] - [ -0.0002884000000000, 0.0001665100000000, 0.0021047300000000 ] - [ 0.0002884000000000, 0.0001665100000000, 0.0021047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0145743200000000 ] - [ 0.0000000000000000, -0.0000873500000000, -0.0007897800000000 ] - [ 0.0000756500000000, 0.0000436700000000, -0.0007897800000000 ] - [ -0.0000756500000000, 0.0000436700000000, -0.0007897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022329300000000 ] - [ 0.0000000000000000, -0.0000293700000000, 0.0006240900000000 ] - [ 0.0000254300000000, 0.0000146800000000, 0.0006240900000000 ] - [ -0.0000254300000000, 0.0000146800000000, 0.0006240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022183700000000 ] - [ 0.0000000000000000, 0.0000540600000000, 0.0006246300000000 ] - [ -0.0000468200000000, -0.0000270300000000, 0.0006246300000000 ] - [ 0.0000468200000000, -0.0000270300000000, 0.0006246300000000 ] - [ -0.0021214800000000, 0.0012248400000000, -0.0005400800000000 ] - [ 0.0021214800000000, 0.0012248400000000, -0.0005400800000000 ] - [ 0.0000000000000000, -0.0024496700000000, -0.0005400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008032700000000 ] - [ 0.0014240700000000, -0.0008221900000000, 0.0004549500000000 ] - [ -0.0014240700000000, -0.0008221900000000, 0.0004549500000000 ] - [ 0.0000000000000000, 0.0016443700000000, 0.0004549500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025700000000 ] - [ -0.0000688800000000, 0.0000397700000000, 0.0006022200000000 ] - [ 0.0000688800000000, 0.0000397700000000, 0.0006022200000000 ] - [ 0.0000000000000000, -0.0000795300000000, 0.0006022200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004155300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000012500000000, 0.0000007200000000, -0.0005574200000000 ] - [ -0.0003436300000000, 0.0000722500000000, -0.0018709800000000 ] - [ -0.0002343900000000, 0.0002614600000000, -0.0018709800000000 ] - [ -0.0003912300000000, 0.0002258800000000, -0.0007039200000000 ] - [ 0.0002387300000000, -0.0001378300000000, 0.0004335500000000 ] - [ 0.0001896600000000, -0.0003234200000000, 0.0007121300000000 ] - [ 0.0003749200000000, -0.0000025400000000, 0.0007121300000000 ] - [ 0.0000620300000000, -0.0000358100000000, 0.0004240000000000 ] - [ -0.0000073400000000, 0.0000042400000000, 0.0001849800000000 ] - [ 0.0006554900000000, 0.0003500200000000, 0.0009195200000000 ] - [ 0.0000246200000000, -0.0007426800000000, 0.0009195200000000 ] - [ 0.0004196900000000, -0.0002423100000000, 0.0003067300000000 ] - [ 0.0001092400000000, -0.0003337200000000, -0.0018709800000000 ] - [ -0.0001092400000000, -0.0003337200000000, -0.0018709800000000 ] - [ 0.0000000000000000, -0.0000014400000000, -0.0005574200000000 ] - [ 0.0000000000000000, -0.0004517500000000, -0.0007039200000000 ] - [ 0.0001852600000000, 0.0003259600000000, 0.0007121300000000 ] - [ -0.0001852600000000, 0.0003259600000000, 0.0007121300000000 ] - [ 0.0000000000000000, 0.0002756600000000, 0.0004335500000000 ] - [ 0.0000000000000000, 0.0000716300000000, 0.0004240000000000 ] - [ -0.0006308700000000, 0.0003926600000000, 0.0009195200000000 ] - [ 0.0006308700000000, 0.0003926600000000, 0.0009195200000000 ] - [ 0.0000000000000000, -0.0000084800000000, 0.0001849800000000 ] - [ 0.0000000000000000, 0.0004846100000000, 0.0003067300000000 ] - [ 0.0003436300000000, 0.0000722500000000, -0.0018709800000000 ] - [ 0.0000012500000000, 0.0000007200000000, -0.0005574200000000 ] - [ 0.0002343900000000, 0.0002614600000000, -0.0018709800000000 ] - [ 0.0003912300000000, 0.0002258800000000, -0.0007039200000000 ] - [ -0.0001896600000000, -0.0003234200000000, 0.0007121300000000 ] - [ -0.0002387300000000, -0.0001378300000000, 0.0004335500000000 ] - [ -0.0003749200000000, -0.0000025400000000, 0.0007121300000000 ] - [ -0.0000620300000000, -0.0000358100000000, 0.0004240000000000 ] - [ -0.0006554900000000, 0.0003500200000000, 0.0009195200000000 ] - [ 0.0000073400000000, 0.0000042400000000, 0.0001849800000000 ] - [ -0.0000246200000000, -0.0007426800000000, 0.0009195200000000 ] - [ -0.0004196900000000, -0.0002423100000000, 0.0003067300000000 ] - [ 0.0013258600000000, -0.0007654900000000, -0.0000428600000000 ] - [ -0.0011892500000000, 0.0000611600000000, -0.0003599700000000 ] - [ -0.0006475900000000, 0.0009993400000000, -0.0003599700000000 ] - [ -0.0000466000000000, 0.0000269100000000, -0.0001204800000000 ] - [ -0.0021122000000000, 0.0012194800000000, -0.0016847500000000 ] - [ 0.0008539700000000, 0.0000583500000000, -0.0001244100000000 ] - [ 0.0003764500000000, -0.0007687400000000, -0.0001244100000000 ] - [ -0.0002232200000000, 0.0001288800000000, -0.0002999800000000 ] - [ 0.0001187700000000, -0.0000685700000000, 0.0007548100000000 ] - [ 0.0000861500000000, -0.0000343400000000, 0.0005354500000000 ] - [ 0.0000728100000000, -0.0000574400000000, 0.0005354500000000 ] - [ 0.0000529000000000, -0.0000305400000000, 0.0004218100000000 ] - [ 0.0000000000000000, 0.0015309700000000, -0.0000428600000000 ] - [ 0.0000000000000000, -0.0000538100000000, -0.0001204800000000 ] - [ 0.0005416600000000, -0.0010605000000000, -0.0003599700000000 ] - [ -0.0005416600000000, -0.0010605000000000, -0.0003599700000000 ] - [ 0.0000000000000000, -0.0024389600000000, -0.0016847500000000 ] - [ 0.0000000000000000, -0.0002577600000000, -0.0002999800000000 ] - [ -0.0004775200000000, 0.0007103900000000, -0.0001244100000000 ] - [ 0.0004775200000000, 0.0007103900000000, -0.0001244100000000 ] - [ 0.0000000000000000, 0.0001371400000000, 0.0007548100000000 ] - [ 0.0000000000000000, 0.0000610800000000, 0.0004218100000000 ] - [ -0.0000133300000000, 0.0000917800000000, 0.0005354500000000 ] - [ 0.0000133300000000, 0.0000917800000000, 0.0005354500000000 ] - [ -0.0013258600000000, -0.0007654900000000, -0.0000428600000000 ] - [ 0.0011892500000000, 0.0000611600000000, -0.0003599700000000 ] - [ 0.0000466000000000, 0.0000269100000000, -0.0001204800000000 ] - [ 0.0006475900000000, 0.0009993400000000, -0.0003599700000000 ] - [ 0.0021122000000000, 0.0012194800000000, -0.0016847500000000 ] - [ -0.0008539700000000, 0.0000583500000000, -0.0001244100000000 ] - [ 0.0002232200000000, 0.0001288800000000, -0.0002999800000000 ] - [ -0.0003764500000000, -0.0007687400000000, -0.0001244100000000 ] - [ -0.0001187700000000, -0.0000685700000000, 0.0007548100000000 ] - [ -0.0000861500000000, -0.0000343400000000, 0.0005354500000000 ] - [ -0.0000529000000000, -0.0000305400000000, 0.0004218100000000 ] - [ -0.0000728100000000, -0.0000574400000000, 0.0005354500000000 ] - [ 0.0000000000000000, -0.0045868800000000, -0.0025595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236300000000 ] - [ -0.0039723600000000, 0.0022934400000000, -0.0025595000000000 ] - [ 0.0039723600000000, 0.0022934400000000, -0.0025595000000000 ] - [ 0.0000000000000000, 0.0066466000000000, 0.0034020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014187700000000 ] - [ 0.0057561200000000, -0.0033233000000000, 0.0034020800000000 ] - [ -0.0057561200000000, -0.0033233000000000, 0.0034020800000000 ] - [ 0.0000000000000000, 0.0003298700000000, -0.0021266700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014517200000000 ] - [ 0.0002856700000000, -0.0001649300000000, -0.0021266700000000 ] - [ -0.0002856700000000, -0.0001649300000000, -0.0021266700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0149925000000000 ] - [ 0.0000000000000000, 0.0000886200000000, 0.0011195100000000 ] - [ -0.0000767500000000, -0.0000443100000000, 0.0011195100000000 ] - [ 0.0000767500000000, -0.0000443100000000, 0.0011195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018976600000000 ] - [ 0.0000000000000000, 0.0000299300000000, -0.0003020600000000 ] - [ -0.0000259200000000, -0.0000149700000000, -0.0003020600000000 ] - [ 0.0000259200000000, -0.0000149700000000, -0.0003020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019102800000000 ] - [ 0.0000000000000000, -0.0000542400000000, -0.0003005200000000 ] - [ 0.0000469700000000, 0.0000271200000000, -0.0003005200000000 ] - [ -0.0000469700000000, 0.0000271200000000, -0.0003005200000000 ] - [ 0.0021291800000000, -0.0012292800000000, 0.0002286800000000 ] - [ -0.0021291800000000, -0.0012292800000000, 0.0002286800000000 ] - [ 0.0000000000000000, 0.0024585700000000, 0.0002286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004837900000000 ] - [ -0.0014179800000000, 0.0008186700000000, -0.0007843400000000 ] - [ 0.0014179800000000, 0.0008186700000000, -0.0007843400000000 ] - [ 0.0000000000000000, -0.0016373400000000, -0.0007843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002252800000000 ] - [ 0.0000696100000000, -0.0000401900000000, -0.0009310100000000 ] - [ -0.0000696100000000, -0.0000401900000000, -0.0009310100000000 ] - [ 0.0000000000000000, 0.0000803700000000, -0.0009310100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007448700000000 ]