# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e97b06b5-53c9-4068-87ce-6501cb07afa8/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 TlI / Cmcm (63) / materials id 22858](https://mdr.nims.go.jp/datasets/dfed692b-d0bb-4a54-b5c5-0ecda6504057) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 2.285584920000000, -6.321400720000000, 0.000000000000000 ] # a - [ 2.285584920000000, 6.321400720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.047054229999999 ] # c points: - symbol: I # 1 coordinates: [ 0.637234980000000, 0.362765020000000, 0.250000000000000 ] mass: 126.904470 - symbol: I # 2 coordinates: [ 0.362765020000000, 0.637234980000000, 0.750000000000000 ] mass: 126.904470 - symbol: Tl # 3 coordinates: [ 0.896727390000000, 0.103272610000000, 0.250000000000000 ] mass: 204.383300 - symbol: Tl # 4 coordinates: [ 0.103272610000000, 0.896727390000000, 0.750000000000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.218762381403882, -0.079096393686620, 0.000000000000000 ] # a* - [ 0.218762381403882, 0.079096393686620, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.198135378466104 ] # c*unit_cell: lattice: - [ 4.571169840000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.642801440000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.047054230000000 ] # c points: - symbol: I # 1 coordinates: [ 0.000000000000000, 0.362765020000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 2 coordinates: [ 0.500000000000000, 0.137234980000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 2 - symbol: I # 3 coordinates: [ 0.500000000000000, 0.862765020000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 4 coordinates: [ 0.000000000000000, 0.637234980000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 2 - symbol: Tl # 5 coordinates: [ 0.000000000000000, 0.103272610000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.500000000000000, 0.396727390000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 7 coordinates: [ 0.500000000000000, 0.603272610000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 8 coordinates: [ 0.000000000000000, 0.896727390000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 6supercell: lattice: - [ 13.713509519999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 25.285602879999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.141162689999998 ] # c points: - symbol: I # 1 coordinates: [ 0.000000000000000, 0.181382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 2 coordinates: [ 0.333333333333333, 0.181382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 3 coordinates: [ 0.666666666666667, 0.181382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 4 coordinates: [ 0.000000000000000, 0.681382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 5 coordinates: [ 0.333333333333333, 0.681382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 6 coordinates: [ 0.666666666666667, 0.681382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 7 coordinates: [ 0.000000000000000, 0.181382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 8 coordinates: [ 0.333333333333333, 0.181382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 9 coordinates: [ 0.666666666666667, 0.181382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.681382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 11 coordinates: [ 0.333333333333333, 0.681382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 12 coordinates: [ 0.666666666666667, 0.681382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 13 coordinates: [ 0.000000000000000, 0.181382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 14 coordinates: [ 0.333333333333333, 0.181382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 15 coordinates: [ 0.666666666666667, 0.181382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.681382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 17 coordinates: [ 0.333333333333333, 0.681382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 18 coordinates: [ 0.666666666666667, 0.681382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 19 coordinates: [ 0.166666666666667, 0.068617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.500000000000000, 0.068617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 21 coordinates: [ 0.833333333333333, 0.068617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 22 coordinates: [ 0.166666666666667, 0.568617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 23 coordinates: [ 0.500000000000000, 0.568617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 24 coordinates: [ 0.833333333333333, 0.568617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 25 coordinates: [ 0.166666666666667, 0.068617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 26 coordinates: [ 0.500000000000000, 0.068617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 27 coordinates: [ 0.833333333333333, 0.068617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 28 coordinates: [ 0.166666666666667, 0.568617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 29 coordinates: [ 0.500000000000000, 0.568617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 30 coordinates: [ 0.833333333333333, 0.568617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 31 coordinates: [ 0.166666666666667, 0.068617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 32 coordinates: [ 0.500000000000000, 0.068617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 33 coordinates: [ 0.833333333333333, 0.068617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 34 coordinates: [ 0.166666666666667, 0.568617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 35 coordinates: [ 0.500000000000000, 0.568617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 36 coordinates: [ 0.833333333333333, 0.568617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 37 coordinates: [ 0.166666666666667, 0.431382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 38 coordinates: [ 0.500000000000000, 0.431382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 39 coordinates: [ 0.833333333333333, 0.431382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 40 coordinates: [ 0.166666666666667, 0.931382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 41 coordinates: [ 0.500000000000000, 0.931382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 42 coordinates: [ 0.833333333333333, 0.931382510000000, 0.083333333333333 ] mass: 126.904470 reduced_to: 1 - symbol: I # 43 coordinates: [ 0.166666666666667, 0.431382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 44 coordinates: [ 0.500000000000000, 0.431382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 45 coordinates: [ 0.833333333333333, 0.431382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 46 coordinates: [ 0.166666666666667, 0.931382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 47 coordinates: [ 0.500000000000000, 0.931382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 48 coordinates: [ 0.833333333333333, 0.931382510000000, 0.416666666666667 ] mass: 126.904470 reduced_to: 1 - symbol: I # 49 coordinates: [ 0.166666666666667, 0.431382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 50 coordinates: [ 0.500000000000000, 0.431382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 51 coordinates: [ 0.833333333333333, 0.431382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 52 coordinates: [ 0.166666666666667, 0.931382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 53 coordinates: [ 0.500000000000000, 0.931382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 54 coordinates: [ 0.833333333333333, 0.931382510000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 1 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.318617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 56 coordinates: [ 0.333333333333333, 0.318617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 57 coordinates: [ 0.666666666666667, 0.318617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 58 coordinates: [ 0.000000000000000, 0.818617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 59 coordinates: [ 0.333333333333333, 0.818617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 60 coordinates: [ 0.666666666666667, 0.818617490000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.318617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 62 coordinates: [ 0.333333333333333, 0.318617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 63 coordinates: [ 0.666666666666667, 0.318617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 64 coordinates: [ 0.000000000000000, 0.818617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 65 coordinates: [ 0.333333333333333, 0.818617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 66 coordinates: [ 0.666666666666667, 0.818617490000000, 0.583333333333333 ] mass: 126.904470 reduced_to: 19 - symbol: I # 67 coordinates: [ 0.000000000000000, 0.318617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 68 coordinates: [ 0.333333333333333, 0.318617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 69 coordinates: [ 0.666666666666667, 0.318617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 70 coordinates: [ 0.000000000000000, 0.818617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 71 coordinates: [ 0.333333333333333, 0.818617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: I # 72 coordinates: [ 0.666666666666667, 0.818617490000000, 0.916666666666667 ] mass: 126.904470 reduced_to: 19 - symbol: Tl # 73 coordinates: [ 0.000000000000000, 0.051636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 74 coordinates: [ 0.333333333333333, 0.051636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 75 coordinates: [ 0.666666666666667, 0.051636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 76 coordinates: [ 0.000000000000000, 0.551636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 77 coordinates: [ 0.333333333333333, 0.551636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 78 coordinates: [ 0.666666666666667, 0.551636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 79 coordinates: [ 0.000000000000000, 0.051636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 80 coordinates: [ 0.333333333333333, 0.051636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 81 coordinates: [ 0.666666666666667, 0.051636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 82 coordinates: [ 0.000000000000000, 0.551636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 83 coordinates: [ 0.333333333333333, 0.551636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 84 coordinates: [ 0.666666666666667, 0.551636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 85 coordinates: [ 0.000000000000000, 0.051636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 86 coordinates: [ 0.333333333333333, 0.051636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 87 coordinates: [ 0.666666666666667, 0.051636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 88 coordinates: [ 0.000000000000000, 0.551636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 89 coordinates: [ 0.333333333333333, 0.551636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 90 coordinates: [ 0.666666666666667, 0.551636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 91 coordinates: [ 0.166666666666667, 0.198363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 92 coordinates: [ 0.500000000000000, 0.198363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 93 coordinates: [ 0.833333333333333, 0.198363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 94 coordinates: [ 0.166666666666667, 0.698363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 95 coordinates: [ 0.500000000000000, 0.698363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 96 coordinates: [ 0.833333333333333, 0.698363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 97 coordinates: [ 0.166666666666667, 0.198363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 98 coordinates: [ 0.500000000000000, 0.198363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 99 coordinates: [ 0.833333333333333, 0.198363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 100 coordinates: [ 0.166666666666667, 0.698363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 101 coordinates: [ 0.500000000000000, 0.698363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 102 coordinates: [ 0.833333333333333, 0.698363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 103 coordinates: [ 0.166666666666667, 0.198363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 104 coordinates: [ 0.500000000000000, 0.198363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 105 coordinates: [ 0.833333333333333, 0.198363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 106 coordinates: [ 0.166666666666667, 0.698363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 107 coordinates: [ 0.500000000000000, 0.698363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 108 coordinates: [ 0.833333333333333, 0.698363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 109 coordinates: [ 0.166666666666667, 0.301636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 110 coordinates: [ 0.500000000000000, 0.301636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 111 coordinates: [ 0.833333333333333, 0.301636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 112 coordinates: [ 0.166666666666667, 0.801636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 113 coordinates: [ 0.500000000000000, 0.801636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 114 coordinates: [ 0.833333333333333, 0.801636305000000, 0.083333333333333 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 115 coordinates: [ 0.166666666666667, 0.301636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 116 coordinates: [ 0.500000000000000, 0.301636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 117 coordinates: [ 0.833333333333333, 0.301636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 118 coordinates: [ 0.166666666666667, 0.801636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 119 coordinates: [ 0.500000000000000, 0.801636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 120 coordinates: [ 0.833333333333333, 0.801636305000000, 0.416666666666667 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 121 coordinates: [ 0.166666666666667, 0.301636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 122 coordinates: [ 0.500000000000000, 0.301636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 123 coordinates: [ 0.833333333333333, 0.301636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 124 coordinates: [ 0.166666666666667, 0.801636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 125 coordinates: [ 0.500000000000000, 0.801636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 126 coordinates: [ 0.833333333333333, 0.801636305000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 73 - symbol: Tl # 127 coordinates: [ 0.000000000000000, 0.448363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 128 coordinates: [ 0.333333333333333, 0.448363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 129 coordinates: [ 0.666666666666667, 0.448363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 130 coordinates: [ 0.000000000000000, 0.948363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 131 coordinates: [ 0.333333333333333, 0.948363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 132 coordinates: [ 0.666666666666667, 0.948363695000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 133 coordinates: [ 0.000000000000000, 0.448363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 134 coordinates: [ 0.333333333333333, 0.448363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 135 coordinates: [ 0.666666666666667, 0.448363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 136 coordinates: [ 0.000000000000000, 0.948363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 137 coordinates: [ 0.333333333333333, 0.948363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 138 coordinates: [ 0.666666666666667, 0.948363695000000, 0.583333333333333 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 139 coordinates: [ 0.000000000000000, 0.448363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 140 coordinates: [ 0.333333333333333, 0.448363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 141 coordinates: [ 0.666666666666667, 0.448363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 142 coordinates: [ 0.000000000000000, 0.948363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 143 coordinates: [ 0.333333333333333, 0.948363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91 - symbol: Tl # 144 coordinates: [ 0.666666666666667, 0.948363695000000, 0.916666666666667 ] mass: 204.383300 reduced_to: 91displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0176293300000000, 0.0387711600000000, 0.0000000000000000 ] - [ 0.0010038100000000, 0.0388791400000000, 0.0000000000000000 ] - [ 0.0009494100000000, 0.0387835500000000, 0.0000000000000000 ] - [ 0.0000156900000000, 0.0388355700000000, 0.0000000000000000 ] - [ 0.0000193100000000, 0.0388600900000000, 0.0000000000000000 ] - [ -0.0000084400000000, 0.0388024100000000, 0.0000000000000000 ] - [ -0.0005818400000000, 0.0388331700000000, 0.0000010100000000 ] - [ 0.0013773500000000, 0.0385971100000000, 0.0012734800000000 ] - [ 0.0013424400000000, 0.0390608700000000, -0.0012696500000000 ] - [ -0.0000089500000000, 0.0388351200000000, -0.0000001100000000 ] - [ 0.0000232700000000, 0.0388372100000000, -0.0000006500000000 ] - [ -0.0000046100000000, 0.0388249900000000, 0.0000004500000000 ] - [ -0.0005818400000000, 0.0388331700000000, -0.0000010100000000 ] - [ 0.0013773500000000, 0.0385971100000000, -0.0012734800000000 ] - [ 0.0013424400000000, 0.0390608700000000, 0.0012696500000000 ] - [ -0.0000089500000000, 0.0388351200000000, 0.0000001100000000 ] - [ 0.0000232700000000, 0.0388372100000000, 0.0000006500000000 ] - [ -0.0000046100000000, 0.0388249900000000, -0.0000004500000000 ] - [ 0.0003419500000000, -0.0396408000000000, 0.0005072100000000 ] - [ 0.0002071500000000, -0.0388356100000000, -0.0000003800000000 ] - [ 0.0003695100000000, -0.0380264900000000, -0.0005034300000000 ] - [ -0.0000442100000000, -0.0387867800000000, 0.0000130700000000 ] - [ 0.0000642600000000, -0.0388342500000000, 0.0000000000000000 ] - [ -0.0000159300000000, -0.0388738200000000, -0.0000131300000000 ] - [ -0.0001268800000000, -0.0388554500000000, 0.0000000000000000 ] - [ 0.0005521800000000, -0.0388352500000000, 0.0000000000000000 ] - [ -0.0000987400000000, -0.0388077000000000, 0.0000000000000000 ] - [ -0.0000241700000000, -0.0388253000000000, 0.0000000000000000 ] - [ 0.0000206700000000, -0.0388343000000000, 0.0000000000000000 ] - [ 0.0000039000000000, -0.0388354700000000, 0.0000000000000000 ] - [ 0.0003419500000000, -0.0396408000000000, -0.0005072100000000 ] - [ 0.0002071500000000, -0.0388356100000000, 0.0000003800000000 ] - [ 0.0003695100000000, -0.0380264900000000, 0.0005034300000000 ] - [ -0.0000442100000000, -0.0387867800000000, -0.0000130700000000 ] - [ 0.0000642600000000, -0.0388342500000000, 0.0000000000000000 ] - [ -0.0000159300000000, -0.0388738200000000, 0.0000131300000000 ] - [ -0.0001404700000000, 0.0397079600000000, 0.0000000000000000 ] - [ 0.0001195300000000, 0.0388353500000000, 0.0000000000000000 ] - [ -0.0001122500000000, 0.0379585600000000, 0.0000000000000000 ] - [ -0.0001430000000000, 0.0389459900000000, 0.0000000000000000 ] - [ 0.0001196000000000, 0.0388346400000000, 0.0000000000000000 ] - [ -0.0001097000000000, 0.0387214900000000, 0.0000000000000000 ] - [ -0.0000340600000000, 0.0389573400000000, -0.0000072200000000 ] - [ 0.0000693100000000, 0.0388352700000000, -0.0000000700000000 ] - [ -0.0000057300000000, 0.0387054800000000, 0.0000068800000000 ] - [ -0.0000344200000000, 0.0387619500000000, 0.0000516500000000 ] - [ 0.0000693200000000, 0.0388345500000000, -0.0000002100000000 ] - [ -0.0000054000000000, 0.0388995000000000, -0.0000529700000000 ] - [ -0.0000340600000000, 0.0389573400000000, 0.0000072200000000 ] - [ 0.0000693100000000, 0.0388352700000000, 0.0000000700000000 ] - [ -0.0000057300000000, 0.0387054800000000, -0.0000068800000000 ] - [ -0.0000344200000000, 0.0387619500000000, -0.0000516500000000 ] - [ 0.0000693200000000, 0.0388345500000000, 0.0000002100000000 ] - [ -0.0000054000000000, 0.0388995000000000, 0.0000529700000000 ] - [ -0.0002616200000000, -0.0388381000000000, -0.0000034700000000 ] - [ 0.0005940900000000, -0.0384947000000000, 0.0002090700000000 ] - [ 0.0005666400000000, -0.0391671700000000, -0.0002099700000000 ] - [ -0.0000323200000000, -0.0388336100000000, -0.0000000900000000 ] - [ 0.0000142200000000, -0.0388774900000000, -0.0000019000000000 ] - [ -0.0000133700000000, -0.0387832800000000, 0.0000013900000000 ] - [ -0.0003881000000000, -0.0388347300000000, 0.0000000000000000 ] - [ 0.0002437800000000, -0.0388690200000000, 0.0000000000000000 ] - [ 0.0002149300000000, -0.0387924600000000, 0.0000000000000000 ] - [ -0.0000265800000000, -0.0388347000000000, 0.0000000000000000 ] - [ 0.0000280800000000, -0.0388444400000000, 0.0000000000000000 ] - [ 0.0000002000000000, -0.0388171300000000, 0.0000000000000000 ] - [ -0.0002616200000000, -0.0388381000000000, 0.0000034700000000 ] - [ 0.0005940900000000, -0.0384947000000000, -0.0002090700000000 ] - [ 0.0005666400000000, -0.0391671700000000, 0.0002099700000000 ] - [ -0.0000323200000000, -0.0388336100000000, 0.0000000900000000 ] - [ 0.0000142200000000, -0.0388774900000000, 0.0000019000000000 ] - [ -0.0000133700000000, -0.0387832800000000, -0.0000013900000000 ] - [ 0.0007199600000000, 0.0383647200000000, 0.0000000000000000 ] - [ -0.0002999800000000, 0.0386558700000000, 0.0000000000000000 ] - [ -0.0002174000000000, 0.0380706900000000, 0.0000000000000000 ] - [ 0.0001111700000000, 0.0383592000000000, 0.0000000000000000 ] - [ -0.0001126400000000, 0.0382832500000000, 0.0000000000000000 ] - [ -0.0000272500000000, 0.0384398000000000, 0.0000000000000000 ] - [ 0.0002623000000000, 0.0383606400000000, 0.0000013800000000 ] - [ -0.0002288800000000, 0.0386083400000000, -0.0000994500000000 ] - [ -0.0001445900000000, 0.0381185800000000, 0.0001007400000000 ] - [ 0.0000412200000000, 0.0383594900000000, 0.0000000800000000 ] - [ -0.0000681200000000, 0.0383444100000000, -0.0000204600000000 ] - [ 0.0000171000000000, 0.0383789100000000, 0.0000205200000000 ] - [ 0.0002623000000000, 0.0383606400000000, -0.0000013800000000 ] - [ -0.0002288800000000, 0.0386083400000000, 0.0000994500000000 ] - [ -0.0001445900000000, 0.0381185800000000, -0.0001007400000000 ] - [ 0.0000412200000000, 0.0383594900000000, -0.0000000800000000 ] - [ -0.0000681200000000, 0.0383444100000000, 0.0000204600000000 ] - [ 0.0000171000000000, 0.0383789100000000, -0.0000205200000000 ] - [ 0.0023140600000000, -0.0374859900000000, 0.0023034100000000 ] - [ -0.0007439800000000, -0.0383592700000000, -0.0000002300000000 ] - [ 0.0021579800000000, -0.0392147900000000, -0.0021957900000000 ] - [ 0.0000529500000000, -0.0383758400000000, 0.0000045900000000 ] - [ -0.0000173500000000, -0.0383603000000000, 0.0000000600000000 ] - [ -0.0000325300000000, -0.0383494500000000, -0.0000043000000000 ] - [ 0.0002566900000000, -0.0384162200000000, 0.0000000000000000 ] - [ -0.0011919800000000, -0.0383593300000000, 0.0000000000000000 ] - [ 0.0001708200000000, -0.0383054800000000, 0.0000000000000000 ] - [ 0.0000491100000000, -0.0383616500000000, 0.0000000000000000 ] - [ -0.0000116800000000, -0.0383602100000000, 0.0000000000000000 ] - [ -0.0000362100000000, -0.0383631900000000, 0.0000000000000000 ] - [ 0.0023140600000000, -0.0374859900000000, -0.0023034100000000 ] - [ -0.0007439800000000, -0.0383592700000000, 0.0000002300000000 ] - [ 0.0021579800000000, -0.0392147900000000, 0.0021957900000000 ] - [ 0.0000529500000000, -0.0383758400000000, -0.0000045900000000 ] - [ -0.0000173500000000, -0.0383603000000000, -0.0000000600000000 ] - [ -0.0000325300000000, -0.0383494500000000, 0.0000043000000000 ] - [ 0.0006940100000000, 0.0385617500000000, 0.0000000000000000 ] - [ -0.0004741600000000, 0.0383590900000000, 0.0000000000000000 ] - [ 0.0005890800000000, 0.0381938600000000, 0.0000000000000000 ] - [ 0.0000393700000000, 0.0383555200000000, 0.0000000000000000 ] - [ -0.0000170600000000, 0.0383595800000000, 0.0000000000000000 ] - [ -0.0000460200000000, 0.0383661300000000, 0.0000000000000000 ] - [ 0.0002133100000000, 0.0379802300000000, -0.0002713200000000 ] - [ -0.0003363600000000, 0.0383591000000000, 0.0000002500000000 ] - [ 0.0001264500000000, 0.0387397400000000, 0.0002712200000000 ] - [ 0.0000527800000000, 0.0383850700000000, -0.0000026900000000 ] - [ -0.0000164200000000, 0.0383597100000000, 0.0000001500000000 ] - [ -0.0000326600000000, 0.0383385600000000, 0.0000031300000000 ] - [ 0.0002133100000000, 0.0379802300000000, 0.0002713200000000 ] - [ -0.0003363600000000, 0.0383591000000000, -0.0000002500000000 ] - [ 0.0001264500000000, 0.0387397400000000, -0.0002712200000000 ] - [ 0.0000527800000000, 0.0383850700000000, 0.0000026900000000 ] - [ -0.0000164200000000, 0.0383597100000000, -0.0000001500000000 ] - [ -0.0000326600000000, 0.0383385600000000, -0.0000031300000000 ] - [ 0.0001950500000000, -0.0383592300000000, -0.0000002200000000 ] - [ -0.0001091900000000, -0.0385158700000000, -0.0000354500000000 ] - [ -0.0000239000000000, -0.0382091300000000, 0.0000352400000000 ] - [ 0.0001664200000000, -0.0383617600000000, 0.0000028200000000 ] - [ -0.0001307400000000, -0.0382502400000000, -0.0000001000000000 ] - [ -0.0000469900000000, -0.0384736000000000, 0.0000015400000000 ] - [ 0.0000540800000000, -0.0383603000000000, 0.0000000000000000 ] - [ -0.0000692200000000, -0.0383715400000000, 0.0000000000000000 ] - [ 0.0000159400000000, -0.0383536800000000, 0.0000000000000000 ] - [ 0.0000721900000000, -0.0383596700000000, 0.0000000000000000 ] - [ -0.0000835400000000, -0.0383184900000000, 0.0000000000000000 ] - [ 0.0000014000000000, -0.0384052000000000, 0.0000000000000000 ] - [ 0.0001950500000000, -0.0383592300000000, 0.0000002200000000 ] - [ -0.0001091900000000, -0.0385158700000000, 0.0000354500000000 ] - [ -0.0000239000000000, -0.0382091300000000, -0.0000352400000000 ] - [ 0.0001664200000000, -0.0383617600000000, -0.0000028200000000 ] - [ -0.0001307400000000, -0.0382502400000000, 0.0000001000000000 ] - [ -0.0000469900000000, -0.0384736000000000, -0.0000015400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0196708500000000, 0.0000000000000000 ] - [ -0.0000361800000000, 0.0385192700000000, 0.0000000000000000 ] - [ 0.0000361800000000, 0.0385192700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0392407700000000, 0.0000000000000000 ] - [ -0.0000145900000000, 0.0390461700000000, 0.0000000000000000 ] - [ 0.0000145900000000, 0.0390461700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0385844800000000, 0.0000590400000000 ] - [ 0.0002427500000000, 0.0386418600000000, 0.0002814800000000 ] - [ -0.0002427500000000, 0.0386418600000000, 0.0002814800000000 ] - [ 0.0000000000000000, 0.0390207100000000, -0.0000153400000000 ] - [ 0.0000080000000000, 0.0390178300000000, -0.0000140300000000 ] - [ -0.0000080000000000, 0.0390178300000000, -0.0000140300000000 ] - [ 0.0000000000000000, 0.0385844800000000, -0.0000590400000000 ] - [ 0.0002427500000000, 0.0386418600000000, -0.0002814800000000 ] - [ -0.0002427500000000, 0.0386418600000000, -0.0002814800000000 ] - [ 0.0000000000000000, 0.0390207100000000, 0.0000153400000000 ] - [ 0.0000080000000000, 0.0390178300000000, 0.0000140300000000 ] - [ -0.0000080000000000, 0.0390178300000000, 0.0000140300000000 ] - [ -0.0008173800000000, -0.0385986700000000, -0.0008197900000000 ] - [ 0.0000000000000000, -0.0390905200000000, -0.0000586800000000 ] - [ 0.0008173800000000, -0.0385986700000000, -0.0008197900000000 ] - [ 0.0000298400000000, -0.0385702200000000, 0.0000538900000000 ] - [ 0.0000000000000000, -0.0386399500000000, 0.0000288400000000 ] - [ -0.0000298400000000, -0.0385702200000000, 0.0000538900000000 ] - [ -0.0000379900000000, -0.0390499600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0391217600000000, 0.0000000000000000 ] - [ 0.0000379900000000, -0.0390499600000000, 0.0000000000000000 ] - [ -0.0000088200000000, -0.0386704100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0386693000000000, 0.0000000000000000 ] - [ 0.0000088200000000, -0.0386704100000000, 0.0000000000000000 ] - [ -0.0008173800000000, -0.0385986700000000, 0.0008197900000000 ] - [ 0.0000000000000000, -0.0390905200000000, 0.0000586800000000 ] - [ 0.0008173800000000, -0.0385986700000000, 0.0008197900000000 ] - [ 0.0000298400000000, -0.0385702200000000, -0.0000538900000000 ] - [ 0.0000000000000000, -0.0386399500000000, -0.0000288400000000 ] - [ -0.0000298400000000, -0.0385702200000000, -0.0000538900000000 ] - [ -0.0001268400000000, 0.0398486300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0388816700000000, 0.0000000000000000 ] - [ 0.0001268400000000, 0.0398486300000000, 0.0000000000000000 ] - [ -0.0008833500000000, 0.0398377400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0388831700000000, 0.0000000000000000 ] - [ 0.0008833500000000, 0.0398377400000000, 0.0000000000000000 ] - [ 0.0000550600000000, 0.0389290000000000, 0.0000866600000000 ] - [ 0.0000000000000000, 0.0388898800000000, 0.0000444300000000 ] - [ -0.0000550600000000, 0.0389290000000000, 0.0000866600000000 ] - [ -0.0001389800000000, 0.0389305000000000, -0.0002189900000000 ] - [ 0.0000000000000000, 0.0388913100000000, -0.0000689500000000 ] - [ 0.0001389800000000, 0.0389305000000000, -0.0002189900000000 ] - [ 0.0000550600000000, 0.0389290000000000, -0.0000866600000000 ] - [ 0.0000000000000000, 0.0388898800000000, -0.0000444300000000 ] - [ -0.0000550600000000, 0.0389290000000000, -0.0000866600000000 ] - [ -0.0001389800000000, 0.0389305000000000, 0.0002189900000000 ] - [ 0.0000000000000000, 0.0388913100000000, 0.0000689500000000 ] - [ 0.0001389800000000, 0.0389305000000000, 0.0002189900000000 ] - [ 0.0000000000000000, -0.0374490000000000, 0.0010429000000000 ] - [ 0.0003504700000000, -0.0387868300000000, 0.0004468700000000 ] - [ -0.0003504700000000, -0.0387868300000000, 0.0004468700000000 ] - [ 0.0000000000000000, -0.0384653600000000, -0.0000263500000000 ] - [ -0.0000326500000000, -0.0386488500000000, -0.0000663300000000 ] - [ 0.0000326500000000, -0.0386488500000000, -0.0000663300000000 ] - [ 0.0000000000000000, -0.0388743700000000, 0.0000000000000000 ] - [ -0.0000246900000000, -0.0388068600000000, 0.0000000000000000 ] - [ 0.0000246900000000, -0.0388068600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0387427300000000, 0.0000000000000000 ] - [ 0.0000003400000000, -0.0387452100000000, 0.0000000000000000 ] - [ -0.0000003400000000, -0.0387452100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0374490000000000, -0.0010429000000000 ] - [ 0.0003504700000000, -0.0387868300000000, -0.0004468700000000 ] - [ -0.0003504700000000, -0.0387868300000000, -0.0004468700000000 ] - [ 0.0000000000000000, -0.0384653600000000, 0.0000263500000000 ] - [ -0.0000326500000000, -0.0386488500000000, 0.0000663300000000 ] - [ 0.0000326500000000, -0.0386488500000000, 0.0000663300000000 ] - [ 0.0000000000000000, 0.0479607900000000, 0.0000000000000000 ] - [ 0.0002966900000000, 0.0386107700000000, 0.0000000000000000 ] - [ -0.0002966900000000, 0.0386107700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0379902600000000, 0.0000000000000000 ] - [ -0.0001251900000000, 0.0381169900000000, 0.0000000000000000 ] - [ 0.0001251900000000, 0.0381169900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0385859200000000, 0.0002859400000000 ] - [ 0.0001269500000000, 0.0386160500000000, 0.0001820900000000 ] - [ -0.0001269500000000, 0.0386160500000000, 0.0001820900000000 ] - [ 0.0000000000000000, 0.0381675900000000, -0.0000561300000000 ] - [ -0.0000630100000000, 0.0381863300000000, -0.0000260300000000 ] - [ 0.0000630100000000, 0.0381863300000000, -0.0000260300000000 ] - [ 0.0000000000000000, 0.0385859200000000, -0.0002859400000000 ] - [ 0.0001269500000000, 0.0386160500000000, -0.0001820900000000 ] - [ -0.0001269500000000, 0.0386160500000000, -0.0001820900000000 ] - [ 0.0000000000000000, 0.0381675900000000, 0.0000561300000000 ] - [ -0.0000630100000000, 0.0381863300000000, 0.0000260300000000 ] - [ 0.0000630100000000, 0.0381863300000000, 0.0000260300000000 ] - [ 0.0005926000000000, -0.0377555800000000, 0.0006705200000000 ] - [ 0.0000000000000000, -0.0380741800000000, 0.0000741300000000 ] - [ -0.0005926000000000, -0.0377555800000000, 0.0006705200000000 ] - [ 0.0000571200000000, -0.0386155200000000, 0.0000281200000000 ] - [ 0.0000000000000000, -0.0385502600000000, 0.0000136600000000 ] - [ -0.0000571200000000, -0.0386155200000000, 0.0000281200000000 ] - [ 0.0001489800000000, -0.0381315800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0383127200000000, 0.0000000000000000 ] - [ -0.0001489800000000, -0.0381315800000000, 0.0000000000000000 ] - [ 0.0000449700000000, -0.0385295800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0385286000000000, 0.0000000000000000 ] - [ -0.0000449700000000, -0.0385295800000000, 0.0000000000000000 ] - [ 0.0005926000000000, -0.0377555800000000, -0.0006705200000000 ] - [ 0.0000000000000000, -0.0380741800000000, -0.0000741300000000 ] - [ -0.0005926000000000, -0.0377555800000000, -0.0006705200000000 ] - [ 0.0000571200000000, -0.0386155200000000, -0.0000281200000000 ] - [ 0.0000000000000000, -0.0385502600000000, -0.0000136600000000 ] - [ -0.0000571200000000, -0.0386155200000000, -0.0000281200000000 ] - [ 0.0000468400000000, 0.0388429700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0384929100000000, 0.0000000000000000 ] - [ -0.0000468400000000, 0.0388429700000000, 0.0000000000000000 ] - [ 0.0000387300000000, 0.0379000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0381972900000000, 0.0000000000000000 ] - [ -0.0000387300000000, 0.0379000000000000, 0.0000000000000000 ] - [ -0.0000491800000000, 0.0384859900000000, -0.0002214600000000 ] - [ 0.0000000000000000, 0.0384008700000000, -0.0001245100000000 ] - [ 0.0000491800000000, 0.0384859900000000, -0.0002214600000000 ] - [ 0.0000567300000000, 0.0381936900000000, 0.0000487000000000 ] - [ 0.0000000000000000, 0.0382229000000000, 0.0000321400000000 ] - [ -0.0000567300000000, 0.0381936900000000, 0.0000487000000000 ] - [ -0.0000491800000000, 0.0384859900000000, 0.0002214600000000 ] - [ 0.0000000000000000, 0.0384008700000000, 0.0001245100000000 ] - [ 0.0000491800000000, 0.0384859900000000, 0.0002214600000000 ] - [ 0.0000567300000000, 0.0381936900000000, -0.0000487000000000 ] - [ 0.0000000000000000, 0.0382229000000000, -0.0000321400000000 ] - [ -0.0000567300000000, 0.0381936900000000, -0.0000487000000000 ] - [ 0.0000000000000000, -0.0387727400000000, -0.0001703600000000 ] - [ -0.0001294500000000, -0.0385197100000000, -0.0000678400000000 ] - [ 0.0001294500000000, -0.0385197100000000, -0.0000678400000000 ] - [ 0.0000000000000000, -0.0390097000000000, 0.0009311800000000 ] - [ 0.0001983100000000, -0.0384092300000000, 0.0001859700000000 ] - [ -0.0001983100000000, -0.0384092300000000, 0.0001859700000000 ] - [ 0.0000000000000000, -0.0384390400000000, 0.0000000000000000 ] - [ -0.0000615400000000, -0.0384592200000000, 0.0000000000000000 ] - [ 0.0000615400000000, -0.0384592200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0383551800000000, 0.0000000000000000 ] - [ -0.0000103700000000, -0.0383720000000000, 0.0000000000000000 ] - [ 0.0000103700000000, -0.0383720000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0387727400000000, 0.0001703600000000 ] - [ -0.0001294500000000, -0.0385197100000000, 0.0000678400000000 ] - [ 0.0001294500000000, -0.0385197100000000, 0.0000678400000000 ] - [ 0.0000000000000000, -0.0390097000000000, -0.0009311800000000 ] - [ 0.0001983100000000, -0.0384092300000000, -0.0001859700000000 ] - [ -0.0001983100000000, -0.0384092300000000, -0.0001859700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0583986300000000, 0.0000000000000000 ] - [ 0.0000593400000000, 0.0391439700000000, 0.0000000000000000 ] - [ -0.0000593400000000, 0.0391439700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0384271600000000, 0.0000000000000000 ] - [ 0.0000430200000000, 0.0386146700000000, 0.0000000000000000 ] - [ -0.0000430200000000, 0.0386146700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0390872700000000, -0.0000617100000000 ] - [ -0.0002211000000000, 0.0390208500000000, -0.0002891900000000 ] - [ 0.0002211000000000, 0.0390208500000000, -0.0002891900000000 ] - [ 0.0000000000000000, 0.0386480700000000, 0.0000157300000000 ] - [ 0.0000202200000000, 0.0386428800000000, 0.0000144300000000 ] - [ -0.0000202200000000, 0.0386428800000000, 0.0000144300000000 ] - [ 0.0000000000000000, 0.0390872700000000, 0.0000617100000000 ] - [ -0.0002211000000000, 0.0390208500000000, 0.0002891900000000 ] - [ 0.0002211000000000, 0.0390208500000000, 0.0002891900000000 ] - [ 0.0000000000000000, 0.0386480700000000, -0.0000157300000000 ] - [ 0.0000202200000000, 0.0386428800000000, -0.0000144300000000 ] - [ -0.0000202200000000, 0.0386428800000000, -0.0000144300000000 ] - [ 0.0007971000000000, -0.0390660000000000, 0.0008284400000000 ] - [ 0.0000000000000000, -0.0385766600000000, 0.0000587800000000 ] - [ -0.0007971000000000, -0.0390660000000000, 0.0008284400000000 ] - [ -0.0000572000000000, -0.0390917400000000, -0.0000531100000000 ] - [ 0.0000000000000000, -0.0390306200000000, -0.0000284300000000 ] - [ 0.0000572000000000, -0.0390917400000000, -0.0000531100000000 ] - [ 0.0000097900000000, -0.0386093400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0385421000000000, 0.0000000000000000 ] - [ -0.0000097900000000, -0.0386093400000000, 0.0000000000000000 ] - [ -0.0000190000000000, -0.0389921400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0390010800000000, 0.0000000000000000 ] - [ 0.0000190000000000, -0.0389921400000000, 0.0000000000000000 ] - [ 0.0007971000000000, -0.0390660000000000, -0.0008284400000000 ] - [ 0.0000000000000000, -0.0385766600000000, -0.0000587800000000 ] - [ -0.0007971000000000, -0.0390660000000000, -0.0008284400000000 ] - [ -0.0000572000000000, -0.0390917400000000, 0.0000531100000000 ] - [ 0.0000000000000000, -0.0390306200000000, 0.0000284300000000 ] - [ 0.0000572000000000, -0.0390917400000000, 0.0000531100000000 ] - [ 0.0000977100000000, 0.0378223000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0387861300000000, 0.0000000000000000 ] - [ -0.0000977100000000, 0.0378223000000000, 0.0000000000000000 ] - [ 0.0008660600000000, 0.0378111200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0387876200000000, 0.0000000000000000 ] - [ -0.0008660600000000, 0.0378111200000000, 0.0000000000000000 ] - [ -0.0000824500000000, 0.0387303600000000, -0.0000857700000000 ] - [ 0.0000000000000000, 0.0387775500000000, -0.0000440800000000 ] - [ 0.0000824500000000, 0.0387303600000000, -0.0000857700000000 ] - [ 0.0001129000000000, 0.0387318900000000, 0.0002214800000000 ] - [ 0.0000000000000000, 0.0387790100000000, 0.0000693600000000 ] - [ -0.0001129000000000, 0.0387318900000000, 0.0002214800000000 ] - [ -0.0000824500000000, 0.0387303600000000, 0.0000857700000000 ] - [ 0.0000000000000000, 0.0387775500000000, 0.0000440800000000 ] - [ 0.0000824500000000, 0.0387303600000000, 0.0000857700000000 ] - [ 0.0001129000000000, 0.0387318900000000, -0.0002214800000000 ] - [ 0.0000000000000000, 0.0387790100000000, -0.0000693600000000 ] - [ -0.0001129000000000, 0.0387318900000000, -0.0002214800000000 ] - [ 0.0000000000000000, -0.0401918900000000, -0.0010204800000000 ] - [ -0.0003220300000000, -0.0388796200000000, -0.0004418100000000 ] - [ 0.0003220300000000, -0.0388796200000000, -0.0004418100000000 ] - [ 0.0000000000000000, -0.0392072600000000, 0.0000265900000000 ] - [ 0.0000614500000000, -0.0390126300000000, 0.0000671900000000 ] - [ -0.0000614500000000, -0.0390126300000000, 0.0000671900000000 ] - [ 0.0000000000000000, -0.0387979100000000, 0.0000000000000000 ] - [ 0.0000520000000000, -0.0388571000000000, 0.0000000000000000 ] - [ -0.0000520000000000, -0.0388571000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0389263100000000, 0.0000000000000000 ] - [ 0.0000277300000000, -0.0389156600000000, 0.0000000000000000 ] - [ -0.0000277300000000, -0.0389156600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0401918900000000, 0.0010204800000000 ] - [ -0.0003220300000000, -0.0388796200000000, 0.0004418100000000 ] - [ 0.0003220300000000, -0.0388796200000000, 0.0004418100000000 ] - [ 0.0000000000000000, -0.0392072600000000, -0.0000265900000000 ] - [ 0.0000614500000000, -0.0390126300000000, -0.0000671900000000 ] - [ -0.0000614500000000, -0.0390126300000000, -0.0000671900000000 ] - [ 0.0000000000000000, 0.0282701800000000, 0.0000000000000000 ] - [ -0.0003823300000000, 0.0381025900000000, 0.0000000000000000 ] - [ 0.0003823300000000, 0.0381025900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0387233100000000, 0.0000000000000000 ] - [ 0.0000390100000000, 0.0386026000000000, 0.0000000000000000 ] - [ -0.0000390100000000, 0.0386026000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0381243200000000, -0.0002865300000000 ] - [ -0.0002130300000000, 0.0380986200000000, -0.0001826500000000 ] - [ 0.0002130300000000, 0.0380986200000000, -0.0001826500000000 ] - [ 0.0000000000000000, 0.0385480100000000, 0.0000553400000000 ] - [ -0.0000224800000000, 0.0385337000000000, 0.0000256500000000 ] - [ 0.0000224800000000, 0.0385337000000000, 0.0000256500000000 ] - [ 0.0000000000000000, 0.0381243200000000, 0.0002865300000000 ] - [ -0.0002130300000000, 0.0380986200000000, 0.0001826500000000 ] - [ 0.0002130300000000, 0.0380986200000000, 0.0001826500000000 ] - [ 0.0000000000000000, 0.0385480100000000, -0.0000553400000000 ] - [ -0.0000224800000000, 0.0385337000000000, -0.0000256500000000 ] - [ 0.0000224800000000, 0.0385337000000000, -0.0000256500000000 ] - [ -0.0005039100000000, -0.0389708500000000, -0.0006656500000000 ] - [ 0.0000000000000000, -0.0386406100000000, -0.0000726700000000 ] - [ 0.0005039100000000, -0.0389708500000000, -0.0006656500000000 ] - [ 0.0000277200000000, -0.0381027400000000, -0.0000289000000000 ] - [ 0.0000000000000000, -0.0381638100000000, -0.0000139600000000 ] - [ -0.0000277200000000, -0.0381027400000000, -0.0000289000000000 ] - [ -0.0000640400000000, -0.0385883000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0384004200000000, 0.0000000000000000 ] - [ 0.0000640400000000, -0.0385883000000000, 0.0000000000000000 ] - [ 0.0000402800000000, -0.0381889600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0381854300000000, 0.0000000000000000 ] - [ -0.0000402800000000, -0.0381889600000000, 0.0000000000000000 ] - [ -0.0005039100000000, -0.0389708500000000, 0.0006656500000000 ] - [ 0.0000000000000000, -0.0386406100000000, 0.0000726700000000 ] - [ 0.0005039100000000, -0.0389708500000000, 0.0006656500000000 ] - [ 0.0000277200000000, -0.0381027400000000, 0.0000289000000000 ] - [ 0.0000000000000000, -0.0381638100000000, 0.0000139600000000 ] - [ -0.0000277200000000, -0.0381027400000000, 0.0000289000000000 ] - [ 0.0000735900000000, 0.0379197900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0382243900000000, 0.0000000000000000 ] - [ -0.0000735900000000, 0.0379197900000000, 0.0000000000000000 ] - [ 0.0000465400000000, 0.0388231500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0385172400000000, 0.0000000000000000 ] - [ -0.0000465400000000, 0.0388231500000000, 0.0000000000000000 ] - [ 0.0001338300000000, 0.0382372900000000, 0.0002215500000000 ] - [ 0.0000000000000000, 0.0383159500000000, 0.0001229400000000 ] - [ -0.0001338300000000, 0.0382372900000000, 0.0002215500000000 ] - [ 0.0000282400000000, 0.0385253800000000, -0.0000495500000000 ] - [ 0.0000000000000000, 0.0384916300000000, -0.0000325100000000 ] - [ -0.0000282400000000, 0.0385253800000000, -0.0000495500000000 ] - [ 0.0001338300000000, 0.0382372900000000, -0.0002215500000000 ] - [ 0.0000000000000000, 0.0383159500000000, -0.0001229400000000 ] - [ -0.0001338300000000, 0.0382372900000000, -0.0002215500000000 ] - [ 0.0000282400000000, 0.0385253800000000, 0.0000495500000000 ] - [ 0.0000000000000000, 0.0384916300000000, 0.0000325100000000 ] - [ -0.0000282400000000, 0.0385253800000000, 0.0000495500000000 ] - [ 0.0000000000000000, -0.0379428400000000, 0.0001689000000000 ] - [ 0.0000429900000000, -0.0381977400000000, 0.0000669200000000 ] - [ -0.0000429900000000, -0.0381977400000000, 0.0000669200000000 ] - [ 0.0000000000000000, -0.0376978200000000, -0.0009463800000000 ] - [ -0.0002858200000000, -0.0383123900000000, -0.0001878100000000 ] - [ 0.0002858200000000, -0.0383123900000000, -0.0001878100000000 ] - [ 0.0000000000000000, -0.0382738500000000, 0.0000000000000000 ] - [ -0.0000237800000000, -0.0382581300000000, 0.0000000000000000 ] - [ 0.0000237800000000, -0.0382581300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0383612800000000, 0.0000000000000000 ] - [ -0.0000751500000000, -0.0383484700000000, 0.0000000000000000 ] - [ 0.0000751500000000, -0.0383484700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0379428400000000, -0.0001689000000000 ] - [ 0.0000429900000000, -0.0381977400000000, -0.0000669200000000 ] - [ -0.0000429900000000, -0.0381977400000000, -0.0000669200000000 ] - [ 0.0000000000000000, -0.0376978200000000, 0.0009463800000000 ] - [ -0.0002858200000000, -0.0383123900000000, 0.0001878100000000 ] - [ 0.0002858200000000, -0.0383123900000000, 0.0001878100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0387696000000000, -0.0180813900000000 ] - [ 0.0000127000000000, 0.0388296100000000, -0.0004549200000000 ] - [ -0.0000127000000000, 0.0388296100000000, -0.0004549200000000 ] - [ 0.0000000000000000, 0.0388355100000000, -0.0000127000000000 ] - [ 0.0000138400000000, 0.0388313700000000, -0.0000167200000000 ] - [ -0.0000138400000000, 0.0388313700000000, -0.0000167200000000 ] - [ 0.0000000000000000, 0.0387745900000000, 0.0003448000000000 ] - [ 0.0012883900000000, 0.0385437900000000, 0.0016275800000000 ] - [ -0.0012883900000000, 0.0385437900000000, 0.0016275800000000 ] - [ 0.0000000000000000, 0.0388508200000000, 0.0000137500000000 ] - [ 0.0000133200000000, 0.0388455800000000, 0.0000134800000000 ] - [ -0.0000133200000000, 0.0388455800000000, 0.0000134800000000 ] - [ 0.0000000000000000, 0.0388953100000000, 0.0003414400000000 ] - [ -0.0012546600000000, 0.0391144700000000, 0.0016176300000000 ] - [ 0.0012546600000000, 0.0391144700000000, 0.0016176300000000 ] - [ 0.0000000000000000, 0.0388199700000000, 0.0000139300000000 ] - [ 0.0000146000000000, 0.0388172900000000, 0.0000135900000000 ] - [ -0.0000146000000000, 0.0388172900000000, 0.0000135900000000 ] - [ 0.0004938800000000, -0.0396581100000000, 0.0003742600000000 ] - [ 0.0000000000000000, -0.0388944800000000, -0.0001232100000000 ] - [ -0.0004938800000000, -0.0396581100000000, 0.0003742600000000 ] - [ -0.0000010300000000, -0.0387774200000000, -0.0000205600000000 ] - [ 0.0000000000000000, -0.0388061300000000, -0.0000207700000000 ] - [ 0.0000010300000000, -0.0387774200000000, -0.0000205600000000 ] - [ -0.0000142800000000, -0.0388320900000000, 0.0002267400000000 ] - [ 0.0000000000000000, -0.0388356900000000, 0.0006441200000000 ] - [ 0.0000142800000000, -0.0388320900000000, 0.0002267400000000 ] - [ -0.0000139900000000, -0.0388309000000000, 0.0000458700000000 ] - [ 0.0000000000000000, -0.0388349000000000, 0.0000460200000000 ] - [ 0.0000139900000000, -0.0388309000000000, 0.0000458700000000 ] - [ -0.0005168300000000, -0.0380099500000000, 0.0003720900000000 ] - [ 0.0000000000000000, -0.0387772100000000, -0.0001220400000000 ] - [ 0.0005168300000000, -0.0380099500000000, 0.0003720900000000 ] - [ -0.0000272600000000, -0.0388844200000000, -0.0000201000000000 ] - [ 0.0000000000000000, -0.0388634400000000, -0.0000204500000000 ] - [ 0.0000272600000000, -0.0388844200000000, -0.0000201000000000 ] - [ -0.0000140800000000, 0.0388283600000000, -0.0000446700000000 ] - [ 0.0000000000000000, 0.0388353700000000, -0.0001124100000000 ] - [ 0.0000140800000000, 0.0388283600000000, -0.0000446700000000 ] - [ -0.0000162100000000, 0.0388338000000000, -0.0000446300000000 ] - [ 0.0000000000000000, 0.0388352800000000, -0.0001123800000000 ] - [ 0.0000162100000000, 0.0388338000000000, -0.0000446300000000 ] - [ 0.0000382300000000, 0.0390522400000000, 0.0000574300000000 ] - [ 0.0000000000000000, 0.0389050200000000, 0.0000518400000000 ] - [ -0.0000382300000000, 0.0390522400000000, 0.0000574300000000 ] - [ -0.0000215500000000, 0.0387449200000000, 0.0000569400000000 ] - [ 0.0000000000000000, 0.0387908300000000, 0.0000517200000000 ] - [ 0.0000215500000000, 0.0387449200000000, 0.0000569400000000 ] - [ -0.0000663600000000, 0.0386117500000000, 0.0000578200000000 ] - [ 0.0000000000000000, 0.0387666000000000, 0.0000521900000000 ] - [ 0.0000663600000000, 0.0386117500000000, 0.0000578200000000 ] - [ -0.0000074400000000, 0.0389172800000000, 0.0000582700000000 ] - [ 0.0000000000000000, 0.0388791300000000, 0.0000522900000000 ] - [ 0.0000074400000000, 0.0389172800000000, 0.0000582700000000 ] - [ 0.0000000000000000, -0.0377975600000000, 0.0005163100000000 ] - [ 0.0002228800000000, -0.0383852800000000, -0.0001103800000000 ] - [ -0.0002228800000000, -0.0383852800000000, -0.0001103800000000 ] - [ 0.0000000000000000, -0.0388609500000000, -0.0000097400000000 ] - [ 0.0000122900000000, -0.0388979200000000, -0.0000059300000000 ] - [ -0.0000122900000000, -0.0388979200000000, -0.0000059300000000 ] - [ 0.0000000000000000, -0.0388345900000000, 0.0004119000000000 ] - [ 0.0000141300000000, -0.0388306300000000, 0.0002525100000000 ] - [ -0.0000141300000000, -0.0388306300000000, 0.0002525100000000 ] - [ 0.0000000000000000, -0.0388351800000000, 0.0000276900000000 ] - [ 0.0000139100000000, -0.0388311900000000, 0.0000235500000000 ] - [ -0.0000139100000000, -0.0388311900000000, 0.0000235500000000 ] - [ 0.0000000000000000, -0.0398606100000000, 0.0005140000000000 ] - [ -0.0001961700000000, -0.0392738500000000, -0.0001065000000000 ] - [ 0.0001961700000000, -0.0392738500000000, -0.0001065000000000 ] - [ 0.0000000000000000, -0.0388078500000000, -0.0000095900000000 ] - [ 0.0000154600000000, -0.0387643800000000, -0.0000056300000000 ] - [ -0.0000154600000000, -0.0387643800000000, -0.0000056300000000 ] - [ 0.0000000000000000, 0.0383623900000000, 0.0004231600000000 ] - [ -0.0000411400000000, 0.0383594500000000, 0.0002997500000000 ] - [ 0.0000411400000000, 0.0383594500000000, 0.0002997500000000 ] - [ 0.0000000000000000, 0.0383575200000000, 0.0000640100000000 ] - [ -0.0000423500000000, 0.0383594200000000, 0.0000606000000000 ] - [ 0.0000423500000000, 0.0383594200000000, 0.0000606000000000 ] - [ 0.0000000000000000, 0.0385927800000000, -0.0002602900000000 ] - [ -0.0001674800000000, 0.0386627100000000, -0.0002032200000000 ] - [ 0.0001674800000000, 0.0386627100000000, -0.0002032200000000 ] - [ 0.0000000000000000, 0.0383059300000000, -0.0000412500000000 ] - [ -0.0000571000000000, 0.0383233800000000, -0.0000353900000000 ] - [ 0.0000571000000000, 0.0383233800000000, -0.0000353900000000 ] - [ 0.0000000000000000, 0.0381236600000000, -0.0002624100000000 ] - [ 0.0000831700000000, 0.0380598200000000, -0.0002046200000000 ] - [ -0.0000831700000000, 0.0380598200000000, -0.0002046200000000 ] - [ 0.0000000000000000, 0.0384081100000000, -0.0000414400000000 ] - [ -0.0000281300000000, 0.0383950200000000, -0.0000355200000000 ] - [ 0.0000281300000000, 0.0383950200000000, -0.0000355200000000 ] - [ 0.0018690700000000, -0.0373710600000000, 0.0027906200000000 ] - [ 0.0000000000000000, -0.0383752400000000, 0.0002765800000000 ] - [ -0.0018690700000000, -0.0373710600000000, 0.0027906200000000 ] - [ 0.0000470200000000, -0.0383694000000000, 0.0000142700000000 ] - [ 0.0000000000000000, -0.0383611700000000, 0.0000104000000000 ] - [ -0.0000470200000000, -0.0383694000000000, 0.0000142700000000 ] - [ 0.0000436700000000, -0.0383591600000000, -0.0007137700000000 ] - [ 0.0000000000000000, -0.0383576800000000, -0.0011030900000000 ] - [ -0.0000436700000000, -0.0383591600000000, -0.0007137700000000 ] - [ 0.0000426900000000, -0.0383596700000000, -0.0000253500000000 ] - [ 0.0000000000000000, -0.0383574500000000, -0.0000221000000000 ] - [ -0.0000426900000000, -0.0383596700000000, -0.0000253500000000 ] - [ -0.0016734700000000, -0.0393194400000000, 0.0026853600000000 ] - [ 0.0000000000000000, -0.0383375100000000, 0.0002712000000000 ] - [ 0.0016734700000000, -0.0393194400000000, 0.0026853600000000 ] - [ 0.0000384600000000, -0.0383502500000000, 0.0000139600000000 ] - [ 0.0000000000000000, -0.0383537900000000, 0.0000101900000000 ] - [ -0.0000384600000000, -0.0383502500000000, 0.0000139600000000 ] - [ 0.0000458500000000, 0.0383643400000000, 0.0004460600000000 ] - [ 0.0000000000000000, 0.0383579300000000, 0.0002924900000000 ] - [ -0.0000458500000000, 0.0383643400000000, 0.0004460600000000 ] - [ 0.0000427600000000, 0.0383586000000000, 0.0000133300000000 ] - [ 0.0000000000000000, 0.0383571800000000, 0.0000332800000000 ] - [ -0.0000427600000000, 0.0383586000000000, 0.0000133300000000 ] - [ 0.0000251200000000, 0.0379569600000000, -0.0004726000000000 ] - [ 0.0000000000000000, 0.0382254400000000, -0.0001505900000000 ] - [ -0.0000251200000000, 0.0379569600000000, -0.0004726000000000 ] - [ 0.0000481100000000, 0.0383869900000000, -0.0000153700000000 ] - [ 0.0000000000000000, 0.0383718900000000, -0.0000153200000000 ] - [ -0.0000481100000000, 0.0383869900000000, -0.0000153700000000 ] - [ 0.0000620500000000, 0.0387571500000000, -0.0004718900000000 ] - [ 0.0000000000000000, 0.0384876500000000, -0.0001524400000000 ] - [ -0.0000620500000000, 0.0387571500000000, -0.0004718900000000 ] - [ 0.0000373100000000, 0.0383318300000000, -0.0000156700000000 ] - [ 0.0000000000000000, 0.0383426900000000, -0.0000156400000000 ] - [ -0.0000373100000000, 0.0383318300000000, -0.0000156700000000 ] - [ 0.0000000000000000, -0.0385913900000000, 0.0000703900000000 ] - [ -0.0000402800000000, -0.0385008600000000, 0.0000576400000000 ] - [ 0.0000402800000000, -0.0385008600000000, 0.0000576400000000 ] - [ 0.0000000000000000, -0.0382433300000000, 0.0000872900000000 ] - [ -0.0001201600000000, -0.0382379900000000, 0.0000394800000000 ] - [ 0.0001201600000000, -0.0382379900000000, 0.0000394800000000 ] - [ 0.0000000000000000, -0.0383577400000000, -0.0001226500000000 ] - [ -0.0000426500000000, -0.0383600300000000, -0.0001025900000000 ] - [ 0.0000426500000000, -0.0383600300000000, -0.0001025900000000 ] - [ 0.0000000000000000, -0.0383569900000000, -0.0001119400000000 ] - [ -0.0000424500000000, -0.0383589500000000, -0.0001121300000000 ] - [ 0.0000424500000000, -0.0383589500000000, -0.0001121300000000 ] - [ 0.0000000000000000, -0.0381228700000000, 0.0000688900000000 ] - [ -0.0000442100000000, -0.0382193200000000, 0.0000569300000000 ] - [ 0.0000442100000000, -0.0382193200000000, 0.0000569300000000 ] - [ 0.0000000000000000, -0.0384741600000000, 0.0000825900000000 ] - [ 0.0000360500000000, -0.0384804700000000, 0.0000381100000000 ] - [ -0.0000360500000000, -0.0384804700000000, 0.0000381100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007203800000000, 0.0388366400000000, 0.0000000000000000 ] - [ -0.0002450400000000, 0.0384892400000000, 0.0000000000000000 ] - [ -0.0002729100000000, 0.0391689300000000, 0.0000000000000000 ] - [ 0.0001107700000000, 0.0388349400000000, 0.0000000000000000 ] - [ -0.0000561900000000, 0.0389139700000000, 0.0000000000000000 ] - [ -0.0000841500000000, 0.0387481600000000, 0.0000000000000000 ] - [ 0.0002616800000000, 0.0388338100000000, -0.0000001900000000 ] - [ -0.0001722300000000, 0.0386601200000000, -0.0001243500000000 ] - [ -0.0002012400000000, 0.0390002600000000, 0.0001254800000000 ] - [ 0.0000404800000000, 0.0388348500000000, -0.0000000300000000 ] - [ -0.0000115700000000, 0.0388508300000000, -0.0000149500000000 ] - [ -0.0000395700000000, 0.0388108800000000, 0.0000148800000000 ] - [ 0.0002616800000000, 0.0388338100000000, 0.0000001900000000 ] - [ -0.0001722300000000, 0.0386601200000000, 0.0001243500000000 ] - [ -0.0002012400000000, 0.0390002600000000, -0.0001254800000000 ] - [ 0.0000404800000000, 0.0388348500000000, 0.0000000300000000 ] - [ -0.0000115700000000, 0.0388508300000000, 0.0000149500000000 ] - [ -0.0000395700000000, 0.0388108800000000, -0.0000148800000000 ] - [ 0.0022605500000000, -0.0382733500000000, 0.0018190000000000 ] - [ -0.0007449000000000, -0.0388356300000000, -0.0000019000000000 ] - [ 0.0022115500000000, -0.0393708000000000, -0.0017230200000000 ] - [ -0.0000037300000000, -0.0388159500000000, 0.0000042100000000 ] - [ -0.0000183200000000, -0.0388344700000000, -0.0000000200000000 ] - [ 0.0000241400000000, -0.0388449400000000, -0.0000041700000000 ] - [ 0.0001990500000000, -0.0387247000000000, 0.0000000000000000 ] - [ -0.0011921800000000, -0.0388332900000000, 0.0000000000000000 ] - [ 0.0002300900000000, -0.0389376100000000, 0.0000000000000000 ] - [ -0.0000073900000000, -0.0388281600000000, 0.0000000000000000 ] - [ -0.0000128900000000, -0.0388344800000000, 0.0000000000000000 ] - [ 0.0000206200000000, -0.0388329400000000, 0.0000000000000000 ] - [ 0.0022605500000000, -0.0382733500000000, -0.0018190000000000 ] - [ -0.0007449000000000, -0.0388356300000000, 0.0000019000000000 ] - [ 0.0022115500000000, -0.0393708000000000, 0.0017230200000000 ] - [ -0.0000037300000000, -0.0388159500000000, -0.0000042100000000 ] - [ -0.0000183200000000, -0.0388344700000000, 0.0000000200000000 ] - [ 0.0000241400000000, -0.0388449400000000, 0.0000041700000000 ] - [ -0.0000176200000000, 0.0388354600000000, 0.0000000000000000 ] - [ -0.0000171700000000, 0.0388344700000000, 0.0000000000000000 ] - [ 0.0000105200000000, 0.0388278500000000, 0.0000000000000000 ] - [ 0.0006362100000000, 0.0388336200000000, 0.0000000000000000 ] - [ -0.0004747100000000, 0.0388356100000000, 0.0000000000000000 ] - [ 0.0006477500000000, 0.0388069800000000, 0.0000000000000000 ] - [ -0.0000041500000000, 0.0388166100000000, 0.0000054000000000 ] - [ -0.0000173600000000, 0.0388347200000000, 0.0000000300000000 ] - [ 0.0000236100000000, 0.0388448800000000, -0.0000052500000000 ] - [ 0.0001569100000000, 0.0389227200000000, -0.0000185000000000 ] - [ -0.0003360800000000, 0.0388344900000000, -0.0000005000000000 ] - [ 0.0001830300000000, 0.0387397400000000, 0.0000189700000000 ] - [ -0.0000041500000000, 0.0388166100000000, -0.0000054000000000 ] - [ -0.0000173600000000, 0.0388347200000000, -0.0000000300000000 ] - [ 0.0000236100000000, 0.0388448800000000, 0.0000052500000000 ] - [ 0.0001569100000000, 0.0389227200000000, 0.0000185000000000 ] - [ -0.0003360800000000, 0.0388344900000000, 0.0000005000000000 ] - [ 0.0001830300000000, 0.0387397400000000, -0.0000189700000000 ] - [ 0.0001949800000000, -0.0388339100000000, 0.0000008000000000 ] - [ -0.0000520500000000, -0.0389171100000000, 0.0000021200000000 ] - [ -0.0000809200000000, -0.0387446100000000, -0.0000013600000000 ] - [ 0.0001665300000000, -0.0388358500000000, -0.0000007500000000 ] - [ -0.0000750100000000, -0.0385882500000000, -0.0000786600000000 ] - [ -0.0001028900000000, -0.0390720700000000, 0.0000783200000000 ] - [ 0.0000549000000000, -0.0388348200000000, 0.0000000000000000 ] - [ -0.0000139600000000, -0.0388494200000000, 0.0000000000000000 ] - [ -0.0000418200000000, -0.0388117000000000, 0.0000000000000000 ] - [ 0.0000734200000000, -0.0388342400000000, 0.0000000000000000 ] - [ -0.0000275700000000, -0.0387982200000000, 0.0000000000000000 ] - [ -0.0000556300000000, -0.0388633800000000, 0.0000000000000000 ] - [ 0.0001949800000000, -0.0388339100000000, -0.0000008000000000 ] - [ -0.0000520500000000, -0.0389171100000000, -0.0000021200000000 ] - [ -0.0000809200000000, -0.0387446100000000, 0.0000013600000000 ] - [ 0.0001665300000000, -0.0388358500000000, 0.0000007500000000 ] - [ -0.0000750100000000, -0.0385882500000000, 0.0000786600000000 ] - [ -0.0001028900000000, -0.0390720700000000, -0.0000783200000000 ] - [ -0.0119810300000000, 0.0383329100000000, 0.0000000000000000 ] - [ 0.0020247900000000, 0.0383632000000000, 0.0000000000000000 ] - [ 0.0020907000000000, 0.0383621800000000, 0.0000000000000000 ] - [ 0.0000031800000000, 0.0383592700000000, 0.0000000000000000 ] - [ -0.0000370700000000, 0.0383373800000000, 0.0000000000000000 ] - [ 0.0000484700000000, 0.0383857300000000, 0.0000000000000000 ] - [ -0.0013301500000000, 0.0383599500000000, 0.0000009700000000 ] - [ 0.0009091100000000, 0.0383320800000000, 0.0006661600000000 ] - [ 0.0009941300000000, 0.0383913000000000, -0.0006670400000000 ] - [ -0.0000080200000000, 0.0383594100000000, -0.0000000800000000 ] - [ -0.0000375800000000, 0.0383558600000000, 0.0000041000000000 ] - [ 0.0000477300000000, 0.0383673900000000, -0.0000041000000000 ] - [ -0.0013301500000000, 0.0383599500000000, -0.0000009700000000 ] - [ 0.0009091100000000, 0.0383320800000000, -0.0006661600000000 ] - [ 0.0009941300000000, 0.0383913000000000, 0.0006670400000000 ] - [ -0.0000080200000000, 0.0383594100000000, 0.0000000800000000 ] - [ -0.0000375800000000, 0.0383558600000000, -0.0000041000000000 ] - [ 0.0000477300000000, 0.0383673900000000, 0.0000041000000000 ] - [ -0.0000916500000000, -0.0372188400000000, 0.0000813200000000 ] - [ 0.0002973600000000, -0.0383588600000000, 0.0000005400000000 ] - [ -0.0001710500000000, -0.0395009000000000, -0.0000862200000000 ] - [ 0.0000032900000000, -0.0384317500000000, 0.0000570100000000 ] - [ 0.0000852700000000, -0.0383599200000000, 0.0000000800000000 ] - [ -0.0000817400000000, -0.0382924500000000, -0.0000568400000000 ] - [ -0.0000401200000000, -0.0383439400000000, 0.0000000000000000 ] - [ 0.0002549200000000, -0.0383600900000000, 0.0000000000000000 ] - [ -0.0001261100000000, -0.0383786000000000, 0.0000000000000000 ] - [ 0.0000314000000000, -0.0383683100000000, 0.0000000000000000 ] - [ 0.0000289500000000, -0.0383597400000000, 0.0000000000000000 ] - [ -0.0000539300000000, -0.0383557700000000, 0.0000000000000000 ] - [ -0.0000916500000000, -0.0372188400000000, -0.0000813200000000 ] - [ 0.0002973600000000, -0.0383588600000000, -0.0000005400000000 ] - [ -0.0001710500000000, -0.0395009000000000, 0.0000862200000000 ] - [ 0.0000032900000000, -0.0384317500000000, -0.0000570100000000 ] - [ 0.0000852700000000, -0.0383599200000000, -0.0000000800000000 ] - [ -0.0000817400000000, -0.0382924500000000, 0.0000568400000000 ] - [ -0.0000649000000000, 0.0384426600000000, 0.0000000000000000 ] - [ 0.0001608500000000, 0.0383601100000000, 0.0000000000000000 ] - [ -0.0001449600000000, 0.0382768600000000, 0.0000000000000000 ] - [ -0.0000622100000000, 0.0377663400000000, 0.0000000000000000 ] - [ 0.0001608300000000, 0.0383591100000000, 0.0000000000000000 ] - [ -0.0001476300000000, 0.0389551400000000, 0.0000000000000000 ] - [ -0.0000060500000000, 0.0384247500000000, 0.0000557600000000 ] - [ 0.0000844700000000, 0.0383596000000000, 0.0000000400000000 ] - [ -0.0000911200000000, 0.0382992700000000, -0.0000563900000000 ] - [ -0.0000060000000000, 0.0383092900000000, 0.0000290900000000 ] - [ 0.0000844900000000, 0.0383595700000000, 0.0000001800000000 ] - [ -0.0000911800000000, 0.0384140000000000, -0.0000290800000000 ] - [ -0.0000060500000000, 0.0384247500000000, -0.0000557600000000 ] - [ 0.0000844700000000, 0.0383596000000000, -0.0000000400000000 ] - [ -0.0000911200000000, 0.0382992700000000, 0.0000563900000000 ] - [ -0.0000060000000000, 0.0383092900000000, -0.0000290900000000 ] - [ 0.0000844900000000, 0.0383595700000000, -0.0000001800000000 ] - [ -0.0000911800000000, 0.0384140000000000, 0.0000290800000000 ] - [ -0.0000051100000000, -0.0383602100000000, -0.0000001600000000 ] - [ -0.0000386500000000, -0.0383353800000000, 0.0000044000000000 ] - [ 0.0000469000000000, -0.0383886100000000, -0.0000044700000000 ] - [ -0.0015946400000000, -0.0383523700000000, -0.0000053200000000 ] - [ 0.0005209100000000, -0.0387155400000000, 0.0003187300000000 ] - [ 0.0006048600000000, -0.0380096000000000, -0.0003164200000000 ] - [ -0.0000063000000000, -0.0383596700000000, 0.0000000000000000 ] - [ -0.0000388800000000, -0.0383495000000000, 0.0000000000000000 ] - [ 0.0000464100000000, -0.0383744800000000, 0.0000000000000000 ] - [ -0.0001176100000000, -0.0383602000000000, 0.0000000000000000 ] - [ 0.0000613600000000, -0.0385494200000000, 0.0000000000000000 ] - [ 0.0001463800000000, -0.0381741100000000, 0.0000000000000000 ] - [ -0.0000051100000000, -0.0383602100000000, 0.0000001600000000 ] - [ -0.0000386500000000, -0.0383353800000000, -0.0000044000000000 ] - [ 0.0000469000000000, -0.0383886100000000, 0.0000044700000000 ] - [ -0.0015946400000000, -0.0383523700000000, 0.0000053200000000 ] - [ 0.0005209100000000, -0.0387155400000000, -0.0003187300000000 ] - [ 0.0006048600000000, -0.0380096000000000, 0.0003164200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0489416400000000, 0.0000000000000000 ] - [ -0.0002796200000000, 0.0390849500000000, 0.0000000000000000 ] - [ 0.0002796200000000, 0.0390849500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0384690900000000, 0.0000000000000000 ] - [ 0.0000928500000000, 0.0385884000000000, 0.0000000000000000 ] - [ -0.0000928500000000, 0.0385884000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0390662800000000, -0.0002352200000000 ] - [ -0.0002319900000000, 0.0390895200000000, -0.0003027400000000 ] - [ 0.0002319900000000, 0.0390895200000000, -0.0003027400000000 ] - [ 0.0000000000000000, 0.0386448900000000, 0.0000505500000000 ] - [ 0.0000309700000000, 0.0386573900000000, 0.0000357000000000 ] - [ -0.0000309700000000, 0.0386573900000000, 0.0000357000000000 ] - [ 0.0000000000000000, 0.0390662800000000, 0.0002352200000000 ] - [ -0.0002319900000000, 0.0390895200000000, 0.0003027400000000 ] - [ 0.0002319900000000, 0.0390895200000000, 0.0003027400000000 ] - [ 0.0000000000000000, 0.0386448900000000, -0.0000505500000000 ] - [ 0.0000309700000000, 0.0386573900000000, -0.0000357000000000 ] - [ -0.0000309700000000, 0.0386573900000000, -0.0000357000000000 ] - [ 0.0008483700000000, -0.0382257500000000, 0.0009730900000000 ] - [ 0.0000000000000000, -0.0385508500000000, -0.0000183600000000 ] - [ -0.0008483700000000, -0.0382257500000000, 0.0009730900000000 ] - [ -0.0000273600000000, -0.0390859700000000, -0.0000097100000000 ] - [ 0.0000000000000000, -0.0390281100000000, -0.0000036700000000 ] - [ 0.0000273600000000, -0.0390859700000000, -0.0000097100000000 ] - [ -0.0000690600000000, -0.0386017000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0387875800000000, 0.0000000000000000 ] - [ 0.0000690600000000, -0.0386017000000000, 0.0000000000000000 ] - [ -0.0000131700000000, -0.0389999400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0390053200000000, 0.0000000000000000 ] - [ 0.0000131700000000, -0.0389999400000000, 0.0000000000000000 ] - [ 0.0008483700000000, -0.0382257500000000, -0.0009730900000000 ] - [ 0.0000000000000000, -0.0385508500000000, 0.0000183600000000 ] - [ -0.0008483700000000, -0.0382257500000000, -0.0009730900000000 ] - [ -0.0000273600000000, -0.0390859700000000, 0.0000097100000000 ] - [ 0.0000000000000000, -0.0390281100000000, 0.0000036700000000 ] - [ 0.0000273600000000, -0.0390859700000000, 0.0000097100000000 ] - [ -0.0000090400000000, 0.0383685300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0386770800000000, 0.0000000000000000 ] - [ 0.0000090400000000, 0.0383685300000000, 0.0000000000000000 ] - [ -0.0001830800000000, 0.0392729100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0389684000000000, 0.0000000000000000 ] - [ 0.0001830800000000, 0.0392729100000000, 0.0000000000000000 ] - [ -0.0000372100000000, 0.0386654000000000, -0.0000277500000000 ] - [ 0.0000000000000000, 0.0387005600000000, -0.0000145200000000 ] - [ 0.0000372100000000, 0.0386654000000000, -0.0000277500000000 ] - [ 0.0003639100000000, 0.0389542500000000, 0.0003983700000000 ] - [ 0.0000000000000000, 0.0388770100000000, 0.0001302600000000 ] - [ -0.0003639100000000, 0.0389542500000000, 0.0003983700000000 ] - [ -0.0000372100000000, 0.0386654000000000, 0.0000277500000000 ] - [ 0.0000000000000000, 0.0387005600000000, 0.0000145200000000 ] - [ 0.0000372100000000, 0.0386654000000000, 0.0000277500000000 ] - [ 0.0003639100000000, 0.0389542500000000, -0.0003983700000000 ] - [ 0.0000000000000000, 0.0388770100000000, -0.0001302600000000 ] - [ -0.0003639100000000, 0.0389542500000000, -0.0003983700000000 ] - [ 0.0000000000000000, -0.0392479500000000, -0.0002336400000000 ] - [ -0.0001395300000000, -0.0389910100000000, -0.0001408800000000 ] - [ 0.0001395300000000, -0.0389910100000000, -0.0001408800000000 ] - [ 0.0000000000000000, -0.0394888400000000, 0.0001148700000000 ] - [ 0.0001252400000000, -0.0388785700000000, 0.0001212100000000 ] - [ -0.0001252400000000, -0.0388785700000000, 0.0001212100000000 ] - [ 0.0000000000000000, -0.0389161900000000, 0.0000000000000000 ] - [ 0.0000049100000000, -0.0389307100000000, 0.0000000000000000 ] - [ -0.0000049100000000, -0.0389307100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0388313100000000, 0.0000000000000000 ] - [ 0.0000573600000000, -0.0388423600000000, 0.0000000000000000 ] - [ -0.0000573600000000, -0.0388423600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0392479500000000, 0.0002336400000000 ] - [ -0.0001395300000000, -0.0389910100000000, 0.0001408800000000 ] - [ 0.0001395300000000, -0.0389910100000000, 0.0001408800000000 ] - [ 0.0000000000000000, -0.0394888400000000, -0.0001148700000000 ] - [ 0.0001252400000000, -0.0388785700000000, -0.0001212100000000 ] - [ -0.0001252400000000, -0.0388785700000000, -0.0001212100000000 ] - [ 0.0000000000000000, 0.0215576100000000, 0.0000000000000000 ] - [ -0.0000462200000000, 0.0376699000000000, 0.0000000000000000 ] - [ 0.0000462200000000, 0.0376699000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0386612500000000, 0.0000000000000000 ] - [ -0.0000184800000000, 0.0385956600000000, 0.0000000000000000 ] - [ 0.0000184800000000, 0.0385956600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0378549700000000, 0.0001073600000000 ] - [ -0.0000148600000000, 0.0381215400000000, 0.0000457300000000 ] - [ 0.0000148600000000, 0.0381215400000000, 0.0000457300000000 ] - [ 0.0000000000000000, 0.0385619800000000, 0.0000128700000000 ] - [ -0.0000368400000000, 0.0385459000000000, 0.0000058000000000 ] - [ 0.0000368400000000, 0.0385459000000000, 0.0000058000000000 ] - [ 0.0000000000000000, 0.0378549700000000, -0.0001073600000000 ] - [ -0.0000148600000000, 0.0381215400000000, -0.0000457300000000 ] - [ 0.0000148600000000, 0.0381215400000000, -0.0000457300000000 ] - [ 0.0000000000000000, 0.0385619800000000, -0.0000128700000000 ] - [ -0.0000368400000000, 0.0385459000000000, -0.0000058000000000 ] - [ 0.0000368400000000, 0.0385459000000000, -0.0000058000000000 ] - [ 0.0011872400000000, -0.0382246600000000, 0.0012324900000000 ] - [ 0.0000000000000000, -0.0385157800000000, 0.0000871200000000 ] - [ -0.0011872400000000, -0.0382246600000000, 0.0012324900000000 ] - [ -0.0000268300000000, -0.0380760100000000, -0.0000887900000000 ] - [ 0.0000000000000000, -0.0381740500000000, -0.0000267000000000 ] - [ 0.0000268300000000, -0.0380760100000000, -0.0000887900000000 ] - [ 0.0000600100000000, -0.0385070900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0384842300000000, 0.0000000000000000 ] - [ -0.0000600100000000, -0.0385070900000000, 0.0000000000000000 ] - [ 0.0000364400000000, -0.0382073200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0381972500000000, 0.0000000000000000 ] - [ -0.0000364400000000, -0.0382073200000000, 0.0000000000000000 ] - [ 0.0011872400000000, -0.0382246600000000, -0.0012324900000000 ] - [ 0.0000000000000000, -0.0385157800000000, -0.0000871200000000 ] - [ -0.0011872400000000, -0.0382246600000000, -0.0012324900000000 ] - [ -0.0000268300000000, -0.0380760100000000, 0.0000887900000000 ] - [ 0.0000000000000000, -0.0381740500000000, 0.0000267000000000 ] - [ 0.0000268300000000, -0.0380760100000000, 0.0000887900000000 ] - [ 0.0006365000000000, 0.0391074400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0384502400000000, 0.0000000000000000 ] - [ -0.0006365000000000, 0.0391074400000000, 0.0000000000000000 ] - [ -0.0000399800000000, 0.0391053700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0384502900000000, 0.0000000000000000 ] - [ 0.0000399800000000, 0.0391053700000000, 0.0000000000000000 ] - [ 0.0000950000000000, 0.0384668600000000, 0.0001482900000000 ] - [ 0.0000000000000000, 0.0384279500000000, 0.0000358200000000 ] - [ -0.0000950000000000, 0.0384668600000000, 0.0001482900000000 ] - [ -0.0000198900000000, 0.0384668600000000, -0.0001247800000000 ] - [ 0.0000000000000000, 0.0384283800000000, -0.0000521100000000 ] - [ 0.0000198900000000, 0.0384668600000000, -0.0001247800000000 ] - [ 0.0000950000000000, 0.0384668600000000, -0.0001482900000000 ] - [ 0.0000000000000000, 0.0384279500000000, -0.0000358200000000 ] - [ -0.0000950000000000, 0.0384668600000000, -0.0001482900000000 ] - [ -0.0000198900000000, 0.0384668600000000, 0.0001247800000000 ] - [ 0.0000000000000000, 0.0384283800000000, 0.0000521100000000 ] - [ 0.0000198900000000, 0.0384668600000000, 0.0001247800000000 ] - [ 0.0000000000000000, -0.0380342800000000, 0.0000446500000000 ] - [ -0.0000160300000000, -0.0381593100000000, 0.0000258700000000 ] - [ 0.0000160300000000, -0.0381593100000000, 0.0000258700000000 ] - [ 0.0000000000000000, -0.0364057600000000, -0.0030229900000000 ] - [ -0.0003945500000000, -0.0386911900000000, -0.0004166100000000 ] - [ 0.0003945500000000, -0.0386911900000000, -0.0004166100000000 ] - [ 0.0000000000000000, -0.0382026400000000, 0.0000000000000000 ] - [ -0.0000301500000000, -0.0381969500000000, 0.0000000000000000 ] - [ 0.0000301500000000, -0.0381969500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0385228900000000, 0.0000000000000000 ] - [ -0.0002293600000000, -0.0385080900000000, 0.0000000000000000 ] - [ 0.0002293600000000, -0.0385080900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0380342800000000, -0.0000446500000000 ] - [ -0.0000160300000000, -0.0381593100000000, -0.0000258700000000 ] - [ 0.0000160300000000, -0.0381593100000000, -0.0000258700000000 ] - [ 0.0000000000000000, -0.0364057600000000, 0.0030229900000000 ] - [ -0.0003945500000000, -0.0386911900000000, 0.0004166100000000 ] - [ 0.0003945500000000, -0.0386911900000000, 0.0004166100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0292497100000000, 0.0000000000000000 ] - [ 0.0003064300000000, 0.0385770300000000, 0.0000000000000000 ] - [ -0.0003064300000000, 0.0385770300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0392001800000000, 0.0000000000000000 ] - [ -0.0000652200000000, 0.0390733200000000, 0.0000000000000000 ] - [ 0.0000652200000000, 0.0390733200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0386042400000000, 0.0002343600000000 ] - [ 0.0002581500000000, 0.0385724400000000, 0.0003005100000000 ] - [ -0.0002581500000000, 0.0385724400000000, 0.0003005100000000 ] - [ 0.0000000000000000, 0.0390245900000000, -0.0000508300000000 ] - [ -0.0000030400000000, 0.0390039200000000, -0.0000357700000000 ] - [ 0.0000030400000000, 0.0390039200000000, -0.0000357700000000 ] - [ 0.0000000000000000, 0.0386042400000000, -0.0002343600000000 ] - [ 0.0002581500000000, 0.0385724400000000, -0.0003005100000000 ] - [ -0.0002581500000000, 0.0385724400000000, -0.0003005100000000 ] - [ 0.0000000000000000, 0.0390245900000000, 0.0000508300000000 ] - [ -0.0000030400000000, 0.0390039200000000, 0.0000357700000000 ] - [ 0.0000030400000000, 0.0390039200000000, 0.0000357700000000 ] - [ -0.0008795300000000, -0.0394410400000000, -0.0009744400000000 ] - [ 0.0000000000000000, -0.0391184400000000, 0.0000194200000000 ] - [ 0.0008795300000000, -0.0394410400000000, -0.0009744400000000 ] - [ -0.0000006000000000, -0.0385746800000000, 0.0000097000000000 ] - [ 0.0000000000000000, -0.0386408400000000, 0.0000035400000000 ] - [ 0.0000006000000000, -0.0385746800000000, 0.0000097000000000 ] - [ 0.0000419800000000, -0.0390592300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0388776800000000, 0.0000000000000000 ] - [ -0.0000419800000000, -0.0390592300000000, 0.0000000000000000 ] - [ -0.0000148300000000, -0.0386609500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0386635000000000, 0.0000000000000000 ] - [ 0.0000148300000000, -0.0386609500000000, 0.0000000000000000 ] - [ -0.0008795300000000, -0.0394410400000000, 0.0009744400000000 ] - [ 0.0000000000000000, -0.0391184400000000, -0.0000194200000000 ] - [ 0.0008795300000000, -0.0394410400000000, 0.0009744400000000 ] - [ -0.0000006000000000, -0.0385746800000000, -0.0000097000000000 ] - [ 0.0000000000000000, -0.0386408400000000, -0.0000035400000000 ] - [ 0.0000006000000000, -0.0385746800000000, -0.0000097000000000 ] - [ -0.0000193500000000, 0.0392928500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0389921500000000, 0.0000000000000000 ] - [ 0.0000193500000000, 0.0392928500000000, 0.0000000000000000 ] - [ 0.0001854700000000, 0.0383473100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0386993600000000, 0.0000000000000000 ] - [ -0.0001854700000000, 0.0383473100000000, 0.0000000000000000 ] - [ 0.0000091600000000, 0.0389959900000000, 0.0000277200000000 ] - [ 0.0000000000000000, 0.0389689100000000, 0.0000144200000000 ] - [ -0.0000091600000000, 0.0389959900000000, 0.0000277200000000 ] - [ -0.0003955500000000, 0.0387059100000000, -0.0004016200000000 ] - [ 0.0000000000000000, 0.0387913700000000, -0.0001320500000000 ] - [ 0.0003955500000000, 0.0387059100000000, -0.0004016200000000 ] - [ 0.0000091600000000, 0.0389959900000000, -0.0000277200000000 ] - [ 0.0000000000000000, 0.0389689100000000, -0.0000144200000000 ] - [ -0.0000091600000000, 0.0389959900000000, -0.0000277200000000 ] - [ -0.0003955500000000, 0.0387059100000000, 0.0004016200000000 ] - [ 0.0000000000000000, 0.0387913700000000, 0.0001320500000000 ] - [ 0.0003955500000000, 0.0387059100000000, 0.0004016200000000 ] - [ 0.0000000000000000, -0.0384195800000000, 0.0002339800000000 ] - [ 0.0001673400000000, -0.0386704800000000, 0.0001409100000000 ] - [ -0.0001673400000000, -0.0386704800000000, 0.0001409100000000 ] - [ 0.0000000000000000, -0.0381780800000000, -0.0001161900000000 ] - [ -0.0000977000000000, -0.0387833100000000, -0.0001216700000000 ] - [ 0.0000977000000000, -0.0387833100000000, -0.0001216700000000 ] - [ 0.0000000000000000, -0.0387526800000000, 0.0000000000000000 ] - [ 0.0000227600000000, -0.0387299200000000, 0.0000000000000000 ] - [ -0.0000227600000000, -0.0387299200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0388384000000000, 0.0000000000000000 ] - [ -0.0000296000000000, -0.0388194500000000, 0.0000000000000000 ] - [ 0.0000296000000000, -0.0388194500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0384195800000000, -0.0002339800000000 ] - [ 0.0001673400000000, -0.0386704800000000, -0.0001409100000000 ] - [ -0.0001673400000000, -0.0386704800000000, -0.0001409100000000 ] - [ 0.0000000000000000, -0.0381780800000000, 0.0001161900000000 ] - [ -0.0000977000000000, -0.0387833100000000, 0.0001216700000000 ] - [ 0.0000977000000000, -0.0387833100000000, 0.0001216700000000 ] - [ 0.0000000000000000, 0.0547626700000000, 0.0000000000000000 ] - [ -0.0000452500000000, 0.0390493900000000, 0.0000000000000000 ] - [ 0.0000452500000000, 0.0390493900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0380517400000000, 0.0000000000000000 ] - [ -0.0000668200000000, 0.0381217200000000, 0.0000000000000000 ] - [ 0.0000668200000000, 0.0381217200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0388601000000000, -0.0001124700000000 ] - [ -0.0000741600000000, 0.0385961700000000, -0.0000497100000000 ] - [ 0.0000741600000000, 0.0385961700000000, -0.0000497100000000 ] - [ 0.0000000000000000, 0.0381508400000000, -0.0000128900000000 ] - [ -0.0000483800000000, 0.0381715300000000, -0.0000057000000000 ] - [ 0.0000483800000000, 0.0381715300000000, -0.0000057000000000 ] - [ 0.0000000000000000, 0.0388601000000000, 0.0001124700000000 ] - [ -0.0000741600000000, 0.0385961700000000, 0.0000497100000000 ] - [ 0.0000741600000000, 0.0385961700000000, 0.0000497100000000 ] - [ 0.0000000000000000, 0.0381508400000000, 0.0000128900000000 ] - [ -0.0000483800000000, 0.0381715300000000, 0.0000057000000000 ] - [ 0.0000483800000000, 0.0381715300000000, 0.0000057000000000 ] - [ -0.0010947200000000, -0.0384951900000000, -0.0012247500000000 ] - [ 0.0000000000000000, -0.0381985100000000, -0.0000865300000000 ] - [ 0.0010947200000000, -0.0384951900000000, -0.0012247500000000 ] - [ 0.0001124800000000, -0.0386422700000000, 0.0000889600000000 ] - [ 0.0000000000000000, -0.0385393100000000, 0.0000267700000000 ] - [ -0.0001124800000000, -0.0386422700000000, 0.0000889600000000 ] - [ 0.0000253500000000, -0.0382116100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0382308500000000, 0.0000000000000000 ] - [ -0.0000253500000000, -0.0382116100000000, 0.0000000000000000 ] - [ 0.0000489000000000, -0.0385103400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0385156800000000, 0.0000000000000000 ] - [ -0.0000489000000000, -0.0385103400000000, 0.0000000000000000 ] - [ -0.0010947200000000, -0.0384951900000000, 0.0012247500000000 ] - [ 0.0000000000000000, -0.0381985100000000, 0.0000865300000000 ] - [ 0.0010947200000000, -0.0384951900000000, 0.0012247500000000 ] - [ 0.0001124800000000, -0.0386422700000000, -0.0000889600000000 ] - [ 0.0000000000000000, -0.0385393100000000, -0.0000267700000000 ] - [ -0.0001124800000000, -0.0386422700000000, -0.0000889600000000 ] - [ -0.0005522000000000, 0.0376108300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0382629000000000, 0.0000000000000000 ] - [ 0.0005522000000000, 0.0376108300000000, 0.0000000000000000 ] - [ 0.0001258200000000, 0.0376086700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0382628200000000, 0.0000000000000000 ] - [ -0.0001258200000000, 0.0376086700000000, 0.0000000000000000 ] - [ -0.0000097400000000, 0.0382508300000000, -0.0001479900000000 ] - [ 0.0000000000000000, 0.0382848300000000, -0.0000355700000000 ] - [ 0.0000097400000000, 0.0382508300000000, -0.0001479900000000 ] - [ 0.0001055800000000, 0.0382507100000000, 0.0001254100000000 ] - [ 0.0000000000000000, 0.0382850900000000, 0.0000526600000000 ] - [ -0.0001055800000000, 0.0382507100000000, 0.0001254100000000 ] - [ -0.0000097400000000, 0.0382508300000000, 0.0001479900000000 ] - [ 0.0000000000000000, 0.0382848300000000, 0.0000355700000000 ] - [ 0.0000097400000000, 0.0382508300000000, 0.0001479900000000 ] - [ 0.0001055800000000, 0.0382507100000000, -0.0001254100000000 ] - [ 0.0000000000000000, 0.0382850900000000, -0.0000526600000000 ] - [ -0.0001055800000000, 0.0382507100000000, -0.0001254100000000 ] - [ 0.0000000000000000, -0.0386793600000000, -0.0000449000000000 ] - [ -0.0000692600000000, -0.0385585100000000, -0.0000257800000000 ] - [ 0.0000692600000000, -0.0385585100000000, -0.0000257800000000 ] - [ 0.0000000000000000, -0.0403275800000000, 0.0030689900000000 ] - [ 0.0003114600000000, -0.0380228800000000, 0.0004196600000000 ] - [ -0.0003114600000000, -0.0380228800000000, 0.0004196600000000 ] - [ 0.0000000000000000, -0.0385106500000000, 0.0000000000000000 ] - [ -0.0000550600000000, -0.0385209100000000, 0.0000000000000000 ] - [ 0.0000550600000000, -0.0385209100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0381886100000000, 0.0000000000000000 ] - [ 0.0001459700000000, -0.0382069800000000, 0.0000000000000000 ] - [ -0.0001459700000000, -0.0382069800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0386793600000000, 0.0000449000000000 ] - [ -0.0000692600000000, -0.0385585100000000, 0.0000257800000000 ] - [ 0.0000692600000000, -0.0385585100000000, 0.0000257800000000 ] - [ 0.0000000000000000, -0.0403275800000000, -0.0030689900000000 ] - [ 0.0003114600000000, -0.0380228800000000, -0.0004196600000000 ] - [ -0.0003114600000000, -0.0380228800000000, -0.0004196600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0388208600000000, 0.0004238400000000 ] - [ 0.0000139600000000, 0.0388300800000000, 0.0003003600000000 ] - [ -0.0000139600000000, 0.0388300800000000, 0.0003003600000000 ] - [ 0.0000000000000000, 0.0388336300000000, 0.0000647700000000 ] - [ 0.0000140700000000, 0.0388300400000000, 0.0000614100000000 ] - [ -0.0000140700000000, 0.0388300400000000, 0.0000614100000000 ] - [ 0.0000000000000000, 0.0385471500000000, -0.0002609100000000 ] - [ -0.0000851400000000, 0.0386477300000000, -0.0002027700000000 ] - [ 0.0000851400000000, 0.0386477300000000, -0.0002027700000000 ] - [ 0.0000000000000000, 0.0388896000000000, -0.0000401200000000 ] - [ -0.0000069900000000, 0.0388561000000000, -0.0000339000000000 ] - [ 0.0000069900000000, 0.0388561000000000, -0.0000339000000000 ] - [ 0.0000000000000000, 0.0391200200000000, -0.0002602100000000 ] - [ 0.0001138200000000, 0.0390126100000000, -0.0002034200000000 ] - [ -0.0001138200000000, 0.0390126100000000, -0.0002034200000000 ] - [ 0.0000000000000000, 0.0387791400000000, -0.0000400900000000 ] - [ 0.0000349300000000, 0.0388045500000000, -0.0000340500000000 ] - [ -0.0000349300000000, 0.0388045500000000, -0.0000340500000000 ] - [ 0.0022911400000000, -0.0381485900000000, 0.0027933700000000 ] - [ 0.0000000000000000, -0.0387612200000000, 0.0002726200000000 ] - [ -0.0022911400000000, -0.0381485900000000, 0.0027933700000000 ] - [ -0.0000096300000000, -0.0388018300000000, 0.0000144500000000 ] - [ 0.0000000000000000, -0.0388203900000000, 0.0000093100000000 ] - [ 0.0000096300000000, -0.0388018300000000, 0.0000144500000000 ] - [ -0.0000153600000000, -0.0388307400000000, -0.0007131100000000 ] - [ 0.0000000000000000, -0.0388321500000000, -0.0011020800000000 ] - [ 0.0000153600000000, -0.0388307400000000, -0.0007131100000000 ] - [ -0.0000140100000000, -0.0388301600000000, -0.0000250900000000 ] - [ 0.0000000000000000, -0.0388342000000000, -0.0000230400000000 ] - [ 0.0000140100000000, -0.0388301600000000, -0.0000250900000000 ] - [ -0.0022081900000000, -0.0394861800000000, 0.0026830500000000 ] - [ 0.0000000000000000, -0.0389076500000000, 0.0002746200000000 ] - [ 0.0022081900000000, -0.0394861800000000, 0.0026830500000000 ] - [ -0.0000184900000000, -0.0388587800000000, 0.0000143500000000 ] - [ 0.0000000000000000, -0.0388482000000000, 0.0000092100000000 ] - [ 0.0000184900000000, -0.0388587800000000, 0.0000143500000000 ] - [ -0.0000140400000000, 0.0388308000000000, 0.0000137900000000 ] - [ 0.0000000000000000, 0.0388341000000000, 0.0000346800000000 ] - [ 0.0000140400000000, 0.0388308000000000, 0.0000137900000000 ] - [ -0.0000127400000000, 0.0388256800000000, 0.0004471200000000 ] - [ 0.0000000000000000, 0.0388349700000000, 0.0002933700000000 ] - [ 0.0000127400000000, 0.0388256800000000, 0.0004471200000000 ] - [ -0.0000168700000000, 0.0387809400000000, -0.0000141200000000 ] - [ 0.0000000000000000, 0.0388021500000000, -0.0000153300000000 ] - [ 0.0000168700000000, 0.0387809400000000, -0.0000141200000000 ] - [ -0.0002858200000000, 0.0390527100000000, -0.0004720000000000 ] - [ 0.0000000000000000, 0.0389579700000000, -0.0001510400000000 ] - [ 0.0002858200000000, 0.0390527100000000, -0.0004720000000000 ] - [ -0.0000111100000000, 0.0388794500000000, -0.0000142100000000 ] - [ 0.0000000000000000, 0.0388663700000000, -0.0000155000000000 ] - [ 0.0000111100000000, 0.0388794500000000, -0.0000142100000000 ] - [ 0.0002573200000000, 0.0386096700000000, -0.0004705400000000 ] - [ 0.0000000000000000, 0.0387103600000000, -0.0001513900000000 ] - [ -0.0002573200000000, 0.0386096700000000, -0.0004705400000000 ] - [ 0.0000000000000000, -0.0390034900000000, 0.0000704000000000 ] - [ -0.0000214700000000, -0.0388981500000000, 0.0000574000000000 ] - [ 0.0000214700000000, -0.0388981500000000, 0.0000574000000000 ] - [ 0.0000000000000000, -0.0378923900000000, 0.0000854300000000 ] - [ 0.0000131000000000, -0.0386427500000000, 0.0000390800000000 ] - [ -0.0000131000000000, -0.0386427500000000, 0.0000390800000000 ] - [ 0.0000000000000000, -0.0388345500000000, -0.0001220100000000 ] - [ 0.0000138400000000, -0.0388303700000000, -0.0001036700000000 ] - [ -0.0000138400000000, -0.0388303700000000, -0.0001036700000000 ] - [ 0.0000000000000000, -0.0388338900000000, -0.0001111000000000 ] - [ 0.0000137000000000, -0.0388304000000000, -0.0001131200000000 ] - [ -0.0000137000000000, -0.0388304000000000, -0.0001131200000000 ] - [ 0.0000000000000000, -0.0386651500000000, 0.0000694400000000 ] - [ 0.0000496000000000, -0.0387630000000000, 0.0000570000000000 ] - [ -0.0000496000000000, -0.0387630000000000, 0.0000570000000000 ] - [ 0.0000000000000000, -0.0397701800000000, 0.0000847500000000 ] - [ 0.0000155100000000, -0.0390171700000000, 0.0000383900000000 ] - [ -0.0000155100000000, -0.0390171700000000, 0.0000383900000000 ] - [ 0.0000000000000000, 0.0383538700000000, -0.0151861200000000 ] - [ -0.0000433700000000, 0.0383578100000000, -0.0014541100000000 ] - [ 0.0000433700000000, 0.0383578100000000, -0.0014541100000000 ] - [ 0.0000000000000000, 0.0383564700000000, -0.0000269300000000 ] - [ -0.0000426800000000, 0.0383586300000000, -0.0000243300000000 ] - [ 0.0000426800000000, 0.0383586300000000, -0.0000243300000000 ] - [ 0.0000000000000000, 0.0382461700000000, 0.0015379500000000 ] - [ 0.0006236800000000, 0.0383097900000000, 0.0008928000000000 ] - [ -0.0006236800000000, 0.0383097900000000, 0.0008928000000000 ] - [ 0.0000000000000000, 0.0383433600000000, 0.0000188700000000 ] - [ -0.0000385400000000, 0.0383526800000000, 0.0000142100000000 ] - [ 0.0000385400000000, 0.0383526800000000, 0.0000142100000000 ] - [ 0.0000000000000000, 0.0384659800000000, 0.0015296800000000 ] - [ -0.0007095900000000, 0.0384052400000000, 0.0008915600000000 ] - [ 0.0007095900000000, 0.0384052400000000, 0.0008915600000000 ] - [ 0.0000000000000000, 0.0383692100000000, 0.0000189400000000 ] - [ -0.0000467300000000, 0.0383643500000000, 0.0000141700000000 ] - [ 0.0000467300000000, 0.0383643500000000, 0.0000141700000000 ] - [ 0.0001254300000000, -0.0371277200000000, -0.0000980400000000 ] - [ 0.0000000000000000, -0.0382690300000000, -0.0001120200000000 ] - [ -0.0001254300000000, -0.0371277200000000, -0.0000980400000000 ] - [ 0.0000997100000000, -0.0384475000000000, -0.0000358400000000 ] - [ 0.0000000000000000, -0.0383830300000000, -0.0000202000000000 ] - [ -0.0000997100000000, -0.0384475000000000, -0.0000358400000000 ] - [ 0.0000430900000000, -0.0383581700000000, 0.0003146100000000 ] - [ 0.0000000000000000, -0.0383571600000000, 0.0002854500000000 ] - [ -0.0000430900000000, -0.0383581700000000, 0.0003146100000000 ] - [ 0.0000427300000000, -0.0383585800000000, 0.0000769100000000 ] - [ 0.0000000000000000, -0.0383562700000000, 0.0000523200000000 ] - [ -0.0000427300000000, -0.0383585800000000, 0.0000769100000000 ] - [ -0.0000421600000000, -0.0395850200000000, -0.0000948200000000 ] - [ 0.0000000000000000, -0.0384427200000000, -0.0001124000000000 ] - [ 0.0000421600000000, -0.0395850200000000, -0.0000948200000000 ] - [ -0.0000141200000000, -0.0382696200000000, -0.0000351200000000 ] - [ 0.0000000000000000, -0.0383294200000000, -0.0000200200000000 ] - [ 0.0000141200000000, -0.0382696200000000, -0.0000351200000000 ] - [ 0.0000412400000000, 0.0383573800000000, -0.0001712300000000 ] - [ 0.0000000000000000, 0.0383565800000000, -0.0000875300000000 ] - [ -0.0000412400000000, 0.0383573800000000, -0.0001712300000000 ] - [ 0.0000433200000000, 0.0383608400000000, -0.0001712000000000 ] - [ 0.0000000000000000, 0.0383561700000000, -0.0000874900000000 ] - [ -0.0000433200000000, 0.0383608400000000, -0.0001712000000000 ] - [ 0.0000717800000000, 0.0384839000000000, 0.0001044900000000 ] - [ 0.0000000000000000, 0.0384088500000000, 0.0000363300000000 ] - [ -0.0000717800000000, 0.0384839000000000, 0.0001044900000000 ] - [ 0.0000989600000000, 0.0382100200000000, 0.0001045800000000 ] - [ 0.0000000000000000, 0.0383206700000000, 0.0000362200000000 ] - [ -0.0000989600000000, 0.0382100200000000, 0.0001045800000000 ] - [ 0.0000135800000000, 0.0382337600000000, 0.0001046100000000 ] - [ 0.0000000000000000, 0.0383040400000000, 0.0000362200000000 ] - [ -0.0000135800000000, 0.0382337600000000, 0.0001046100000000 ] - [ -0.0000132600000000, 0.0385063500000000, 0.0001045600000000 ] - [ 0.0000000000000000, 0.0383920600000000, 0.0000363900000000 ] - [ 0.0000132600000000, 0.0385063500000000, 0.0001045600000000 ] - [ 0.0000000000000000, -0.0383116100000000, -0.0000172100000000 ] - [ -0.0000382300000000, -0.0383326100000000, -0.0000099800000000 ] - [ 0.0000382300000000, -0.0383326100000000, -0.0000099800000000 ] - [ 0.0000000000000000, -0.0414210700000000, 0.0013084200000000 ] - [ 0.0002746100000000, -0.0387778100000000, -0.0001573300000000 ] - [ -0.0002746100000000, -0.0387778100000000, -0.0001573300000000 ] - [ 0.0000000000000000, -0.0383562100000000, 0.0000379300000000 ] - [ -0.0000425800000000, -0.0383584900000000, 0.0000265100000000 ] - [ 0.0000425800000000, -0.0383584900000000, 0.0000265100000000 ] - [ 0.0000000000000000, -0.0383568000000000, 0.0005070100000000 ] - [ -0.0000421200000000, -0.0383580400000000, 0.0004211600000000 ] - [ 0.0000421200000000, -0.0383580400000000, 0.0004211600000000 ] - [ 0.0000000000000000, -0.0384011500000000, -0.0000170100000000 ] - [ -0.0000470800000000, -0.0383842500000000, -0.0000099900000000 ] - [ 0.0000470800000000, -0.0383842500000000, -0.0000099900000000 ] - [ 0.0000000000000000, -0.0353290400000000, 0.0013006700000000 ] - [ -0.0003605800000000, -0.0379415900000000, -0.0001555100000000 ] - [ 0.0003605800000000, -0.0379415900000000, -0.0001555100000000 ]