# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/04f2d473-a54f-4600-bd35-dc954fed4bc7/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 RbS / Immm (71) / materials id 558071](https://mdr.nims.go.jp/datasets/2c946214-f2e4-4fdc-8327-e0a51896e26f) ## 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: "Immm" number: 71 Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -2.485534925000000, 3.424262245000000, 4.298921165000000 ] # a - [ 2.485534925000000, -3.424262245000000, 4.298921165000000 ] # b - [ 2.485534925000000, 3.424262245000000, -4.298921165000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.774963930000000, 0.774963930000000, 0.000000000000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.225036070000000, 0.225036070000000, 0.000000000000000 ] mass: 85.467800 - symbol: S # 3 coordinates: [ 0.154412030000000, 0.500000000000000, 0.654412030000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.845587970000000, 0.500000000000000, 0.345587970000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.146016853916514, 0.116308250560812 ] # a* - [ 0.201163940595202, 0.000000000000000, 0.116308250560812 ] # b* - [ 0.201163940595202, 0.146016853916514, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.971069850000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.848524490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.597842330000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.774963930000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.225036070000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.274963930000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.725036070000000 ] mass: 85.467800 reduced_to: 2 - symbol: S # 5 coordinates: [ 0.000000000000000, 0.654412030000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.000000000000000, 0.345587970000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.500000000000000, 0.154412030000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 8 coordinates: [ 0.500000000000000, 0.845587970000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 6supercell: lattice: - [ 14.913209550000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 20.545573470000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.195684660000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.387481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 13 coordinates: [ 0.000000000000000, 0.333333333333333, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 14 coordinates: [ 0.333333333333333, 0.333333333333333, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 15 coordinates: [ 0.666666666666667, 0.333333333333333, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 16 coordinates: [ 0.000000000000000, 0.666666666666667, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 18 coordinates: [ 0.666666666666667, 0.666666666666667, 0.887481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.333333333333333, 0.000000000000000, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 21 coordinates: [ 0.666666666666667, 0.000000000000000, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 22 coordinates: [ 0.000000000000000, 0.333333333333333, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 23 coordinates: [ 0.333333333333333, 0.333333333333333, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 24 coordinates: [ 0.666666666666667, 0.333333333333333, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 25 coordinates: [ 0.000000000000000, 0.666666666666667, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 26 coordinates: [ 0.333333333333333, 0.666666666666667, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 27 coordinates: [ 0.666666666666667, 0.666666666666667, 0.112518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 29 coordinates: [ 0.333333333333333, 0.000000000000000, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 30 coordinates: [ 0.666666666666667, 0.000000000000000, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 31 coordinates: [ 0.000000000000000, 0.333333333333333, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 32 coordinates: [ 0.333333333333333, 0.333333333333333, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 33 coordinates: [ 0.666666666666667, 0.333333333333333, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 34 coordinates: [ 0.000000000000000, 0.666666666666667, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 35 coordinates: [ 0.333333333333333, 0.666666666666667, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 36 coordinates: [ 0.666666666666667, 0.666666666666667, 0.612518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 37 coordinates: [ 0.166666666666667, 0.166666666666667, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 38 coordinates: [ 0.500000000000000, 0.166666666666667, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 39 coordinates: [ 0.833333333333333, 0.166666666666667, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 43 coordinates: [ 0.166666666666667, 0.833333333333333, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 44 coordinates: [ 0.500000000000000, 0.833333333333333, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 45 coordinates: [ 0.833333333333333, 0.833333333333333, 0.137481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 46 coordinates: [ 0.166666666666667, 0.166666666666667, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 47 coordinates: [ 0.500000000000000, 0.166666666666667, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 48 coordinates: [ 0.833333333333333, 0.166666666666667, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 49 coordinates: [ 0.166666666666667, 0.500000000000000, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 50 coordinates: [ 0.500000000000000, 0.500000000000000, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 51 coordinates: [ 0.833333333333333, 0.500000000000000, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 52 coordinates: [ 0.166666666666667, 0.833333333333333, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 53 coordinates: [ 0.500000000000000, 0.833333333333333, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 54 coordinates: [ 0.833333333333333, 0.833333333333333, 0.637481965000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 55 coordinates: [ 0.166666666666667, 0.166666666666667, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 56 coordinates: [ 0.500000000000000, 0.166666666666667, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 57 coordinates: [ 0.833333333333333, 0.166666666666667, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 58 coordinates: [ 0.166666666666667, 0.500000000000000, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 59 coordinates: [ 0.500000000000000, 0.500000000000000, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 60 coordinates: [ 0.833333333333333, 0.500000000000000, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 61 coordinates: [ 0.166666666666667, 0.833333333333333, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 62 coordinates: [ 0.500000000000000, 0.833333333333333, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 63 coordinates: [ 0.833333333333333, 0.833333333333333, 0.362518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 64 coordinates: [ 0.166666666666667, 0.166666666666667, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 65 coordinates: [ 0.500000000000000, 0.166666666666667, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 66 coordinates: [ 0.833333333333333, 0.166666666666667, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 67 coordinates: [ 0.166666666666667, 0.500000000000000, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 69 coordinates: [ 0.833333333333333, 0.500000000000000, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 70 coordinates: [ 0.166666666666667, 0.833333333333333, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 71 coordinates: [ 0.500000000000000, 0.833333333333333, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 72 coordinates: [ 0.833333333333333, 0.833333333333333, 0.862518035000000 ] mass: 85.467800 reduced_to: 19 - symbol: S # 73 coordinates: [ 0.000000000000000, 0.218137343333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.333333333333333, 0.218137343333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.666666666666667, 0.218137343333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.551470676666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.333333333333333, 0.551470676666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.666666666666667, 0.551470676666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.884804010000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 80 coordinates: [ 0.333333333333333, 0.884804010000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 81 coordinates: [ 0.666666666666667, 0.884804010000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 82 coordinates: [ 0.000000000000000, 0.218137343333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 83 coordinates: [ 0.333333333333333, 0.218137343333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 84 coordinates: [ 0.666666666666667, 0.218137343333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 85 coordinates: [ 0.000000000000000, 0.551470676666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 86 coordinates: [ 0.333333333333333, 0.551470676666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 87 coordinates: [ 0.666666666666667, 0.551470676666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 88 coordinates: [ 0.000000000000000, 0.884804010000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 89 coordinates: [ 0.333333333333333, 0.884804010000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 90 coordinates: [ 0.666666666666667, 0.884804010000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 91 coordinates: [ 0.000000000000000, 0.115195990000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.333333333333333, 0.115195990000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.666666666666667, 0.115195990000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.000000000000000, 0.448529323333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 95 coordinates: [ 0.333333333333333, 0.448529323333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 96 coordinates: [ 0.666666666666667, 0.448529323333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 97 coordinates: [ 0.000000000000000, 0.781862656666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 98 coordinates: [ 0.333333333333333, 0.781862656666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 99 coordinates: [ 0.666666666666667, 0.781862656666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 100 coordinates: [ 0.000000000000000, 0.115195990000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 101 coordinates: [ 0.333333333333333, 0.115195990000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 102 coordinates: [ 0.666666666666667, 0.115195990000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 103 coordinates: [ 0.000000000000000, 0.448529323333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 104 coordinates: [ 0.333333333333333, 0.448529323333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 105 coordinates: [ 0.666666666666667, 0.448529323333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 106 coordinates: [ 0.000000000000000, 0.781862656666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 107 coordinates: [ 0.333333333333333, 0.781862656666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 108 coordinates: [ 0.666666666666667, 0.781862656666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 109 coordinates: [ 0.166666666666667, 0.051470676666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 110 coordinates: [ 0.500000000000000, 0.051470676666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 111 coordinates: [ 0.833333333333333, 0.051470676666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 112 coordinates: [ 0.166666666666667, 0.384804010000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 113 coordinates: [ 0.500000000000000, 0.384804010000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 114 coordinates: [ 0.833333333333333, 0.384804010000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 115 coordinates: [ 0.166666666666667, 0.718137343333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 116 coordinates: [ 0.500000000000000, 0.718137343333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 117 coordinates: [ 0.833333333333333, 0.718137343333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 118 coordinates: [ 0.166666666666667, 0.051470676666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 119 coordinates: [ 0.500000000000000, 0.051470676666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 120 coordinates: [ 0.833333333333333, 0.051470676666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 121 coordinates: [ 0.166666666666667, 0.384804010000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 122 coordinates: [ 0.500000000000000, 0.384804010000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 123 coordinates: [ 0.833333333333333, 0.384804010000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 124 coordinates: [ 0.166666666666667, 0.718137343333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 125 coordinates: [ 0.500000000000000, 0.718137343333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 126 coordinates: [ 0.833333333333333, 0.718137343333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 127 coordinates: [ 0.166666666666667, 0.281862656666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 128 coordinates: [ 0.500000000000000, 0.281862656666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 129 coordinates: [ 0.833333333333333, 0.281862656666667, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 130 coordinates: [ 0.166666666666667, 0.615195990000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 131 coordinates: [ 0.500000000000000, 0.615195990000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 132 coordinates: [ 0.833333333333333, 0.615195990000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 133 coordinates: [ 0.166666666666667, 0.948529323333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 134 coordinates: [ 0.500000000000000, 0.948529323333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 135 coordinates: [ 0.833333333333333, 0.948529323333333, 0.000000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 136 coordinates: [ 0.166666666666667, 0.281862656666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 137 coordinates: [ 0.500000000000000, 0.281862656666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 138 coordinates: [ 0.833333333333333, 0.281862656666667, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 139 coordinates: [ 0.166666666666667, 0.615195990000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 140 coordinates: [ 0.500000000000000, 0.615195990000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 141 coordinates: [ 0.833333333333333, 0.615195990000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 142 coordinates: [ 0.166666666666667, 0.948529323333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 143 coordinates: [ 0.500000000000000, 0.948529323333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 144 coordinates: [ 0.833333333333333, 0.948529323333333, 0.500000000000000 ] mass: 32.065000 reduced_to: 91born_effective_charge:- # 1 (Rb) - [ 1.146911240000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.034823030000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.108721590000000 ]- # 2 (Rb) - [ 1.146911240000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.034823030000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.108721590000000 ]- # 3 (S) - [ -1.146911240000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.034823030000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -1.108721590000000 ]- # 4 (S) - [ -1.146911240000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.034823030000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -1.108721590000000 ]dielectric_constant: - [ 2.868257360000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.164266620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.873453570000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0199641600000000, 0.0000000000000000, 0.0005225300000000 ] - [ 0.0014402400000000, 0.0000000000000000, 0.0006959200000000 ] - [ 0.0014287600000000, 0.0000000000000000, 0.0008402300000000 ] - [ -0.0001721600000000, -0.0000003600000000, 0.0007661000000000 ] - [ 0.0000858400000000, 0.0000869300000000, 0.0007866000000000 ] - [ 0.0000859900000000, -0.0000864400000000, 0.0007474100000000 ] - [ -0.0001721600000000, 0.0000003600000000, 0.0007661000000000 ] - [ 0.0000858400000000, -0.0000869300000000, 0.0007866000000000 ] - [ 0.0000859900000000, 0.0000864400000000, 0.0007474100000000 ] - [ -0.0000700000000000, 0.0000000000000000, 0.0007674100000000 ] - [ 0.0000350300000000, 0.0000000000000000, 0.0008164500000000 ] - [ 0.0000354800000000, 0.0000000000000000, 0.0007175600000000 ] - [ -0.0000313800000000, 0.0000000300000000, 0.0007671200000000 ] - [ 0.0000154800000000, 0.0000185600000000, 0.0007889600000000 ] - [ 0.0000157400000000, -0.0000185500000000, 0.0007450300000000 ] - [ -0.0000313800000000, -0.0000000300000000, 0.0007671200000000 ] - [ 0.0000154800000000, -0.0000185600000000, 0.0007889600000000 ] - [ 0.0000157400000000, 0.0000185500000000, 0.0007450300000000 ] - [ -0.0003171600000000, 0.0000000000000000, -0.0007636200000000 ] - [ 0.0000908600000000, 0.0000000000000000, -0.0009380000000000 ] - [ 0.0000915300000000, 0.0000000000000000, -0.0005971500000000 ] - [ -0.0000289900000000, -0.0000004700000000, -0.0007663800000000 ] - [ 0.0000157100000000, 0.0000393600000000, -0.0008197900000000 ] - [ 0.0000162200000000, -0.0000391500000000, -0.0007145400000000 ] - [ -0.0000289900000000, 0.0000004700000000, -0.0007663800000000 ] - [ 0.0000157100000000, -0.0000393600000000, -0.0008197900000000 ] - [ 0.0000162200000000, 0.0000391500000000, -0.0007145400000000 ] - [ -0.0017133300000000, 0.0000000000000000, -0.0007707800000000 ] - [ 0.0008071600000000, 0.0000000000000000, -0.0003183700000000 ] - [ 0.0008042000000000, 0.0000000000000000, -0.0012125700000000 ] - [ -0.0001483300000000, 0.0000001100000000, -0.0007669200000000 ] - [ 0.0000738000000000, 0.0000503700000000, -0.0007548000000000 ] - [ 0.0000738500000000, -0.0000502700000000, -0.0007789200000000 ] - [ -0.0001483300000000, -0.0000001100000000, -0.0007669200000000 ] - [ 0.0000738000000000, -0.0000503700000000, -0.0007548000000000 ] - [ 0.0000738500000000, 0.0000502700000000, -0.0007789200000000 ] - [ -0.0000942600000000, 0.0000986300000000, 0.0006162800000000 ] - [ 0.0002089100000000, 0.0000000900000000, 0.0007665400000000 ] - [ -0.0000910600000000, -0.0000987100000000, 0.0009178500000000 ] - [ -0.0000217300000000, 0.0000000000000000, 0.0007635800000000 ] - [ 0.0000429100000000, 0.0000000000000000, 0.0007669500000000 ] - [ -0.0000212900000000, 0.0000000000000000, 0.0007702200000000 ] - [ -0.0000942600000000, -0.0000986300000000, 0.0006162800000000 ] - [ 0.0002089100000000, -0.0000000900000000, 0.0007665400000000 ] - [ -0.0000910600000000, 0.0000987100000000, 0.0009178500000000 ] - [ -0.0000923000000000, 0.0003584300000000, 0.0011774800000000 ] - [ 0.0002089300000000, 0.0000000100000000, 0.0007671300000000 ] - [ -0.0000930400000000, -0.0003579500000000, 0.0003572700000000 ] - [ -0.0000215200000000, 0.0000000000000000, 0.0008152200000000 ] - [ 0.0000429000000000, 0.0000000000000000, 0.0007669800000000 ] - [ -0.0000215100000000, 0.0000000000000000, 0.0007186900000000 ] - [ -0.0000923000000000, -0.0003584300000000, 0.0011774800000000 ] - [ 0.0002089300000000, -0.0000000100000000, 0.0007671300000000 ] - [ -0.0000930400000000, 0.0003579500000000, 0.0003572700000000 ] - [ 0.0004085600000000, 0.0016557600000000, -0.0011573300000000 ] - [ 0.0003206800000000, 0.0000003400000000, -0.0007667700000000 ] - [ 0.0004127500000000, -0.0016481100000000, -0.0003789000000000 ] - [ -0.0000276000000000, 0.0000000000000000, -0.0008129500000000 ] - [ 0.0000542300000000, 0.0000000000000000, -0.0007669900000000 ] - [ -0.0000272000000000, 0.0000000000000000, -0.0007212100000000 ] - [ 0.0004085600000000, -0.0016557600000000, -0.0011573300000000 ] - [ 0.0003206800000000, -0.0000003400000000, -0.0007667700000000 ] - [ 0.0004127500000000, 0.0016481100000000, -0.0003789000000000 ] - [ -0.0000525000000000, 0.0000159700000000, -0.0007251300000000 ] - [ 0.0001055900000000, 0.0000000200000000, -0.0007669700000000 ] - [ -0.0000525800000000, -0.0000160400000000, -0.0008083200000000 ] - [ -0.0000156900000000, 0.0000000000000000, -0.0007662200000000 ] - [ 0.0000311600000000, 0.0000000000000000, -0.0007669800000000 ] - [ -0.0000156500000000, 0.0000000000000000, -0.0007674100000000 ] - [ -0.0000525000000000, -0.0000159700000000, -0.0007251300000000 ] - [ 0.0001055900000000, -0.0000000200000000, -0.0007669700000000 ] - [ -0.0000525800000000, 0.0000160400000000, -0.0008083200000000 ] - [ 0.0007097200000000, 0.0003510500000000, -0.0000015900000000 ] - [ -0.0002416400000000, 0.0001576100000000, 0.0001732600000000 ] - [ -0.0002414800000000, 0.0005329600000000, -0.0001720300000000 ] - [ 0.0000445300000000, 0.0003460600000000, 0.0000001400000000 ] - [ -0.0000218200000000, 0.0003517600000000, 0.0000149600000000 ] - [ -0.0000220800000000, 0.0003402300000000, -0.0000148200000000 ] - [ 0.0005521100000000, 0.0003506300000000, 0.0000070900000000 ] - [ -0.0003093800000000, 0.0005499400000000, 0.0002526800000000 ] - [ -0.0003087400000000, 0.0001437700000000, -0.0002507200000000 ] - [ 0.0002038000000000, 0.0003465000000000, -0.0000002500000000 ] - [ -0.0001022900000000, 0.0002835000000000, -0.0000905200000000 ] - [ -0.0001022200000000, 0.0004079400000000, 0.0000902800000000 ] - [ 0.0000402900000000, 0.0003469200000000, -0.0000001400000000 ] - [ -0.0000201300000000, 0.0003493800000000, -0.0000150000000000 ] - [ -0.0000200300000000, 0.0003423900000000, 0.0000148700000000 ] - [ 0.0002290700000000, 0.0003467200000000, -0.0000004800000000 ] - [ -0.0001153500000000, 0.0004200400000000, -0.0001498800000000 ] - [ -0.0001153600000000, 0.0002712500000000, 0.0001497200000000 ] - [ 0.0005521100000000, -0.0003506300000000, 0.0000070900000000 ] - [ -0.0003093800000000, -0.0005499400000000, 0.0002526800000000 ] - [ -0.0003087400000000, -0.0001437700000000, -0.0002507200000000 ] - [ 0.0000445300000000, -0.0003460600000000, 0.0000001400000000 ] - [ -0.0000218200000000, -0.0003517600000000, 0.0000149600000000 ] - [ -0.0000220800000000, -0.0003402300000000, -0.0000148200000000 ] - [ 0.0007097200000000, -0.0003510500000000, -0.0000015900000000 ] - [ -0.0002416400000000, -0.0001576100000000, 0.0001732600000000 ] - [ -0.0002414800000000, -0.0005329600000000, -0.0001720300000000 ] - [ 0.0002290700000000, -0.0003467200000000, -0.0000004800000000 ] - [ -0.0001153500000000, -0.0004200400000000, -0.0001498800000000 ] - [ -0.0001153600000000, -0.0002712500000000, 0.0001497200000000 ] - [ 0.0000402900000000, -0.0003469200000000, -0.0000001400000000 ] - [ -0.0000201300000000, -0.0003493800000000, -0.0000150000000000 ] - [ -0.0000200300000000, -0.0003423900000000, 0.0000148700000000 ] - [ 0.0002038000000000, -0.0003465000000000, -0.0000002500000000 ] - [ -0.0001022900000000, -0.0002835000000000, -0.0000905200000000 ] - [ -0.0001022200000000, -0.0004079400000000, 0.0000902800000000 ] - [ 0.0000532000000000, 0.0003485500000000, 0.0000377200000000 ] - [ -0.0001019500000000, 0.0003462700000000, 0.0000002500000000 ] - [ 0.0000520900000000, 0.0003434800000000, -0.0000384700000000 ] - [ 0.0000215000000000, 0.0003354800000000, 0.0000060700000000 ] - [ -0.0000450400000000, 0.0003460000000000, 0.0000000800000000 ] - [ 0.0000210100000000, 0.0003566400000000, -0.0000064000000000 ] - [ 0.0000254300000000, 0.0003608000000000, 0.0000089200000000 ] - [ -0.0000496900000000, 0.0003460700000000, 0.0000001300000000 ] - [ 0.0000249600000000, 0.0003310100000000, -0.0000093800000000 ] - [ 0.0040298000000000, 0.0006529600000000, 0.0023080300000000 ] - [ -0.0006244000000000, 0.0003465200000000, -0.0000010600000000 ] - [ 0.0039085300000000, 0.0000714000000000, -0.0021919000000000 ] - [ 0.0000406900000000, 0.0002194200000000, -0.0000238400000000 ] - [ -0.0000922200000000, 0.0003464000000000, -0.0000001100000000 ] - [ 0.0000404300000000, 0.0004728200000000, 0.0000238900000000 ] - [ 0.0000572500000000, 0.0005234800000000, -0.0000535700000000 ] - [ -0.0001027100000000, 0.0003466100000000, -0.0000001500000000 ] - [ 0.0000568500000000, 0.0001696800000000, 0.0000534800000000 ] - [ 0.0000254300000000, -0.0003608000000000, 0.0000089200000000 ] - [ -0.0000496900000000, -0.0003460700000000, 0.0000001300000000 ] - [ 0.0000249600000000, -0.0003310100000000, -0.0000093800000000 ] - [ 0.0000215000000000, -0.0003354800000000, 0.0000060700000000 ] - [ -0.0000450400000000, -0.0003460000000000, 0.0000000800000000 ] - [ 0.0000210100000000, -0.0003566400000000, -0.0000064000000000 ] - [ 0.0000532000000000, -0.0003485500000000, 0.0000377200000000 ] - [ -0.0001019500000000, -0.0003462700000000, 0.0000002500000000 ] - [ 0.0000520900000000, -0.0003434800000000, -0.0000384700000000 ] - [ 0.0000572500000000, -0.0005234800000000, -0.0000535700000000 ] - [ -0.0001027100000000, -0.0003466100000000, -0.0000001500000000 ] - [ 0.0000568500000000, -0.0001696800000000, 0.0000534800000000 ] - [ 0.0000406900000000, -0.0002194200000000, -0.0000238400000000 ] - [ -0.0000922200000000, -0.0003464000000000, -0.0000001100000000 ] - [ 0.0000404300000000, -0.0004728200000000, 0.0000238900000000 ] - [ 0.0040298000000000, -0.0006529600000000, 0.0023080300000000 ] - [ -0.0006244000000000, -0.0003465200000000, -0.0000010600000000 ] - [ 0.0039085300000000, -0.0000714000000000, -0.0021919000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0171135600000000, 0.0008647000000000 ] - [ -0.0000013000000000, -0.0004407700000000, 0.0007679600000000 ] - [ 0.0000013000000000, -0.0004407700000000, 0.0007679600000000 ] - [ 0.0000000000000000, 0.0003861500000000, 0.0008765000000000 ] - [ 0.0000869500000000, 0.0001410600000000, 0.0007721200000000 ] - [ -0.0000869500000000, 0.0001410600000000, 0.0007721200000000 ] - [ 0.0000000000000000, 0.0003846500000000, 0.0006567900000000 ] - [ -0.0000864000000000, 0.0001407800000000, 0.0007618900000000 ] - [ 0.0000864000000000, 0.0001407800000000, 0.0007618900000000 ] - [ 0.0000000000000000, -0.0000995600000000, 0.0007668100000000 ] - [ -0.0000000500000000, -0.0000721100000000, 0.0007667600000000 ] - [ 0.0000000500000000, -0.0000721100000000, 0.0007667600000000 ] - [ 0.0000000000000000, 0.0000455400000000, 0.0007183400000000 ] - [ 0.0000185500000000, 0.0000349600000000, 0.0007328000000000 ] - [ -0.0000185500000000, 0.0000349600000000, 0.0007328000000000 ] - [ 0.0000000000000000, 0.0000457800000000, 0.0008154500000000 ] - [ -0.0000185800000000, 0.0000352300000000, 0.0008009700000000 ] - [ 0.0000185800000000, 0.0000352300000000, 0.0008009700000000 ] - [ 0.0000000000000000, -0.0008814600000000, -0.0007657700000000 ] - [ -0.0000001300000000, -0.0002315100000000, -0.0007670800000000 ] - [ 0.0000001300000000, -0.0002315100000000, -0.0007670800000000 ] - [ 0.0000000000000000, 0.0002568400000000, -0.0009562100000000 ] - [ 0.0000392300000000, 0.0001123200000000, -0.0008063400000000 ] - [ -0.0000392300000000, 0.0001123200000000, -0.0008063400000000 ] - [ 0.0000000000000000, 0.0002565300000000, -0.0005781300000000 ] - [ -0.0000392800000000, 0.0001122500000000, -0.0007279500000000 ] - [ 0.0000392800000000, 0.0001122500000000, -0.0007279500000000 ] - [ 0.0000000000000000, -0.0011818900000000, -0.0007732600000000 ] - [ -0.0000012100000000, -0.0001399800000000, -0.0007679700000000 ] - [ 0.0000012100000000, -0.0001399800000000, -0.0007679700000000 ] - [ 0.0000000000000000, 0.0000898100000000, -0.0006469100000000 ] - [ 0.0000504900000000, 0.0000450600000000, -0.0006980200000000 ] - [ -0.0000504900000000, 0.0000450600000000, -0.0006980200000000 ] - [ 0.0000000000000000, 0.0000898800000000, -0.0008860700000000 ] - [ -0.0000501500000000, 0.0000454300000000, -0.0008354000000000 ] - [ 0.0000501500000000, 0.0000454300000000, -0.0008354000000000 ] - [ 0.0003581200000000, 0.0000235900000000, 0.0003795300000000 ] - [ 0.0000000000000000, -0.0000428200000000, 0.0006451300000000 ] - [ -0.0003581200000000, 0.0000235900000000, 0.0003795300000000 ] - [ -0.0000000100000000, 0.0001309200000000, 0.0007668400000000 ] - [ 0.0000000000000000, 0.0000863400000000, 0.0007669600000000 ] - [ 0.0000000100000000, 0.0001309200000000, 0.0007668400000000 ] - [ -0.0003583100000000, 0.0000237400000000, 0.0011532900000000 ] - [ 0.0000000000000000, -0.0000426100000000, 0.0008884500000000 ] - [ 0.0003583100000000, 0.0000237400000000, 0.0011532900000000 ] - [ 0.0000990700000000, 0.0000226400000000, 0.0009434000000000 ] - [ 0.0000000000000000, -0.0000431700000000, 0.0007785700000000 ] - [ -0.0000990700000000, 0.0000226400000000, 0.0009434000000000 ] - [ 0.0000000400000000, 0.0001309100000000, 0.0007671700000000 ] - [ 0.0000000000000000, 0.0000863400000000, 0.0007670600000000 ] - [ -0.0000000400000000, 0.0001309100000000, 0.0007671700000000 ] - [ -0.0000982500000000, 0.0000246900000000, 0.0005906700000000 ] - [ 0.0000000000000000, -0.0000422200000000, 0.0007553100000000 ] - [ 0.0000982500000000, 0.0000246900000000, 0.0005906700000000 ] - [ 0.0016597000000000, 0.0013895100000000, -0.0008953800000000 ] - [ 0.0000000000000000, -0.0000489500000000, -0.0006620100000000 ] - [ -0.0016597000000000, 0.0013895100000000, -0.0008953800000000 ] - [ 0.0000000300000000, 0.0001806300000000, -0.0007670900000000 ] - [ 0.0000000000000000, 0.0001053900000000, -0.0007669700000000 ] - [ -0.0000000300000000, 0.0001806300000000, -0.0007670900000000 ] - [ -0.0016442600000000, 0.0013807400000000, -0.0006424900000000 ] - [ 0.0000000000000000, -0.0000480900000000, -0.0008710800000000 ] - [ 0.0016442600000000, 0.0013807400000000, -0.0006424900000000 ] - [ 0.0000160000000000, -0.0000397800000000, -0.0007699300000000 ] - [ 0.0000000000000000, -0.0000331300000000, -0.0007623500000000 ] - [ -0.0000160000000000, -0.0000397800000000, -0.0007699300000000 ] - [ 0.0000000200000000, 0.0000852600000000, -0.0007669000000000 ] - [ 0.0000000000000000, 0.0000670000000000, -0.0007670300000000 ] - [ -0.0000000200000000, 0.0000852600000000, -0.0007669000000000 ] - [ -0.0000160300000000, -0.0000395300000000, -0.0007644500000000 ] - [ 0.0000000000000000, -0.0000329600000000, -0.0007720300000000 ] - [ 0.0000160300000000, -0.0000395300000000, -0.0007644500000000 ] - [ 0.0000000000000000, 0.0000241700000000, -0.0001005400000000 ] - [ -0.0002620400000000, 0.0003307300000000, 0.0001187900000000 ] - [ 0.0002620400000000, 0.0003307300000000, 0.0001187900000000 ] - [ 0.0000000000000000, 0.0001198300000000, -0.0000075000000000 ] - [ 0.0000023600000000, 0.0002249800000000, -0.0000044800000000 ] - [ -0.0000023600000000, 0.0002249800000000, -0.0000044800000000 ] - [ 0.0000000000000000, 0.0041415500000000, 0.0017864100000000 ] - [ 0.0002758600000000, 0.0004152400000000, -0.0001000800000000 ] - [ -0.0002758600000000, 0.0004152400000000, -0.0001000800000000 ] - [ 0.0000000000000000, 0.0003894100000000, -0.0000413200000000 ] - [ -0.0000298400000000, 0.0003773900000000, -0.0000230700000000 ] - [ 0.0000298400000000, 0.0003773900000000, -0.0000230700000000 ] - [ 0.0000000000000000, 0.0002581500000000, 0.0000070900000000 ] - [ 0.0000009700000000, 0.0002741000000000, 0.0000046100000000 ] - [ -0.0000009700000000, 0.0002741000000000, 0.0000046100000000 ] - [ 0.0000000000000000, 0.0004058600000000, 0.0000896300000000 ] - [ 0.0000288800000000, 0.0003843300000000, 0.0000274500000000 ] - [ -0.0000288800000000, 0.0003843300000000, 0.0000274500000000 ] - [ 0.0000000000000000, 0.0035518700000000, -0.0019005000000000 ] - [ -0.0002769100000000, -0.0002765000000000, 0.0001004000000000 ] - [ 0.0002769100000000, -0.0002765000000000, 0.0001004000000000 ] - [ 0.0000000000000000, -0.0005738100000000, 0.0000079300000000 ] - [ -0.0000024400000000, -0.0004670200000000, 0.0000046600000000 ] - [ 0.0000024400000000, -0.0004670200000000, 0.0000046600000000 ] - [ 0.0000000000000000, -0.0006785300000000, 0.0000934800000000 ] - [ 0.0002604900000000, -0.0003620000000000, -0.0001175400000000 ] - [ -0.0002604900000000, -0.0003620000000000, -0.0001175400000000 ] - [ 0.0000000000000000, -0.0002862000000000, -0.0000892900000000 ] - [ -0.0000287400000000, -0.0003071800000000, -0.0000267500000000 ] - [ 0.0000287400000000, -0.0003071800000000, -0.0000267500000000 ] - [ 0.0000000000000000, -0.0004368100000000, -0.0000073900000000 ] - [ -0.0000012200000000, -0.0004179800000000, -0.0000047400000000 ] - [ 0.0000012200000000, -0.0004179800000000, -0.0000047400000000 ] - [ 0.0000000000000000, -0.0003043300000000, 0.0000415300000000 ] - [ 0.0000298800000000, -0.0003152900000000, 0.0000233300000000 ] - [ -0.0000298800000000, -0.0003152900000000, 0.0000233300000000 ] - [ -0.0000101700000000, 0.0005302400000000, 0.0000648200000000 ] - [ 0.0000000000000000, 0.0004455000000000, 0.0000193100000000 ] - [ 0.0000101700000000, 0.0005302400000000, 0.0000648200000000 ] - [ -0.0000341500000000, 0.0002542600000000, 0.0000621400000000 ] - [ 0.0000000000000000, 0.0002917600000000, 0.0000266500000000 ] - [ 0.0000341500000000, 0.0002542600000000, 0.0000621400000000 ] - [ 0.0000398400000000, 0.0002581900000000, -0.0001029200000000 ] - [ 0.0000000000000000, 0.0003000500000000, -0.0000449400000000 ] - [ -0.0000398400000000, 0.0002581900000000, -0.0001029200000000 ] - [ 0.0016938300000000, 0.0020509200000000, 0.0011566700000000 ] - [ 0.0000000000000000, 0.0004763500000000, -0.0000103200000000 ] - [ -0.0016938300000000, 0.0020509200000000, 0.0011566700000000 ] - [ -0.0000828900000000, 0.0001482500000000, -0.0000901800000000 ] - [ 0.0000000000000000, 0.0002805400000000, -0.0000264700000000 ] - [ 0.0000828900000000, 0.0001482500000000, -0.0000901800000000 ] - [ 0.0000765300000000, 0.0001253700000000, 0.0001666800000000 ] - [ 0.0000000000000000, 0.0002968700000000, 0.0000436100000000 ] - [ -0.0000765300000000, 0.0001253700000000, 0.0001666800000000 ] - [ -0.0000398000000000, -0.0004342200000000, 0.0001032000000000 ] - [ 0.0000000000000000, -0.0003909400000000, 0.0000453100000000 ] - [ 0.0000398000000000, -0.0004342200000000, 0.0001032000000000 ] - [ 0.0000342400000000, -0.0004383000000000, -0.0000619500000000 ] - [ 0.0000000000000000, -0.0003995500000000, -0.0000263700000000 ] - [ -0.0000342400000000, -0.0004383000000000, -0.0000619500000000 ] - [ 0.0000104700000000, -0.0001623400000000, -0.0000645700000000 ] - [ 0.0000000000000000, -0.0002464300000000, -0.0000188700000000 ] - [ -0.0000104700000000, -0.0001623400000000, -0.0000645700000000 ] - [ -0.0000770000000000, -0.0005682700000000, -0.0001678900000000 ] - [ 0.0000000000000000, -0.0003945300000000, -0.0000439800000000 ] - [ 0.0000770000000000, -0.0005682700000000, -0.0001678900000000 ] - [ 0.0000822600000000, -0.0005437900000000, 0.0000895400000000 ] - [ 0.0000000000000000, -0.0004114700000000, 0.0000262000000000 ] - [ -0.0000822600000000, -0.0005437900000000, 0.0000895400000000 ] - [ -0.0016686100000000, 0.0013563600000000, -0.0011383300000000 ] - [ 0.0000000000000000, -0.0002161800000000, 0.0000097000000000 ] - [ 0.0016686100000000, 0.0013563600000000, -0.0011383300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0202362700000000 ] - [ 0.0000709800000000, 0.0000000000000000, 0.0001112300000000 ] - [ -0.0000709800000000, 0.0000000000000000, 0.0001112300000000 ] - [ 0.0000000000000000, -0.0001099200000000, 0.0004376000000000 ] - [ -0.0000195900000000, -0.0000052200000000, 0.0006657800000000 ] - [ 0.0000195900000000, -0.0000052200000000, 0.0006657800000000 ] - [ 0.0000000000000000, 0.0001099200000000, 0.0004376000000000 ] - [ -0.0000195900000000, 0.0000052200000000, 0.0006657800000000 ] - [ 0.0000195900000000, 0.0000052200000000, 0.0006657800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011209100000000 ] - [ -0.0000492200000000, 0.0000000000000000, 0.0009464600000000 ] - [ 0.0000492200000000, 0.0000000000000000, 0.0009464600000000 ] - [ 0.0000000000000000, 0.0000486400000000, 0.0009079900000000 ] - [ -0.0000219300000000, 0.0000340700000000, 0.0008542000000000 ] - [ 0.0000219300000000, 0.0000340700000000, 0.0008542000000000 ] - [ 0.0000000000000000, -0.0000486400000000, 0.0009079900000000 ] - [ -0.0000219300000000, -0.0000340700000000, 0.0008542000000000 ] - [ 0.0000219300000000, -0.0000340700000000, 0.0008542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009685700000000 ] - [ -0.0001699600000000, 0.0000000000000000, -0.0006955900000000 ] - [ 0.0001699600000000, 0.0000000000000000, -0.0006955900000000 ] - [ 0.0000000000000000, -0.0001887500000000, -0.0005380400000000 ] - [ -0.0000526300000000, -0.0000392200000000, -0.0007360400000000 ] - [ 0.0000526300000000, -0.0000392200000000, -0.0007360400000000 ] - [ 0.0000000000000000, 0.0001887500000000, -0.0005380400000000 ] - [ -0.0000526300000000, 0.0000392200000000, -0.0007360400000000 ] - [ 0.0000526300000000, 0.0000392200000000, -0.0007360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031847600000000 ] - [ 0.0004472300000000, 0.0000000000000000, -0.0003404800000000 ] - [ -0.0004472300000000, 0.0000000000000000, -0.0003404800000000 ] - [ 0.0000000000000000, 0.0001196500000000, -0.0008114800000000 ] - [ 0.0000120800000000, 0.0000685800000000, -0.0007841600000000 ] - [ -0.0000120800000000, 0.0000685800000000, -0.0007841600000000 ] - [ 0.0000000000000000, -0.0001196500000000, -0.0008114800000000 ] - [ 0.0000120800000000, -0.0000685800000000, -0.0007841600000000 ] - [ -0.0000120800000000, -0.0000685800000000, -0.0007841600000000 ] - [ -0.0004094300000000, -0.0001756400000000, 0.0010559500000000 ] - [ 0.0000000000000000, -0.0000116000000000, 0.0008101200000000 ] - [ 0.0004094300000000, -0.0001756400000000, 0.0010559500000000 ] - [ -0.0000483200000000, 0.0000000000000000, 0.0007788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007767200000000 ] - [ 0.0000483200000000, 0.0000000000000000, 0.0007788200000000 ] - [ -0.0004094300000000, 0.0001756400000000, 0.0010559500000000 ] - [ 0.0000000000000000, 0.0000116000000000, 0.0008101200000000 ] - [ 0.0004094300000000, 0.0001756400000000, 0.0010559500000000 ] - [ 0.0001517100000000, 0.0003866700000000, 0.0010560300000000 ] - [ 0.0000000000000000, 0.0001212100000000, 0.0008098800000000 ] - [ -0.0001517100000000, 0.0003866700000000, 0.0010560300000000 ] - [ 0.0000032900000000, 0.0000000000000000, 0.0007787500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007766300000000 ] - [ -0.0000032900000000, 0.0000000000000000, 0.0007787500000000 ] - [ 0.0001517100000000, -0.0003866700000000, 0.0010560300000000 ] - [ 0.0000000000000000, -0.0001212100000000, 0.0008098800000000 ] - [ -0.0001517100000000, -0.0003866700000000, 0.0010560300000000 ] - [ -0.0003911800000000, -0.0001292900000000, -0.0017254600000000 ] - [ 0.0000000000000000, 0.0001042700000000, -0.0009738700000000 ] - [ 0.0003911800000000, -0.0001292900000000, -0.0017254600000000 ] - [ -0.0000459000000000, 0.0000000000000000, -0.0008566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008258200000000 ] - [ 0.0000459000000000, 0.0000000000000000, -0.0008566100000000 ] - [ -0.0003911800000000, 0.0001292900000000, -0.0017254600000000 ] - [ 0.0000000000000000, -0.0001042700000000, -0.0009738700000000 ] - [ 0.0003911800000000, 0.0001292900000000, -0.0017254600000000 ] - [ 0.0000418700000000, -0.0000025800000000, -0.0005439300000000 ] - [ 0.0000000000000000, 0.0000047900000000, -0.0006449200000000 ] - [ -0.0000418700000000, -0.0000025800000000, -0.0005439300000000 ] - [ 0.0000006100000000, 0.0000000000000000, -0.0007005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007275000000000 ] - [ -0.0000006100000000, 0.0000000000000000, -0.0007005600000000 ] - [ 0.0000418700000000, 0.0000025800000000, -0.0005439300000000 ] - [ 0.0000000000000000, -0.0000047900000000, -0.0006449200000000 ] - [ -0.0000418700000000, 0.0000025800000000, -0.0005439300000000 ] - [ 0.0000000000000000, 0.0013939500000000, 0.0003768500000000 ] - [ 0.0001401100000000, 0.0003843600000000, 0.0001177500000000 ] - [ -0.0001401100000000, 0.0003843600000000, 0.0001177500000000 ] - [ 0.0000000000000000, 0.0003321500000000, 0.0000405400000000 ] - [ 0.0000252500000000, 0.0003462200000000, 0.0000331000000000 ] - [ -0.0000252500000000, 0.0003462200000000, 0.0000331000000000 ] - [ 0.0000000000000000, 0.0034444400000000, 0.0027369100000000 ] - [ 0.0002102600000000, 0.0003334500000000, 0.0001639300000000 ] - [ -0.0002102600000000, 0.0003334500000000, 0.0001639300000000 ] - [ 0.0000000000000000, 0.0001593300000000, -0.0002312300000000 ] - [ -0.0000484900000000, 0.0002680900000000, -0.0001219700000000 ] - [ 0.0000484900000000, 0.0002680900000000, -0.0001219700000000 ] - [ 0.0000000000000000, 0.0003509000000000, -0.0000418100000000 ] - [ 0.0000033500000000, 0.0003489400000000, -0.0000332100000000 ] - [ -0.0000033500000000, 0.0003489400000000, -0.0000332100000000 ] - [ 0.0000000000000000, 0.0005757400000000, -0.0003826000000000 ] - [ -0.0000531100000000, 0.0004144600000000, -0.0001812500000000 ] - [ 0.0000531100000000, 0.0004144600000000, -0.0001812500000000 ] - [ 0.0000000000000000, -0.0034444400000000, 0.0027369100000000 ] - [ 0.0002102600000000, -0.0003334500000000, 0.0001639300000000 ] - [ -0.0002102600000000, -0.0003334500000000, 0.0001639300000000 ] - [ 0.0000000000000000, -0.0003321500000000, 0.0000405400000000 ] - [ 0.0000252500000000, -0.0003462200000000, 0.0000331000000000 ] - [ -0.0000252500000000, -0.0003462200000000, 0.0000331000000000 ] - [ 0.0000000000000000, -0.0013939500000000, 0.0003768500000000 ] - [ 0.0001401100000000, -0.0003843600000000, 0.0001177500000000 ] - [ -0.0001401100000000, -0.0003843600000000, 0.0001177500000000 ] - [ 0.0000000000000000, -0.0005757400000000, -0.0003826000000000 ] - [ -0.0000531100000000, -0.0004144600000000, -0.0001812500000000 ] - [ 0.0000531100000000, -0.0004144600000000, -0.0001812500000000 ] - [ 0.0000000000000000, -0.0003509000000000, -0.0000418100000000 ] - [ 0.0000033500000000, -0.0003489400000000, -0.0000332100000000 ] - [ -0.0000033500000000, -0.0003489400000000, -0.0000332100000000 ] - [ 0.0000000000000000, -0.0001593300000000, -0.0002312300000000 ] - [ -0.0000484900000000, -0.0002680900000000, -0.0001219700000000 ] - [ 0.0000484900000000, -0.0002680900000000, -0.0001219700000000 ] - [ 0.0001423900000000, 0.0003531300000000, -0.0003176100000000 ] - [ 0.0000000000000000, 0.0003530900000000, -0.0000991700000000 ] - [ -0.0001423900000000, 0.0003531300000000, -0.0003176100000000 ] - [ 0.0000401700000000, 0.0003799700000000, -0.0001049100000000 ] - [ 0.0000000000000000, 0.0003468600000000, -0.0000489500000000 ] - [ -0.0000401700000000, 0.0003799700000000, -0.0001049100000000 ] - [ 0.0000440100000000, 0.0003107000000000, -0.0001506800000000 ] - [ 0.0000000000000000, 0.0003505200000000, -0.0000650700000000 ] - [ -0.0000440100000000, 0.0003107000000000, -0.0001506800000000 ] - [ 0.0025227700000000, 0.0005658400000000, 0.0029703800000000 ] - [ 0.0000000000000000, 0.0003118000000000, 0.0000952300000000 ] - [ -0.0025227700000000, 0.0005658400000000, 0.0029703800000000 ] - [ 0.0000142200000000, 0.0002681100000000, 0.0001051100000000 ] - [ 0.0000000000000000, 0.0003061800000000, 0.0000485600000000 ] - [ -0.0000142200000000, 0.0002681100000000, 0.0001051100000000 ] - [ 0.0000233500000000, 0.0004505800000000, 0.0001608600000000 ] - [ 0.0000000000000000, 0.0003943100000000, 0.0000647000000000 ] - [ -0.0000233500000000, 0.0004505800000000, 0.0001608600000000 ] - [ 0.0000440100000000, -0.0003107000000000, -0.0001506800000000 ] - [ 0.0000000000000000, -0.0003505200000000, -0.0000650700000000 ] - [ -0.0000440100000000, -0.0003107000000000, -0.0001506800000000 ] - [ 0.0000401700000000, -0.0003799700000000, -0.0001049100000000 ] - [ 0.0000000000000000, -0.0003468600000000, -0.0000489500000000 ] - [ -0.0000401700000000, -0.0003799700000000, -0.0001049100000000 ] - [ 0.0001423900000000, -0.0003531300000000, -0.0003176100000000 ] - [ 0.0000000000000000, -0.0003530900000000, -0.0000991700000000 ] - [ -0.0001423900000000, -0.0003531300000000, -0.0003176100000000 ] - [ 0.0000233500000000, -0.0004505800000000, 0.0001608600000000 ] - [ 0.0000000000000000, -0.0003943100000000, 0.0000647000000000 ] - [ -0.0000233500000000, -0.0004505800000000, 0.0001608600000000 ] - [ 0.0000142200000000, -0.0002681100000000, 0.0001051100000000 ] - [ 0.0000000000000000, -0.0003061800000000, 0.0000485600000000 ] - [ -0.0000142200000000, -0.0002681100000000, 0.0001051100000000 ] - [ 0.0025227700000000, -0.0005658400000000, 0.0029703800000000 ] - [ 0.0000000000000000, -0.0003118000000000, 0.0000952300000000 ] - [ -0.0025227700000000, -0.0005658400000000, 0.0029703800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0216779500000000 ] - [ -0.0000733200000000, 0.0000000000000000, 0.0014242700000000 ] - [ 0.0000733200000000, 0.0000000000000000, 0.0014242700000000 ] - [ 0.0000000000000000, 0.0001097500000000, 0.0010963500000000 ] - [ 0.0000196300000000, 0.0000050700000000, 0.0008681000000000 ] - [ -0.0000196300000000, 0.0000050700000000, 0.0008681000000000 ] - [ 0.0000000000000000, -0.0001097500000000, 0.0010963500000000 ] - [ 0.0000196300000000, -0.0000050700000000, 0.0008681000000000 ] - [ -0.0000196300000000, -0.0000050700000000, 0.0008681000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004126700000000 ] - [ 0.0000497000000000, 0.0000000000000000, 0.0005865500000000 ] - [ -0.0000497000000000, 0.0000000000000000, 0.0005865500000000 ] - [ 0.0000000000000000, -0.0000483600000000, 0.0006256800000000 ] - [ 0.0000219900000000, -0.0000341000000000, 0.0006792700000000 ] - [ -0.0000219900000000, -0.0000341000000000, 0.0006792700000000 ] - [ 0.0000000000000000, 0.0000483600000000, 0.0006256800000000 ] - [ 0.0000219900000000, 0.0000341000000000, 0.0006792700000000 ] - [ -0.0000219900000000, 0.0000341000000000, 0.0006792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025207600000000 ] - [ 0.0001709000000000, 0.0000000000000000, -0.0008380600000000 ] - [ -0.0001709000000000, 0.0000000000000000, -0.0008380600000000 ] - [ 0.0000000000000000, 0.0001893300000000, -0.0009960400000000 ] - [ 0.0000526900000000, 0.0000392700000000, -0.0007976400000000 ] - [ -0.0000526900000000, 0.0000392700000000, -0.0007976400000000 ] - [ 0.0000000000000000, -0.0001893300000000, -0.0009960400000000 ] - [ 0.0000526900000000, -0.0000392700000000, -0.0007976400000000 ] - [ -0.0000526900000000, -0.0000392700000000, -0.0007976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046678900000000 ] - [ -0.0004469100000000, 0.0000000000000000, -0.0011930600000000 ] - [ 0.0004469100000000, 0.0000000000000000, -0.0011930600000000 ] - [ 0.0000000000000000, -0.0001194700000000, -0.0007223500000000 ] - [ -0.0000120100000000, -0.0000687800000000, -0.0007495800000000 ] - [ 0.0000120100000000, -0.0000687800000000, -0.0007495800000000 ] - [ 0.0000000000000000, 0.0001194700000000, -0.0007223500000000 ] - [ -0.0000120100000000, 0.0000687800000000, -0.0007495800000000 ] - [ 0.0000120100000000, 0.0000687800000000, -0.0007495800000000 ] - [ 0.0004107100000000, 0.0001770700000000, 0.0004770200000000 ] - [ 0.0000000000000000, 0.0000116400000000, 0.0007236400000000 ] - [ -0.0004107100000000, 0.0001770700000000, 0.0004770200000000 ] - [ 0.0000483200000000, 0.0000000000000000, 0.0007548800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007571100000000 ] - [ -0.0000483200000000, 0.0000000000000000, 0.0007548800000000 ] - [ 0.0004107100000000, -0.0001770700000000, 0.0004770200000000 ] - [ 0.0000000000000000, -0.0000116400000000, 0.0007236400000000 ] - [ -0.0004107100000000, -0.0001770700000000, 0.0004770200000000 ] - [ -0.0001498400000000, -0.0003869800000000, 0.0004770000000000 ] - [ 0.0000000000000000, -0.0001219500000000, 0.0007233500000000 ] - [ 0.0001498400000000, -0.0003869800000000, 0.0004770000000000 ] - [ -0.0000033100000000, 0.0000000000000000, 0.0007549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007570600000000 ] - [ 0.0000033100000000, 0.0000000000000000, 0.0007549300000000 ] - [ -0.0001498400000000, 0.0003869800000000, 0.0004770000000000 ] - [ 0.0000000000000000, 0.0001219500000000, 0.0007233500000000 ] - [ 0.0001498400000000, 0.0003869800000000, 0.0004770000000000 ] - [ 0.0003871800000000, 0.0001236000000000, 0.0001942900000000 ] - [ 0.0000000000000000, -0.0001047600000000, -0.0005591500000000 ] - [ -0.0003871800000000, 0.0001236000000000, 0.0001942900000000 ] - [ 0.0000459400000000, 0.0000000000000000, -0.0006769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007078400000000 ] - [ -0.0000459400000000, 0.0000000000000000, -0.0006769800000000 ] - [ 0.0003871800000000, -0.0001236000000000, 0.0001942900000000 ] - [ 0.0000000000000000, 0.0001047600000000, -0.0005591500000000 ] - [ -0.0003871800000000, -0.0001236000000000, 0.0001942900000000 ] - [ -0.0000412900000000, 0.0000028900000000, -0.0009901500000000 ] - [ 0.0000000000000000, -0.0000047800000000, -0.0008891600000000 ] - [ 0.0000412900000000, 0.0000028900000000, -0.0009901500000000 ] - [ -0.0000006200000000, 0.0000000000000000, -0.0008333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008064300000000 ] - [ 0.0000006200000000, 0.0000000000000000, -0.0008333100000000 ] - [ -0.0000412900000000, -0.0000028900000000, -0.0009901500000000 ] - [ 0.0000000000000000, 0.0000047800000000, -0.0008891600000000 ] - [ 0.0000412900000000, -0.0000028900000000, -0.0009901500000000 ] - [ 0.0000000000000000, -0.0007043000000000, -0.0003934000000000 ] - [ -0.0001401900000000, 0.0003063000000000, -0.0001185400000000 ] - [ 0.0001401900000000, 0.0003063000000000, -0.0001185400000000 ] - [ 0.0000000000000000, 0.0003587400000000, -0.0000405500000000 ] - [ -0.0000253100000000, 0.0003443100000000, -0.0000332600000000 ] - [ 0.0000253100000000, 0.0003443100000000, -0.0000332600000000 ] - [ 0.0000000000000000, -0.0028610000000000, -0.0027912600000000 ] - [ -0.0002108100000000, 0.0003574500000000, -0.0001648000000000 ] - [ 0.0002108100000000, 0.0003574500000000, -0.0001648000000000 ] - [ 0.0000000000000000, 0.0005308500000000, 0.0002310400000000 ] - [ 0.0000482700000000, 0.0004230200000000, 0.0001225100000000 ] - [ -0.0000482700000000, 0.0004230200000000, 0.0001225100000000 ] - [ 0.0000000000000000, 0.0003409100000000, 0.0000418200000000 ] - [ -0.0000034900000000, 0.0003419900000000, 0.0000333300000000 ] - [ 0.0000034900000000, 0.0003419900000000, 0.0000333300000000 ] - [ 0.0000000000000000, 0.0001172600000000, 0.0003817300000000 ] - [ 0.0000529700000000, 0.0002758400000000, 0.0001822400000000 ] - [ -0.0000529700000000, 0.0002758400000000, 0.0001822400000000 ] - [ 0.0000000000000000, 0.0028610000000000, -0.0027912600000000 ] - [ -0.0002108100000000, -0.0003574500000000, -0.0001648000000000 ] - [ 0.0002108100000000, -0.0003574500000000, -0.0001648000000000 ] - [ 0.0000000000000000, -0.0003587400000000, -0.0000405500000000 ] - [ -0.0000253100000000, -0.0003443100000000, -0.0000332600000000 ] - [ 0.0000253100000000, -0.0003443100000000, -0.0000332600000000 ] - [ 0.0000000000000000, 0.0007043000000000, -0.0003934000000000 ] - [ -0.0001401900000000, -0.0003063000000000, -0.0001185400000000 ] - [ 0.0001401900000000, -0.0003063000000000, -0.0001185400000000 ] - [ 0.0000000000000000, -0.0001172600000000, 0.0003817300000000 ] - [ 0.0000529700000000, -0.0002758400000000, 0.0001822400000000 ] - [ -0.0000529700000000, -0.0002758400000000, 0.0001822400000000 ] - [ 0.0000000000000000, -0.0003409100000000, 0.0000418200000000 ] - [ -0.0000034900000000, -0.0003419900000000, 0.0000333300000000 ] - [ 0.0000034900000000, -0.0003419900000000, 0.0000333300000000 ] - [ 0.0000000000000000, -0.0005308500000000, 0.0002310400000000 ] - [ 0.0000482700000000, -0.0004230200000000, 0.0001225100000000 ] - [ -0.0000482700000000, -0.0004230200000000, 0.0001225100000000 ] - [ -0.0001433800000000, 0.0003375500000000, 0.0003185800000000 ] - [ 0.0000000000000000, 0.0003376400000000, 0.0000993900000000 ] - [ 0.0001433800000000, 0.0003375500000000, 0.0003185800000000 ] - [ -0.0000402100000000, 0.0003106600000000, 0.0001049800000000 ] - [ 0.0000000000000000, 0.0003434600000000, 0.0000491200000000 ] - [ 0.0000402100000000, 0.0003106600000000, 0.0001049800000000 ] - [ -0.0000440600000000, 0.0003805400000000, 0.0001506800000000 ] - [ 0.0000000000000000, 0.0003398500000000, 0.0000651900000000 ] - [ 0.0000440600000000, 0.0003805400000000, 0.0001506800000000 ] - [ -0.0024382600000000, 0.0001422800000000, -0.0029207900000000 ] - [ 0.0000000000000000, 0.0003799100000000, -0.0000961400000000 ] - [ 0.0024382600000000, 0.0001422800000000, -0.0029207900000000 ] - [ -0.0000146100000000, 0.0004228900000000, -0.0001052900000000 ] - [ 0.0000000000000000, 0.0003848400000000, -0.0000487700000000 ] - [ 0.0000146100000000, 0.0004228900000000, -0.0001052900000000 ] - [ -0.0000235300000000, 0.0002402600000000, -0.0001608100000000 ] - [ 0.0000000000000000, 0.0002965100000000, -0.0000648500000000 ] - [ 0.0000235300000000, 0.0002402600000000, -0.0001608100000000 ] - [ -0.0000440600000000, -0.0003805400000000, 0.0001506800000000 ] - [ 0.0000000000000000, -0.0003398500000000, 0.0000651900000000 ] - [ 0.0000440600000000, -0.0003805400000000, 0.0001506800000000 ] - [ -0.0000402100000000, -0.0003106600000000, 0.0001049800000000 ] - [ 0.0000000000000000, -0.0003434600000000, 0.0000491200000000 ] - [ 0.0000402100000000, -0.0003106600000000, 0.0001049800000000 ] - [ -0.0001433800000000, -0.0003375500000000, 0.0003185800000000 ] - [ 0.0000000000000000, -0.0003376400000000, 0.0000993900000000 ] - [ 0.0001433800000000, -0.0003375500000000, 0.0003185800000000 ] - [ -0.0000235300000000, -0.0002402600000000, -0.0001608100000000 ] - [ 0.0000000000000000, -0.0002965100000000, -0.0000648500000000 ] - [ 0.0000235300000000, -0.0002402600000000, -0.0001608100000000 ] - [ -0.0000146100000000, -0.0004228900000000, -0.0001052900000000 ] - [ 0.0000000000000000, -0.0003848400000000, -0.0000487700000000 ] - [ 0.0000146100000000, -0.0004228900000000, -0.0001052900000000 ] - [ -0.0024382600000000, -0.0001422800000000, -0.0029207900000000 ] - [ 0.0000000000000000, -0.0003799100000000, -0.0000961400000000 ] - [ 0.0024382600000000, -0.0001422800000000, -0.0029207900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007096800000000, -0.0000022400000000, 0.0007694700000000 ] - [ -0.0002417400000000, 0.0002620000000000, 0.0006268900000000 ] - [ -0.0002416400000000, -0.0002606800000000, 0.0009073400000000 ] - [ 0.0005518100000000, 0.0000005700000000, 0.0007658800000000 ] - [ -0.0003081800000000, -0.0002770900000000, 0.0005564000000000 ] - [ -0.0003098200000000, 0.0002755800000000, 0.0009776200000000 ] - [ 0.0000443500000000, 0.0000002100000000, 0.0007668800000000 ] - [ -0.0000221700000000, -0.0000022700000000, 0.0007417200000000 ] - [ -0.0000221900000000, 0.0000026000000000, 0.0007922400000000 ] - [ 0.0002036700000000, 0.0000000000000000, 0.0007670200000000 ] - [ -0.0001024200000000, 0.0000298800000000, 0.0008154400000000 ] - [ -0.0001021700000000, -0.0000297000000000, 0.0007187600000000 ] - [ 0.0002289300000000, 0.0000000400000000, 0.0007664100000000 ] - [ -0.0001152300000000, -0.0000290900000000, 0.0008197000000000 ] - [ -0.0001156000000000, 0.0000286900000000, 0.0007136300000000 ] - [ 0.0000400500000000, 0.0000000600000000, 0.0007665800000000 ] - [ -0.0000201900000000, -0.0000009000000000, 0.0007633600000000 ] - [ -0.0000200400000000, 0.0000012200000000, 0.0007701400000000 ] - [ 0.0007096800000000, -0.0000022400000000, -0.0007694700000000 ] - [ -0.0002417400000000, 0.0002620000000000, -0.0006268900000000 ] - [ -0.0002416400000000, -0.0002606800000000, -0.0009073400000000 ] - [ 0.0005518100000000, 0.0000005700000000, -0.0007658800000000 ] - [ -0.0003081800000000, -0.0002770900000000, -0.0005564000000000 ] - [ -0.0003098200000000, 0.0002755800000000, -0.0009776200000000 ] - [ 0.0000443500000000, 0.0000002100000000, -0.0007668800000000 ] - [ -0.0000221700000000, -0.0000022700000000, -0.0007417200000000 ] - [ -0.0000221900000000, 0.0000026000000000, -0.0007922400000000 ] - [ 0.0002036700000000, 0.0000000000000000, -0.0007670200000000 ] - [ -0.0001024200000000, 0.0000298800000000, -0.0008154400000000 ] - [ -0.0001021700000000, -0.0000297000000000, -0.0007187600000000 ] - [ 0.0002289300000000, 0.0000000400000000, -0.0007664100000000 ] - [ -0.0001152300000000, -0.0000290900000000, -0.0008197000000000 ] - [ -0.0001156000000000, 0.0000286900000000, -0.0007136300000000 ] - [ 0.0000400500000000, 0.0000000600000000, -0.0007665800000000 ] - [ -0.0000201900000000, -0.0000009000000000, -0.0007633600000000 ] - [ -0.0000200400000000, 0.0000012200000000, -0.0007701400000000 ] - [ 0.0040396900000000, -0.0017214000000000, -0.0017824600000000 ] - [ -0.0006245400000000, -0.0000001900000000, 0.0007668400000000 ] - [ 0.0038984600000000, 0.0016412300000000, 0.0031791200000000 ] - [ 0.0000572300000000, -0.0000761300000000, 0.0007430400000000 ] - [ -0.0001027500000000, -0.0000000700000000, 0.0007666000000000 ] - [ 0.0000566900000000, 0.0000772000000000, 0.0007897300000000 ] - [ 0.0000405100000000, 0.0000827600000000, 0.0007522600000000 ] - [ -0.0000922800000000, 0.0000002200000000, 0.0007666900000000 ] - [ 0.0000405000000000, -0.0000824900000000, 0.0007810300000000 ] - [ 0.0000525500000000, 0.0000096500000000, 0.0006237400000000 ] - [ -0.0001020400000000, -0.0000002300000000, 0.0007666100000000 ] - [ 0.0000524800000000, -0.0000106000000000, 0.0009094100000000 ] - [ 0.0000249800000000, -0.0000398200000000, 0.0007229200000000 ] - [ -0.0000496400000000, -0.0000000200000000, 0.0007668100000000 ] - [ 0.0000251600000000, 0.0000398700000000, 0.0008109700000000 ] - [ 0.0000209200000000, 0.0000343500000000, 0.0007266700000000 ] - [ -0.0000450900000000, 0.0000000800000000, 0.0007667200000000 ] - [ 0.0000211300000000, -0.0000340700000000, 0.0008068500000000 ] - [ 0.0040396900000000, -0.0017214000000000, 0.0017824600000000 ] - [ -0.0006245400000000, -0.0000001900000000, -0.0007668400000000 ] - [ 0.0038984600000000, 0.0016412300000000, -0.0031791200000000 ] - [ 0.0000572300000000, -0.0000761300000000, -0.0007430400000000 ] - [ -0.0001027500000000, -0.0000000700000000, -0.0007666000000000 ] - [ 0.0000566900000000, 0.0000772000000000, -0.0007897300000000 ] - [ 0.0000405100000000, 0.0000827600000000, -0.0007522600000000 ] - [ -0.0000922800000000, 0.0000002200000000, -0.0007666900000000 ] - [ 0.0000405000000000, -0.0000824900000000, -0.0007810300000000 ] - [ 0.0000525500000000, 0.0000096500000000, -0.0006237400000000 ] - [ -0.0001020400000000, -0.0000002300000000, -0.0007666100000000 ] - [ 0.0000524800000000, -0.0000106000000000, -0.0009094100000000 ] - [ 0.0000249800000000, -0.0000398200000000, -0.0007229200000000 ] - [ -0.0000496400000000, -0.0000000200000000, -0.0007668100000000 ] - [ 0.0000251600000000, 0.0000398700000000, -0.0008109700000000 ] - [ 0.0000209200000000, 0.0000343500000000, -0.0007266700000000 ] - [ -0.0000450900000000, 0.0000000800000000, -0.0007667200000000 ] - [ 0.0000211300000000, -0.0000340700000000, -0.0008068500000000 ] - [ -0.0195251700000000, 0.0001983200000000, 0.0000000000000000 ] - [ 0.0013487400000000, 0.0002838000000000, 0.0000000000000000 ] - [ 0.0013462000000000, 0.0004024000000000, 0.0000000000000000 ] - [ -0.0000289100000000, 0.0003442600000000, 0.0000000000000000 ] - [ 0.0000558200000000, 0.0004189200000000, 0.0000000000000000 ] - [ 0.0000564000000000, 0.0002673000000000, 0.0000000000000000 ] - [ -0.0000289700000000, 0.0003449500000000, 0.0000000000000000 ] - [ 0.0000561600000000, 0.0002565900000000, 0.0000000000000000 ] - [ 0.0000561700000000, 0.0004293300000000, 0.0000000000000000 ] - [ -0.0001439000000000, 0.0003443300000000, 0.0000000000000000 ] - [ 0.0000740900000000, 0.0003366900000000, 0.0000000000000000 ] - [ 0.0000739800000000, 0.0003503900000000, 0.0000000000000000 ] - [ -0.0000624600000000, 0.0003452000000000, 0.0000000000000000 ] - [ 0.0000304700000000, 0.0003620900000000, 0.0000000000000000 ] - [ 0.0000305900000000, 0.0003248800000000, 0.0000000000000000 ] - [ -0.0000626000000000, 0.0003440200000000, 0.0000000000000000 ] - [ 0.0000306300000000, 0.0003223900000000, 0.0000000000000000 ] - [ 0.0000305200000000, 0.0003636800000000, 0.0000000000000000 ] - [ 0.0002608800000000, -0.0000279700000000, 0.0000000000000000 ] - [ 0.0008088700000000, -0.0004943000000000, 0.0000000000000000 ] - [ 0.0008084400000000, -0.0001899400000000, 0.0000000000000000 ] - [ -0.0002347700000000, -0.0003473900000000, 0.0000000000000000 ] - [ 0.0000543100000000, -0.0002369100000000, 0.0000000000000000 ] - [ 0.0000550100000000, -0.0004497700000000, 0.0000000000000000 ] - [ -0.0001685300000000, -0.0003447600000000, 0.0000000000000000 ] - [ 0.0000470300000000, -0.0004094000000000, 0.0000000000000000 ] - [ 0.0000471700000000, -0.0002778600000000, 0.0000000000000000 ] - [ -0.0001425000000000, -0.0003436600000000, 0.0000000000000000 ] - [ 0.0000694700000000, -0.0003435500000000, 0.0000000000000000 ] - [ 0.0000692900000000, -0.0003427600000000, 0.0000000000000000 ] - [ -0.0000656600000000, -0.0003453700000000, 0.0000000000000000 ] - [ 0.0000325800000000, -0.0003192800000000, 0.0000000000000000 ] - [ 0.0000326700000000, -0.0003676600000000, 0.0000000000000000 ] - [ -0.0000581200000000, -0.0003441300000000, 0.0000000000000000 ] - [ 0.0000298200000000, -0.0003587200000000, 0.0000000000000000 ] - [ 0.0000296400000000, -0.0003276600000000, 0.0000000000000000 ] - [ -0.0000710300000000, 0.0000365700000000, -0.0002454000000000 ] - [ 0.0001822000000000, 0.0003429900000000, -0.0000001400000000 ] - [ -0.0000709500000000, 0.0006488100000000, 0.0002464900000000 ] - [ -0.0000715200000000, 0.0005356300000000, -0.0001236200000000 ] - [ 0.0001821200000000, 0.0003434200000000, 0.0000000600000000 ] - [ -0.0000704000000000, 0.0001521500000000, 0.0001245900000000 ] - [ -0.0000189100000000, 0.0003395400000000, -0.0000061800000000 ] - [ 0.0000363100000000, 0.0003430700000000, 0.0000000100000000 ] - [ -0.0000189400000000, 0.0003468600000000, 0.0000062800000000 ] - [ -0.0000710300000000, 0.0000365700000000, 0.0002454000000000 ] - [ 0.0001822000000000, 0.0003429900000000, 0.0000001400000000 ] - [ -0.0000709500000000, 0.0006488100000000, -0.0002464900000000 ] - [ -0.0000715200000000, 0.0005356300000000, 0.0001236200000000 ] - [ 0.0001821200000000, 0.0003434200000000, -0.0000000600000000 ] - [ -0.0000704000000000, 0.0001521500000000, -0.0001245900000000 ] - [ -0.0000189100000000, 0.0003395400000000, 0.0000061800000000 ] - [ 0.0000363100000000, 0.0003430700000000, -0.0000000100000000 ] - [ -0.0000189400000000, 0.0003468600000000, -0.0000062800000000 ] - [ -0.0000497300000000, -0.0000912900000000, -0.0004393400000000 ] - [ 0.0002012200000000, -0.0003426800000000, -0.0000000900000000 ] - [ -0.0000477700000000, -0.0005950800000000, 0.0004426600000000 ] - [ -0.0000179800000000, -0.0003371100000000, -0.0000069700000000 ] - [ 0.0000363900000000, -0.0003434000000000, 0.0000000800000000 ] - [ -0.0000179400000000, -0.0003501600000000, 0.0000072900000000 ] - [ -0.0001605100000000, -0.0005656500000000, -0.0001509400000000 ] - [ 0.0001591800000000, -0.0003433500000000, -0.0000000700000000 ] - [ -0.0001595200000000, -0.0001237400000000, 0.0001501400000000 ] - [ -0.0000497300000000, -0.0000912900000000, 0.0004393400000000 ] - [ 0.0002012200000000, -0.0003426800000000, 0.0000000900000000 ] - [ -0.0000477700000000, -0.0005950800000000, -0.0004426600000000 ] - [ -0.0000179800000000, -0.0003371100000000, 0.0000069700000000 ] - [ 0.0000363900000000, -0.0003434000000000, -0.0000000800000000 ] - [ -0.0000179400000000, -0.0003501600000000, -0.0000072900000000 ] - [ -0.0001605100000000, -0.0005656500000000, 0.0001509400000000 ] - [ 0.0001591800000000, -0.0003433500000000, 0.0000000700000000 ] - [ -0.0001595200000000, -0.0001237400000000, -0.0001501400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003327500000000, 0.0018101100000000 ] - [ 0.0001873100000000, -0.0000166600000000, 0.0008046200000000 ] - [ -0.0001873100000000, -0.0000166600000000, 0.0008046200000000 ] - [ 0.0000000000000000, 0.0038983700000000, 0.0039754200000000 ] - [ -0.0002031500000000, 0.0000708400000000, 0.0007537100000000 ] - [ 0.0002031500000000, 0.0000708400000000, 0.0007537100000000 ] - [ 0.0000000000000000, -0.0002267700000000, 0.0007518900000000 ] - [ -0.0000054800000000, -0.0001209500000000, 0.0007666400000000 ] - [ 0.0000054800000000, -0.0001209500000000, 0.0007666400000000 ] - [ 0.0000000000000000, 0.0000421100000000, 0.0005803900000000 ] - [ 0.0000626500000000, 0.0000307200000000, 0.0006882800000000 ] - [ -0.0000626500000000, 0.0000307200000000, 0.0006882800000000 ] - [ 0.0000000000000000, 0.0000603200000000, 0.0009954600000000 ] - [ -0.0000738900000000, 0.0000387900000000, 0.0008348300000000 ] - [ 0.0000738900000000, 0.0000387900000000, 0.0008348300000000 ] - [ 0.0000000000000000, -0.0000892100000000, 0.0007710600000000 ] - [ -0.0000033200000000, -0.0000718000000000, 0.0007695100000000 ] - [ 0.0000033200000000, -0.0000718000000000, 0.0007695100000000 ] - [ 0.0000000000000000, -0.0003327500000000, -0.0018101100000000 ] - [ 0.0001873100000000, -0.0000166600000000, -0.0008046200000000 ] - [ -0.0001873100000000, -0.0000166600000000, -0.0008046200000000 ] - [ 0.0000000000000000, 0.0038983700000000, -0.0039754200000000 ] - [ -0.0002031500000000, 0.0000708400000000, -0.0007537100000000 ] - [ 0.0002031500000000, 0.0000708400000000, -0.0007537100000000 ] - [ 0.0000000000000000, -0.0002267700000000, -0.0007518900000000 ] - [ -0.0000054800000000, -0.0001209500000000, -0.0007666400000000 ] - [ 0.0000054800000000, -0.0001209500000000, -0.0007666400000000 ] - [ 0.0000000000000000, 0.0000421100000000, -0.0005803900000000 ] - [ 0.0000626500000000, 0.0000307200000000, -0.0006882800000000 ] - [ -0.0000626500000000, 0.0000307200000000, -0.0006882800000000 ] - [ 0.0000000000000000, 0.0000603200000000, -0.0009954600000000 ] - [ -0.0000738900000000, 0.0000387900000000, -0.0008348300000000 ] - [ 0.0000738900000000, 0.0000387900000000, -0.0008348300000000 ] - [ 0.0000000000000000, -0.0000892100000000, -0.0007710600000000 ] - [ -0.0000033200000000, -0.0000718000000000, -0.0007695100000000 ] - [ 0.0000033200000000, -0.0000718000000000, -0.0007695100000000 ] - [ -0.0002874800000000, 0.0017031600000000, 0.0009758800000000 ] - [ 0.0000000000000000, 0.0001300600000000, 0.0007304800000000 ] - [ 0.0002874800000000, 0.0017031600000000, 0.0009758800000000 ] - [ -0.0001777300000000, -0.0002215700000000, 0.0008714900000000 ] - [ 0.0000000000000000, -0.0000487400000000, 0.0008148400000000 ] - [ 0.0001777300000000, -0.0002215700000000, 0.0008714900000000 ] - [ 0.0001257300000000, -0.0001974600000000, 0.0006889900000000 ] - [ 0.0000000000000000, -0.0000654300000000, 0.0007266100000000 ] - [ -0.0001257300000000, -0.0001974600000000, 0.0006889900000000 ] - [ -0.0000019300000000, 0.0001839300000000, 0.0007738300000000 ] - [ 0.0000000000000000, 0.0000994600000000, 0.0007734800000000 ] - [ 0.0000019300000000, 0.0001839300000000, 0.0007738300000000 ] - [ -0.0000144600000000, -0.0000875400000000, 0.0007307200000000 ] - [ 0.0000000000000000, -0.0000451500000000, 0.0007712300000000 ] - [ 0.0000144600000000, -0.0000875400000000, 0.0007307200000000 ] - [ 0.0000110700000000, -0.0000923400000000, 0.0008002800000000 ] - [ 0.0000000000000000, -0.0000542200000000, 0.0007673900000000 ] - [ -0.0000110700000000, -0.0000923400000000, 0.0008002800000000 ] - [ -0.0002874800000000, 0.0017031600000000, -0.0009758800000000 ] - [ 0.0000000000000000, 0.0001300600000000, -0.0007304800000000 ] - [ 0.0002874800000000, 0.0017031600000000, -0.0009758800000000 ] - [ -0.0001777300000000, -0.0002215700000000, -0.0008714900000000 ] - [ 0.0000000000000000, -0.0000487400000000, -0.0008148400000000 ] - [ 0.0001777300000000, -0.0002215700000000, -0.0008714900000000 ] - [ 0.0001257300000000, -0.0001974600000000, -0.0006889900000000 ] - [ 0.0000000000000000, -0.0000654300000000, -0.0007266100000000 ] - [ -0.0001257300000000, -0.0001974600000000, -0.0006889900000000 ] - [ -0.0000019300000000, 0.0001839300000000, -0.0007738300000000 ] - [ 0.0000000000000000, 0.0000994600000000, -0.0007734800000000 ] - [ 0.0000019300000000, 0.0001839300000000, -0.0007738300000000 ] - [ -0.0000144600000000, -0.0000875400000000, -0.0007307200000000 ] - [ 0.0000000000000000, -0.0000451500000000, -0.0007712300000000 ] - [ 0.0000144600000000, -0.0000875400000000, -0.0007307200000000 ] - [ 0.0000110700000000, -0.0000923400000000, -0.0008002800000000 ] - [ 0.0000000000000000, -0.0000542200000000, -0.0007673900000000 ] - [ -0.0000110700000000, -0.0000923400000000, -0.0008002800000000 ] - [ 0.0000000000000000, -0.1381397200000000, 0.0000000000000000 ] - [ 0.0000573900000000, -0.0000679300000000, 0.0000000000000000 ] - [ -0.0000573900000000, -0.0000679300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008534700000000, 0.0000000000000000 ] - [ 0.0000867500000000, 0.0004453700000000, 0.0000000000000000 ] - [ -0.0000867500000000, 0.0004453700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008503700000000, 0.0000000000000000 ] - [ -0.0000755900000000, 0.0004454100000000, 0.0000000000000000 ] - [ 0.0000755900000000, 0.0004454100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002110400000000, 0.0000000000000000 ] - [ 0.0000071200000000, 0.0002428700000000, 0.0000000000000000 ] - [ -0.0000071200000000, 0.0002428700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004117500000000, 0.0000000000000000 ] - [ 0.0000206100000000, 0.0003966200000000, 0.0000000000000000 ] - [ -0.0000206100000000, 0.0003966200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004116900000000, 0.0000000000000000 ] - [ -0.0000186300000000, 0.0003968000000000, 0.0000000000000000 ] - [ 0.0000186300000000, 0.0003968000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1249465900000000, 0.0000000000000000 ] - [ -0.0001544100000000, -0.0005151100000000, 0.0000000000000000 ] - [ 0.0001544100000000, -0.0005151100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000715100000000, 0.0000000000000000 ] - [ 0.0001070900000000, -0.0002569300000000, 0.0000000000000000 ] - [ -0.0001070900000000, -0.0002569300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000290000000000, 0.0000000000000000 ] - [ -0.0000653100000000, -0.0002335200000000, 0.0000000000000000 ] - [ 0.0000653100000000, -0.0002335200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004764700000000, 0.0000000000000000 ] - [ -0.0000003700000000, -0.0004466800000000, 0.0000000000000000 ] - [ 0.0000003700000000, -0.0004466800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002829700000000, 0.0000000000000000 ] - [ 0.0000241600000000, -0.0003007000000000, 0.0000000000000000 ] - [ -0.0000241600000000, -0.0003007000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002767000000000, 0.0000000000000000 ] - [ -0.0000155500000000, -0.0002898200000000, 0.0000000000000000 ] - [ 0.0000155500000000, -0.0002898200000000, 0.0000000000000000 ] - [ -0.0001914900000000, 0.0002755600000000, 0.0002359200000000 ] - [ 0.0000000000000000, 0.0003086600000000, 0.0000364000000000 ] - [ 0.0001914900000000, 0.0002755600000000, 0.0002359200000000 ] - [ 0.0003073800000000, 0.0002717000000000, -0.0002743500000000 ] - [ 0.0000000000000000, 0.0003078700000000, -0.0000164100000000 ] - [ -0.0003073800000000, 0.0002717000000000, -0.0002743500000000 ] - [ 0.0000038300000000, 0.0004716900000000, 0.0000084600000000 ] - [ 0.0000000000000000, 0.0004229400000000, 0.0000046600000000 ] - [ -0.0000038300000000, 0.0004716900000000, 0.0000084600000000 ] - [ -0.0001914900000000, 0.0002755600000000, -0.0002359200000000 ] - [ 0.0000000000000000, 0.0003086600000000, -0.0000364000000000 ] - [ 0.0001914900000000, 0.0002755600000000, -0.0002359200000000 ] - [ 0.0003073800000000, 0.0002717000000000, 0.0002743500000000 ] - [ 0.0000000000000000, 0.0003078700000000, 0.0000164100000000 ] - [ -0.0003073800000000, 0.0002717000000000, 0.0002743500000000 ] - [ 0.0000038300000000, 0.0004716900000000, -0.0000084600000000 ] - [ 0.0000000000000000, 0.0004229400000000, -0.0000046600000000 ] - [ -0.0000038300000000, 0.0004716900000000, -0.0000084600000000 ] - [ 0.0002519900000000, -0.0004328300000000, -0.0003091600000000 ] - [ 0.0000000000000000, -0.0004063700000000, -0.0000041400000000 ] - [ -0.0002519900000000, -0.0004328300000000, -0.0003091600000000 ] - [ 0.0000065400000000, -0.0002196300000000, -0.0000215300000000 ] - [ 0.0000000000000000, -0.0002697100000000, -0.0000067600000000 ] - [ -0.0000065400000000, -0.0002196300000000, -0.0000215300000000 ] - [ -0.0002202100000000, -0.0003315500000000, 0.0002259700000000 ] - [ 0.0000000000000000, -0.0003607300000000, 0.0000338800000000 ] - [ 0.0002202100000000, -0.0003315500000000, 0.0002259700000000 ] - [ 0.0002519900000000, -0.0004328300000000, 0.0003091600000000 ] - [ 0.0000000000000000, -0.0004063700000000, 0.0000041400000000 ] - [ -0.0002519900000000, -0.0004328300000000, 0.0003091600000000 ] - [ 0.0000065400000000, -0.0002196300000000, 0.0000215300000000 ] - [ 0.0000000000000000, -0.0002697100000000, 0.0000067600000000 ] - [ -0.0000065400000000, -0.0002196300000000, 0.0000215300000000 ] - [ -0.0002202100000000, -0.0003315500000000, -0.0002259700000000 ] - [ 0.0000000000000000, -0.0003607300000000, -0.0000338800000000 ] - [ 0.0002202100000000, -0.0003315500000000, -0.0002259700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0003219000000000, -0.0002858600000000 ] - [ -0.0001889700000000, 0.0000149200000000, 0.0007288400000000 ] - [ 0.0001889700000000, 0.0000149200000000, 0.0007288400000000 ] - [ 0.0000000000000000, -0.0037956300000000, -0.0023281800000000 ] - [ 0.0002020800000000, -0.0000688100000000, 0.0007799500000000 ] - [ -0.0002020800000000, -0.0000688100000000, 0.0007799500000000 ] - [ 0.0000000000000000, 0.0002269800000000, 0.0007811300000000 ] - [ 0.0000052100000000, 0.0001210200000000, 0.0007673100000000 ] - [ -0.0000052100000000, 0.0001210200000000, 0.0007673100000000 ] - [ 0.0000000000000000, -0.0000427800000000, 0.0009544700000000 ] - [ -0.0000626600000000, -0.0000310500000000, 0.0008456700000000 ] - [ 0.0000626600000000, -0.0000310500000000, 0.0008456700000000 ] - [ 0.0000000000000000, -0.0000595100000000, 0.0005396400000000 ] - [ 0.0000739300000000, -0.0000385100000000, 0.0006988200000000 ] - [ -0.0000739300000000, -0.0000385100000000, 0.0006988200000000 ] - [ 0.0000000000000000, 0.0000891400000000, 0.0007632800000000 ] - [ 0.0000030500000000, 0.0000719600000000, 0.0007648000000000 ] - [ -0.0000030500000000, 0.0000719600000000, 0.0007648000000000 ] - [ 0.0000000000000000, 0.0003219000000000, 0.0002858600000000 ] - [ -0.0001889700000000, 0.0000149200000000, -0.0007288400000000 ] - [ 0.0001889700000000, 0.0000149200000000, -0.0007288400000000 ] - [ 0.0000000000000000, -0.0037956300000000, 0.0023281800000000 ] - [ 0.0002020800000000, -0.0000688100000000, -0.0007799500000000 ] - [ -0.0002020800000000, -0.0000688100000000, -0.0007799500000000 ] - [ 0.0000000000000000, 0.0002269800000000, -0.0007811300000000 ] - [ 0.0000052100000000, 0.0001210200000000, -0.0007673100000000 ] - [ -0.0000052100000000, 0.0001210200000000, -0.0007673100000000 ] - [ 0.0000000000000000, -0.0000427800000000, -0.0009544700000000 ] - [ -0.0000626600000000, -0.0000310500000000, -0.0008456700000000 ] - [ 0.0000626600000000, -0.0000310500000000, -0.0008456700000000 ] - [ 0.0000000000000000, -0.0000595100000000, -0.0005396400000000 ] - [ 0.0000739300000000, -0.0000385100000000, -0.0006988200000000 ] - [ -0.0000739300000000, -0.0000385100000000, -0.0006988200000000 ] - [ 0.0000000000000000, 0.0000891400000000, -0.0007632800000000 ] - [ 0.0000030500000000, 0.0000719600000000, -0.0007648000000000 ] - [ -0.0000030500000000, 0.0000719600000000, -0.0007648000000000 ] - [ 0.0002931800000000, -0.0017041900000000, 0.0005553600000000 ] - [ 0.0000000000000000, -0.0001303600000000, 0.0008021100000000 ] - [ -0.0002931800000000, -0.0017041900000000, 0.0005553600000000 ] - [ 0.0001763100000000, 0.0002206100000000, 0.0006635300000000 ] - [ 0.0000000000000000, 0.0000491500000000, 0.0007197000000000 ] - [ -0.0001763100000000, 0.0002206100000000, 0.0006635300000000 ] - [ -0.0001273700000000, 0.0001985300000000, 0.0008463800000000 ] - [ 0.0000000000000000, 0.0000651700000000, 0.0008078900000000 ] - [ 0.0001273700000000, 0.0001985300000000, 0.0008463800000000 ] - [ 0.0000020500000000, -0.0001841300000000, 0.0007609000000000 ] - [ 0.0000000000000000, -0.0000996200000000, 0.0007608200000000 ] - [ -0.0000020500000000, -0.0001841300000000, 0.0007609000000000 ] - [ 0.0000143200000000, 0.0000877400000000, 0.0008033000000000 ] - [ 0.0000000000000000, 0.0000454200000000, 0.0007630000000000 ] - [ -0.0000143200000000, 0.0000877400000000, 0.0008033000000000 ] - [ -0.0000111700000000, 0.0000921100000000, 0.0007336400000000 ] - [ 0.0000000000000000, 0.0000539400000000, 0.0007666300000000 ] - [ 0.0000111700000000, 0.0000921100000000, 0.0007336400000000 ] - [ 0.0002931800000000, -0.0017041900000000, -0.0005553600000000 ] - [ 0.0000000000000000, -0.0001303600000000, -0.0008021100000000 ] - [ -0.0002931800000000, -0.0017041900000000, -0.0005553600000000 ] - [ 0.0001763100000000, 0.0002206100000000, -0.0006635300000000 ] - [ 0.0000000000000000, 0.0000491500000000, -0.0007197000000000 ] - [ -0.0001763100000000, 0.0002206100000000, -0.0006635300000000 ] - [ -0.0001273700000000, 0.0001985300000000, -0.0008463800000000 ] - [ 0.0000000000000000, 0.0000651700000000, -0.0008078900000000 ] - [ 0.0001273700000000, 0.0001985300000000, -0.0008463800000000 ] - [ 0.0000020500000000, -0.0001841300000000, -0.0007609000000000 ] - [ 0.0000000000000000, -0.0000996200000000, -0.0007608200000000 ] - [ -0.0000020500000000, -0.0001841300000000, -0.0007609000000000 ] - [ 0.0000143200000000, 0.0000877400000000, -0.0008033000000000 ] - [ 0.0000000000000000, 0.0000454200000000, -0.0007630000000000 ] - [ -0.0000143200000000, 0.0000877400000000, -0.0008033000000000 ] - [ -0.0000111700000000, 0.0000921100000000, -0.0007336400000000 ] - [ 0.0000000000000000, 0.0000539400000000, -0.0007666300000000 ] - [ 0.0000111700000000, 0.0000921100000000, -0.0007336400000000 ] - [ 0.0000000000000000, 0.1444084600000000, 0.0000000000000000 ] - [ -0.0000615200000000, 0.0007591700000000, 0.0000000000000000 ] - [ 0.0000615200000000, 0.0007591700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001612100000000, 0.0000000000000000 ] - [ -0.0000861600000000, 0.0002443000000000, 0.0000000000000000 ] - [ 0.0000861600000000, 0.0002443000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001637800000000, 0.0000000000000000 ] - [ 0.0000765200000000, 0.0002436200000000, 0.0000000000000000 ] - [ -0.0000765200000000, 0.0002436200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004796200000000, 0.0000000000000000 ] - [ -0.0000071900000000, 0.0004474700000000, 0.0000000000000000 ] - [ 0.0000071900000000, 0.0004474700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002786800000000, 0.0000000000000000 ] - [ -0.0000206500000000, 0.0002927000000000, 0.0000000000000000 ] - [ 0.0000206500000000, 0.0002927000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002782000000000, 0.0000000000000000 ] - [ 0.0000187400000000, 0.0002923400000000, 0.0000000000000000 ] - [ -0.0000187400000000, 0.0002923400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1313926100000000, 0.0000000000000000 ] - [ 0.0001495800000000, -0.0001749700000000, 0.0000000000000000 ] - [ -0.0001495800000000, -0.0001749700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007636100000000, 0.0000000000000000 ] - [ -0.0001062800000000, -0.0004326100000000, 0.0000000000000000 ] - [ 0.0001062800000000, -0.0004326100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007219500000000, 0.0000000000000000 ] - [ 0.0000660600000000, -0.0004564200000000, 0.0000000000000000 ] - [ -0.0000660600000000, -0.0004564200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002140500000000, 0.0000000000000000 ] - [ 0.0000004000000000, -0.0002435300000000, 0.0000000000000000 ] - [ -0.0000004000000000, -0.0002435300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004079600000000, 0.0000000000000000 ] - [ -0.0000241300000000, -0.0003886500000000, 0.0000000000000000 ] - [ 0.0000241300000000, -0.0003886500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004120900000000, 0.0000000000000000 ] - [ 0.0000156800000000, -0.0003987800000000, 0.0000000000000000 ] - [ -0.0000156800000000, -0.0003987800000000, 0.0000000000000000 ] - [ 0.0001930600000000, 0.0004183100000000, -0.0002350900000000 ] - [ 0.0000000000000000, 0.0003820100000000, -0.0000359600000000 ] - [ -0.0001930600000000, 0.0004183100000000, -0.0002350900000000 ] - [ -0.0003054800000000, 0.0004143300000000, 0.0002734400000000 ] - [ 0.0000000000000000, 0.0003808500000000, 0.0000166800000000 ] - [ 0.0003054800000000, 0.0004143300000000, 0.0002734400000000 ] - [ -0.0000035600000000, 0.0002172500000000, -0.0000090400000000 ] - [ 0.0000000000000000, 0.0002661500000000, -0.0000049100000000 ] - [ 0.0000035600000000, 0.0002172500000000, -0.0000090400000000 ] - [ 0.0001930600000000, 0.0004183100000000, 0.0002350900000000 ] - [ 0.0000000000000000, 0.0003820100000000, 0.0000359600000000 ] - [ -0.0001930600000000, 0.0004183100000000, 0.0002350900000000 ] - [ -0.0003054800000000, 0.0004143300000000, -0.0002734400000000 ] - [ 0.0000000000000000, 0.0003808500000000, -0.0000166800000000 ] - [ 0.0003054800000000, 0.0004143300000000, -0.0002734400000000 ] - [ -0.0000035600000000, 0.0002172500000000, 0.0000090400000000 ] - [ 0.0000000000000000, 0.0002661500000000, 0.0000049100000000 ] - [ 0.0000035600000000, 0.0002172500000000, 0.0000090400000000 ] - [ -0.0002509200000000, -0.0002601900000000, 0.0003099800000000 ] - [ 0.0000000000000000, -0.0002833700000000, 0.0000046900000000 ] - [ 0.0002509200000000, -0.0002601900000000, 0.0003099800000000 ] - [ -0.0000063500000000, -0.0004691400000000, 0.0000210800000000 ] - [ 0.0000000000000000, -0.0004196600000000, 0.0000065600000000 ] - [ 0.0000063500000000, -0.0004691400000000, 0.0000210800000000 ] - [ 0.0002215100000000, -0.0003557200000000, -0.0002269100000000 ] - [ 0.0000000000000000, -0.0003283600000000, -0.0000338600000000 ] - [ -0.0002215100000000, -0.0003557200000000, -0.0002269100000000 ] - [ -0.0002509200000000, -0.0002601900000000, -0.0003099800000000 ] - [ 0.0000000000000000, -0.0002833700000000, -0.0000046900000000 ] - [ 0.0002509200000000, -0.0002601900000000, -0.0003099800000000 ] - [ -0.0000063500000000, -0.0004691400000000, -0.0000210800000000 ] - [ 0.0000000000000000, -0.0004196600000000, -0.0000065600000000 ] - [ 0.0000063500000000, -0.0004691400000000, -0.0000210800000000 ] - [ 0.0002215100000000, -0.0003557200000000, 0.0002269100000000 ] - [ 0.0000000000000000, -0.0003283600000000, 0.0000338600000000 ] - [ -0.0002215100000000, -0.0003557200000000, 0.0002269100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000968200000000, 0.0011531000000000 ] - [ -0.0001725400000000, 0.0001184300000000, 0.0008849000000000 ] - [ 0.0001725400000000, 0.0001184300000000, 0.0008849000000000 ] - [ 0.0000000000000000, 0.0018798700000000, 0.0035467500000000 ] - [ -0.0002517800000000, -0.0001002800000000, 0.0009312700000000 ] - [ 0.0002517800000000, -0.0001002800000000, 0.0009312700000000 ] - [ 0.0000000000000000, -0.0000084100000000, 0.0008067800000000 ] - [ -0.0000148200000000, -0.0000049400000000, 0.0007998200000000 ] - [ 0.0000148200000000, -0.0000049400000000, 0.0007998200000000 ] - [ 0.0000000000000000, -0.0000411700000000, 0.0005354500000000 ] - [ 0.0000904500000000, -0.0000231600000000, 0.0006445200000000 ] - [ -0.0000904500000000, -0.0000231600000000, 0.0006445200000000 ] - [ 0.0000000000000000, 0.0000890300000000, 0.0003843100000000 ] - [ 0.0001497800000000, 0.0000268800000000, 0.0005848900000000 ] - [ -0.0001497800000000, 0.0000268800000000, 0.0005848900000000 ] - [ 0.0000000000000000, 0.0000068500000000, 0.0007245600000000 ] - [ 0.0000148800000000, 0.0000045600000000, 0.0007335500000000 ] - [ -0.0000148800000000, 0.0000045600000000, 0.0007335500000000 ] - [ 0.0000000000000000, 0.0000973700000000, -0.0003829100000000 ] - [ 0.0001728700000000, -0.0001178000000000, -0.0006487800000000 ] - [ -0.0001728700000000, -0.0001178000000000, -0.0006487800000000 ] - [ 0.0000000000000000, -0.0018063100000000, 0.0019813500000000 ] - [ 0.0002517300000000, 0.0001003300000000, -0.0006024300000000 ] - [ -0.0002517300000000, 0.0001003300000000, -0.0006024300000000 ] - [ 0.0000000000000000, 0.0000073000000000, -0.0007261000000000 ] - [ 0.0000146900000000, 0.0000045100000000, -0.0007338400000000 ] - [ -0.0000146900000000, 0.0000045100000000, -0.0007338400000000 ] - [ 0.0000000000000000, 0.0000417100000000, -0.0009976000000000 ] - [ -0.0000903700000000, 0.0000233400000000, -0.0008890300000000 ] - [ 0.0000903700000000, 0.0000233400000000, -0.0008890300000000 ] - [ 0.0000000000000000, -0.0000898600000000, -0.0011490700000000 ] - [ -0.0001499500000000, -0.0000270800000000, -0.0009486300000000 ] - [ 0.0001499500000000, -0.0000270800000000, -0.0009486300000000 ] - [ 0.0000000000000000, -0.0000073000000000, -0.0008088000000000 ] - [ -0.0000149700000000, -0.0000048100000000, -0.0008000300000000 ] - [ 0.0000149700000000, -0.0000048100000000, -0.0008000300000000 ] - [ -0.0021978900000000, 0.0011257700000000, 0.0036821700000000 ] - [ 0.0000000000000000, -0.0000102300000000, 0.0008617800000000 ] - [ 0.0021978900000000, 0.0011257700000000, 0.0036821700000000 ] - [ 0.0000530800000000, 0.0001670200000000, 0.0009280600000000 ] - [ 0.0000000000000000, 0.0000435900000000, 0.0008315600000000 ] - [ -0.0000530800000000, 0.0001670200000000, 0.0009280600000000 ] - [ 0.0000240700000000, -0.0000903900000000, 0.0008718700000000 ] - [ 0.0000000000000000, -0.0000264500000000, 0.0008154800000000 ] - [ -0.0000240700000000, -0.0000903900000000, 0.0008718700000000 ] - [ -0.0000384200000000, 0.0000646300000000, 0.0004482200000000 ] - [ 0.0000000000000000, 0.0000188700000000, 0.0006674200000000 ] - [ 0.0000384200000000, 0.0000646300000000, 0.0004482200000000 ] - [ -0.0000092600000000, -0.0001032800000000, 0.0006160800000000 ] - [ 0.0000000000000000, -0.0000452200000000, 0.0007015300000000 ] - [ 0.0000092600000000, -0.0001032800000000, 0.0006160800000000 ] - [ -0.0000061600000000, 0.0000618100000000, 0.0006617700000000 ] - [ 0.0000000000000000, 0.0000262100000000, 0.0007175400000000 ] - [ 0.0000061600000000, 0.0000618100000000, 0.0006617700000000 ] - [ 0.0023016100000000, -0.0011689300000000, 0.0022087700000000 ] - [ 0.0000000000000000, 0.0000098300000000, -0.0006708100000000 ] - [ -0.0023016100000000, -0.0011689300000000, 0.0022087700000000 ] - [ -0.0000541000000000, -0.0001674300000000, -0.0006064500000000 ] - [ 0.0000000000000000, -0.0000437700000000, -0.0007022900000000 ] - [ 0.0000541000000000, -0.0001674300000000, -0.0006064500000000 ] - [ -0.0000236700000000, 0.0000896800000000, -0.0006615700000000 ] - [ 0.0000000000000000, 0.0000263500000000, -0.0007179500000000 ] - [ 0.0000236700000000, 0.0000896800000000, -0.0006615700000000 ] - [ 0.0000377900000000, -0.0000644200000000, -0.0010847200000000 ] - [ 0.0000000000000000, -0.0000188300000000, -0.0008660100000000 ] - [ -0.0000377900000000, -0.0000644200000000, -0.0010847200000000 ] - [ 0.0000089800000000, 0.0001031100000000, -0.0009175700000000 ] - [ 0.0000000000000000, 0.0000451000000000, -0.0008321500000000 ] - [ -0.0000089800000000, 0.0001031100000000, -0.0009175700000000 ] - [ 0.0000060800000000, -0.0000621900000000, -0.0008718500000000 ] - [ 0.0000000000000000, -0.0000265000000000, -0.0008159400000000 ] - [ -0.0000060800000000, -0.0000621900000000, -0.0008718500000000 ] - [ 0.0000000000000000, 0.0000383000000000, -0.0176445200000000 ] - [ -0.0000021400000000, 0.0003419300000000, -0.0005419200000000 ] - [ 0.0000021400000000, 0.0003419300000000, -0.0005419200000000 ] - [ 0.0000000000000000, 0.0003468600000000, -0.0001389600000000 ] - [ 0.0000002100000000, 0.0003430500000000, -0.0000969600000000 ] - [ -0.0000002100000000, 0.0003430500000000, -0.0000969600000000 ] - [ 0.0000000000000000, 0.0003453700000000, -0.0001390600000000 ] - [ -0.0000000700000000, 0.0003428000000000, -0.0000970300000000 ] - [ 0.0000000700000000, 0.0003428000000000, -0.0000970300000000 ] - [ 0.0000000000000000, 0.0003439400000000, 0.0003161400000000 ] - [ 0.0000001200000000, 0.0003429400000000, 0.0002020600000000 ] - [ -0.0000001200000000, 0.0003429400000000, 0.0002020600000000 ] - [ 0.0000000000000000, 0.0003450100000000, 0.0001326900000000 ] - [ 0.0000000100000000, 0.0003431000000000, 0.0000937300000000 ] - [ -0.0000000100000000, 0.0003431000000000, 0.0000937300000000 ] - [ 0.0000000000000000, 0.0003436000000000, 0.0001328000000000 ] - [ -0.0000000200000000, 0.0003428800000000, 0.0000937300000000 ] - [ 0.0000000200000000, 0.0003428800000000, 0.0000937300000000 ] - [ 0.0000000000000000, -0.0000213900000000, -0.0009028400000000 ] - [ 0.0000003700000000, -0.0003424800000000, -0.0006735500000000 ] - [ -0.0000003700000000, -0.0003424800000000, -0.0006735500000000 ] - [ 0.0000000000000000, -0.0003473800000000, -0.0006613400000000 ] - [ 0.0000002700000000, -0.0003427700000000, -0.0001396800000000 ] - [ -0.0000002700000000, -0.0003427700000000, -0.0001396800000000 ] - [ 0.0000000000000000, -0.0003436400000000, -0.0001770000000000 ] - [ -0.0000001000000000, -0.0003429100000000, -0.0000692300000000 ] - [ 0.0000001000000000, -0.0003429100000000, -0.0000692300000000 ] - [ 0.0000000000000000, -0.0003440200000000, 0.0002720900000000 ] - [ 0.0000001400000000, -0.0003430700000000, 0.0001745500000000 ] - [ -0.0000001400000000, -0.0003430700000000, 0.0001745500000000 ] - [ 0.0000000000000000, -0.0003449800000000, 0.0001947100000000 ] - [ 0.0000000000000000, -0.0003430400000000, 0.0001352700000000 ] - [ 0.0000000000000000, -0.0003430400000000, 0.0001352700000000 ] - [ 0.0000000000000000, -0.0003432700000000, 0.0000945900000000 ] - [ 0.0000000400000000, -0.0003426900000000, 0.0000679700000000 ] - [ -0.0000000400000000, -0.0003426900000000, 0.0000679700000000 ] - [ -0.0001247000000000, 0.0006162700000000, 0.0002232200000000 ] - [ 0.0000000000000000, 0.0003587700000000, 0.0000014900000000 ] - [ 0.0001247000000000, 0.0006162700000000, 0.0002232200000000 ] - [ -0.0002470700000000, 0.0001076400000000, 0.0002231400000000 ] - [ 0.0000000000000000, 0.0003065800000000, 0.0000015200000000 ] - [ 0.0002470700000000, 0.0001076400000000, 0.0002231400000000 ] - [ -0.0000061400000000, 0.0003344800000000, -0.0000000600000000 ] - [ 0.0000000000000000, 0.0003375200000000, -0.0000002200000000 ] - [ 0.0000061400000000, 0.0003344800000000, -0.0000000600000000 ] - [ 0.0001234200000000, 0.0000690800000000, 0.0002218300000000 ] - [ 0.0000000000000000, 0.0003262400000000, 0.0000015000000000 ] - [ -0.0001234200000000, 0.0000690800000000, 0.0002218300000000 ] - [ 0.0002447300000000, 0.0005795500000000, 0.0002219800000000 ] - [ 0.0000000000000000, 0.0003786100000000, 0.0000014800000000 ] - [ -0.0002447300000000, 0.0005795500000000, 0.0002219800000000 ] - [ 0.0000062900000000, 0.0003517600000000, 0.0000001200000000 ] - [ 0.0000000000000000, 0.0003482000000000, -0.0000000900000000 ] - [ -0.0000062900000000, 0.0003517600000000, 0.0000001200000000 ] - [ -0.0004413100000000, -0.0006520700000000, 0.0005495300000000 ] - [ 0.0000000000000000, -0.0003469500000000, 0.0000008600000000 ] - [ 0.0004413100000000, -0.0006520700000000, 0.0005495300000000 ] - [ -0.0000070400000000, -0.0003642500000000, 0.0000008300000000 ] - [ 0.0000000000000000, -0.0003489900000000, -0.0000005600000000 ] - [ 0.0000070400000000, -0.0003642500000000, 0.0000008300000000 ] - [ -0.0001510200000000, -0.0001171100000000, 0.0001777900000000 ] - [ 0.0000000000000000, -0.0003087700000000, 0.0000044200000000 ] - [ 0.0001510200000000, -0.0001171100000000, 0.0001777900000000 ] - [ 0.0004407200000000, -0.0000332500000000, 0.0005475900000000 ] - [ 0.0000000000000000, -0.0003380000000000, 0.0000008300000000 ] - [ -0.0004407200000000, -0.0000332500000000, 0.0005475900000000 ] - [ 0.0000071700000000, -0.0003213500000000, 0.0000010000000000 ] - [ 0.0000000000000000, -0.0003364900000000, -0.0000004800000000 ] - [ -0.0000071700000000, -0.0003213500000000, 0.0000010000000000 ] - [ 0.0001500500000000, -0.0005707000000000, 0.0001769000000000 ] - [ 0.0000000000000000, -0.0003765800000000, 0.0000043900000000 ] - [ -0.0001500500000000, -0.0005707000000000, 0.0001769000000000 ]