# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/43be8267-5637-4dc8-b87b-9ceb069354d0/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 Th2TeN2 / I4/mmm (139) / materials id 7523](https://mdr.nims.go.jp/datasets/74356fa8-5b59-452d-ba97-99dd0216b289) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.032790755000000, 2.032790755000000, 6.453358935000000 ] # a - [ 2.032790755000000, -2.032790755000000, 6.453358935000000 ] # b - [ 2.032790755000000, 2.032790755000000, -6.453358935000000 ] # c points: - symbol: N # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: Te # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 - symbol: Th # 4 coordinates: [ 0.338158620000000, 0.338158620000000, 0.000000000000000 ] mass: 232.038060 - symbol: Th # 5 coordinates: [ 0.661841380000000, 0.661841380000000, 0.000000000000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.245967273695123, 0.077479031468130 ] # a* - [ 0.245967273695123, 0.000000000000000, 0.077479031468130 ] # b* - [ 0.245967273695123, 0.245967273695123, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.065581510000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.065581510000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.906717870000000 ] # c points: - symbol: N # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 2 - symbol: N # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 2 - symbol: Te # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 5 - symbol: Th # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.338158620000000 ] mass: 232.038060 reduced_to: 7 - symbol: Th # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.161841380000000 ] mass: 232.038060 reduced_to: 8 - symbol: Th # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.838158620000000 ] mass: 232.038060 reduced_to: 7 - symbol: Th # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.661841380000000 ] mass: 232.038060 reduced_to: 8supercell: lattice: - [ 12.196744530000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.196744530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.906717870000000 ] # c points: - symbol: N # 1 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 4 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 5 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 6 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 7 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 8 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 9 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 10 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 11 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 12 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 14 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 15 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 16 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 17 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 18 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 19 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 20 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 21 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 23 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 24 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 25 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 26 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 27 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 1 - symbol: N # 28 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 30 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 31 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 32 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 33 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 34 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 35 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 36 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 14.006700 reduced_to: 10 - symbol: Te # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 46 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 47 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 48 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 49 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 50 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 51 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 52 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 53 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 54 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Th # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.338158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 64 coordinates: [ 0.166666666666667, 0.166666666666667, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 65 coordinates: [ 0.500000000000000, 0.166666666666667, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 66 coordinates: [ 0.833333333333333, 0.166666666666667, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 67 coordinates: [ 0.166666666666667, 0.500000000000000, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 69 coordinates: [ 0.833333333333333, 0.500000000000000, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 70 coordinates: [ 0.166666666666667, 0.833333333333333, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 71 coordinates: [ 0.500000000000000, 0.833333333333333, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 72 coordinates: [ 0.833333333333333, 0.833333333333333, 0.161841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 73 coordinates: [ 0.166666666666667, 0.166666666666667, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 74 coordinates: [ 0.500000000000000, 0.166666666666667, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 75 coordinates: [ 0.833333333333333, 0.166666666666667, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 76 coordinates: [ 0.166666666666667, 0.500000000000000, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 77 coordinates: [ 0.500000000000000, 0.500000000000000, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 78 coordinates: [ 0.833333333333333, 0.500000000000000, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 79 coordinates: [ 0.166666666666667, 0.833333333333333, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 80 coordinates: [ 0.500000000000000, 0.833333333333333, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 81 coordinates: [ 0.833333333333333, 0.833333333333333, 0.838158620000000 ] mass: 232.038060 reduced_to: 55 - symbol: Th # 82 coordinates: [ 0.000000000000000, 0.000000000000000, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 83 coordinates: [ 0.333333333333333, 0.000000000000000, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 84 coordinates: [ 0.666666666666667, 0.000000000000000, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 85 coordinates: [ 0.000000000000000, 0.333333333333333, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 86 coordinates: [ 0.333333333333333, 0.333333333333333, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 87 coordinates: [ 0.666666666666667, 0.333333333333333, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 88 coordinates: [ 0.000000000000000, 0.666666666666667, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 89 coordinates: [ 0.333333333333333, 0.666666666666667, 0.661841380000000 ] mass: 232.038060 reduced_to: 64 - symbol: Th # 90 coordinates: [ 0.666666666666667, 0.666666666666667, 0.661841380000000 ] mass: 232.038060 reduced_to: 64born_effective_charge:- # 1 (N) - [ -4.552089990000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -4.552089990000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.602456190000000 ]- # 2 (N) - [ -4.552089990000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -4.552089990000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.602456190000000 ]- # 3 (Te) - [ -3.657417960000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.657417960000001, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.249935360000000 ]- # 4 (Th) - [ 6.380798970000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 6.380798970000001, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.727423870000000 ]- # 5 (Th) - [ 6.380798970000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 6.380798970000002, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.727423870000000 ]dielectric_constant: - [ 11.907369490000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 11.907369490000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.859367410000001 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1364755800000000, 0.0000000000000000, -0.0012195600000000 ] - [ 0.0122710200000000, 0.0000000000000000, -0.0058207700000000 ] - [ 0.0121965700000000, 0.0000000000000000, 0.0057590000000000 ] - [ -0.0042655000000000, -0.0000275800000000, -0.0000291100000000 ] - [ 0.0022387900000000, 0.0020809500000000, 0.0004854700000000 ] - [ 0.0022424100000000, -0.0020704400000000, -0.0004882200000000 ] - [ -0.0042655000000000, 0.0000275800000000, -0.0000291100000000 ] - [ 0.0022387900000000, -0.0020809500000000, 0.0004854700000000 ] - [ 0.0022424100000000, 0.0020704400000000, -0.0004882200000000 ] - [ 0.0079983500000000, -0.0191779900000000, 0.0047535000000000 ] - [ 0.0080053600000000, 0.0193921600000000, -0.0048254500000000 ] - [ 0.0040878600000000, 0.0000060300000000, -0.0000034800000000 ] - [ -0.0008206200000000, 0.0000000000000000, 0.0011100900000000 ] - [ -0.0008329900000000, 0.0000000000000000, -0.0011183900000000 ] - [ 0.0017436000000000, 0.0000000000000000, -0.0000043300000000 ] - [ 0.0079983500000000, 0.0191779900000000, 0.0047535000000000 ] - [ 0.0080053600000000, -0.0193921600000000, -0.0048254500000000 ] - [ 0.0040878600000000, -0.0000060300000000, -0.0000034800000000 ] - [ -0.0003350900000000, -0.0002040900000000, 0.0001530700000000 ] - [ -0.0003406600000000, 0.0002042200000000, -0.0001477100000000 ] - [ 0.0008953100000000, 0.0000001700000000, 0.0000068100000000 ] - [ -0.0002032500000000, 0.0000000000000000, 0.0000916300000000 ] - [ -0.0002072000000000, 0.0000000000000000, -0.0000850400000000 ] - [ 0.0004631900000000, 0.0000000000000000, 0.0000063100000000 ] - [ -0.0003350900000000, 0.0002040900000000, 0.0001530700000000 ] - [ -0.0003406600000000, -0.0002042200000000, -0.0001477100000000 ] - [ 0.0008953100000000, -0.0000001700000000, 0.0000068100000000 ] - [ -0.0008065100000000, 0.0000000000000000, 0.0000023300000000 ] - [ 0.0003938000000000, 0.0000000000000000, -0.0001031900000000 ] - [ 0.0004000800000000, 0.0000000000000000, 0.0001127800000000 ] - [ -0.0004498000000000, -0.0000007600000000, 0.0000016600000000 ] - [ 0.0002993700000000, 0.0001847900000000, 0.0000368200000000 ] - [ 0.0003076300000000, -0.0001825600000000, -0.0000262700000000 ] - [ -0.0004498000000000, 0.0000007600000000, 0.0000016600000000 ] - [ 0.0002993700000000, -0.0001847900000000, 0.0000368200000000 ] - [ 0.0003076300000000, 0.0001825600000000, -0.0000262700000000 ] - [ 0.0003547200000000, 0.0000000000000000, 0.0020088100000000 ] - [ 0.0003386600000000, 0.0000000000000000, -0.0019990300000000 ] - [ 0.0012313700000000, 0.0000000000000000, -0.0000009300000000 ] - [ -0.0002541100000000, -0.0002870300000000, 0.0004005400000000 ] - [ -0.0002737400000000, 0.0002727300000000, -0.0003890800000000 ] - [ 0.0007478000000000, 0.0000012100000000, -0.0000013100000000 ] - [ -0.0002541100000000, 0.0002870300000000, 0.0004005400000000 ] - [ -0.0002737400000000, -0.0002727300000000, -0.0003890800000000 ] - [ 0.0007478000000000, -0.0000012100000000, -0.0000013100000000 ] - [ -0.0026327600000000, -0.0000057800000000, -0.0000128200000000 ] - [ 0.0024155100000000, 0.0021766100000000, 0.0019963000000000 ] - [ 0.0023985700000000, -0.0021538500000000, -0.0019799900000000 ] - [ -0.0009550300000000, 0.0000000000000000, 0.0000011000000000 ] - [ 0.0003693400000000, 0.0000000000000000, 0.0002542000000000 ] - [ 0.0003725500000000, 0.0000000000000000, -0.0002536100000000 ] - [ -0.0026327600000000, 0.0000057800000000, -0.0000128200000000 ] - [ 0.0024155100000000, -0.0021766100000000, 0.0019963000000000 ] - [ 0.0023985700000000, 0.0021538500000000, -0.0019799900000000 ] - [ 0.0226562200000000, 0.0000000000000000, -0.0215322300000000 ] - [ 0.0244860900000000, 0.0000000000000000, 0.0166641300000000 ] - [ -0.0079799700000000, 0.0000000000000000, -0.0031058600000000 ] - [ 0.0018223200000000, 0.0058061400000000, -0.0006827700000000 ] - [ 0.0018488600000000, -0.0058274800000000, -0.0055185900000000 ] - [ -0.0031802300000000, -0.0000057400000000, -0.0030974300000000 ] - [ 0.0018223200000000, -0.0058061400000000, -0.0006827700000000 ] - [ 0.0018488600000000, 0.0058274800000000, -0.0055185900000000 ] - [ -0.0031802300000000, 0.0000057400000000, -0.0030974300000000 ] - [ 0.0251803800000000, 0.0000550900000000, 0.0031599300000000 ] - [ -0.0063968000000000, -0.0024552400000000, 0.0058932300000000 ] - [ -0.0064025500000000, 0.0024398700000000, 0.0003340100000000 ] - [ 0.0015699400000000, 0.0000000000000000, 0.0031009500000000 ] - [ -0.0008077700000000, 0.0000000000000000, 0.0038138000000000 ] - [ -0.0008194700000000, 0.0000000000000000, 0.0024026600000000 ] - [ 0.0251803800000000, -0.0000550900000000, 0.0031599300000000 ] - [ -0.0063968000000000, 0.0024552400000000, 0.0058932300000000 ] - [ -0.0064025500000000, -0.0024398700000000, 0.0003340100000000 ] - [ 0.0015828600000000, 0.0000008000000000, -0.0031079100000000 ] - [ -0.0008160100000000, -0.0004264900000000, -0.0029851200000000 ] - [ -0.0008288600000000, 0.0004288300000000, -0.0032311400000000 ] - [ 0.0009030000000000, 0.0000000000000000, -0.0031072600000000 ] - [ -0.0004404700000000, 0.0000000000000000, -0.0030741000000000 ] - [ -0.0004540500000000, 0.0000000000000000, -0.0031416100000000 ] - [ 0.0015828600000000, -0.0000008000000000, -0.0031079100000000 ] - [ -0.0008160100000000, 0.0004264900000000, -0.0029851200000000 ] - [ -0.0008288600000000, -0.0004288300000000, -0.0032311400000000 ] - [ 0.0008312600000000, 0.0000000000000000, 0.0036499300000000 ] - [ 0.0008441800000000, 0.0000000000000000, 0.0025323800000000 ] - [ -0.0020712500000000, 0.0000000000000000, 0.0030910100000000 ] - [ 0.0007786500000000, 0.0002306600000000, 0.0032430300000000 ] - [ 0.0007920000000000, -0.0002321800000000, 0.0029505500000000 ] - [ -0.0017416600000000, -0.0000052600000000, 0.0030938900000000 ] - [ 0.0007786500000000, -0.0002306600000000, 0.0032430300000000 ] - [ 0.0007920000000000, 0.0002321800000000, 0.0029505500000000 ] - [ -0.0017416600000000, 0.0000052600000000, 0.0030938900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0852522500000000 ] - [ 0.0057876700000000, 0.0000000000000000, -0.0062182100000000 ] - [ -0.0057876700000000, 0.0000000000000000, -0.0062182100000000 ] - [ 0.0000000000000000, -0.0057915600000000, -0.0062025100000000 ] - [ -0.0004911300000000, 0.0004825400000000, -0.0003515200000000 ] - [ 0.0004911300000000, 0.0004825400000000, -0.0003515200000000 ] - [ 0.0000000000000000, 0.0057915600000000, -0.0062025100000000 ] - [ -0.0004911300000000, -0.0004825400000000, -0.0003515200000000 ] - [ 0.0004911300000000, -0.0004825400000000, -0.0003515200000000 ] - [ 0.0048300200000000, 0.0047487300000000, -0.0091125800000000 ] - [ -0.0048300200000000, 0.0047487300000000, -0.0091125800000000 ] - [ 0.0000000000000000, 0.0011138400000000, -0.0007347600000000 ] - [ 0.0011147100000000, 0.0000000000000000, -0.0007307100000000 ] - [ -0.0011147100000000, 0.0000000000000000, -0.0007307100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007021500000000 ] - [ 0.0048300200000000, -0.0047487300000000, -0.0091125800000000 ] - [ -0.0048300200000000, -0.0047487300000000, -0.0091125800000000 ] - [ 0.0000000000000000, -0.0011138400000000, -0.0007347600000000 ] - [ -0.0001515500000000, -0.0001491900000000, 0.0018594900000000 ] - [ 0.0001515500000000, -0.0001491900000000, 0.0018594900000000 ] - [ 0.0000000000000000, -0.0000878400000000, 0.0010846700000000 ] - [ -0.0000887300000000, 0.0000000000000000, 0.0010860300000000 ] - [ 0.0000887300000000, 0.0000000000000000, 0.0010860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007809700000000 ] - [ -0.0001515500000000, 0.0001491900000000, 0.0018594900000000 ] - [ 0.0001515500000000, 0.0001491900000000, 0.0018594900000000 ] - [ 0.0000000000000000, 0.0000878400000000, 0.0010846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021408000000000 ] - [ -0.0001064300000000, 0.0000000000000000, 0.0014710800000000 ] - [ 0.0001064300000000, 0.0000000000000000, 0.0014710800000000 ] - [ 0.0000000000000000, 0.0001095200000000, 0.0014731200000000 ] - [ 0.0000323700000000, -0.0000307000000000, 0.0011331300000000 ] - [ -0.0000323700000000, -0.0000307000000000, 0.0011331300000000 ] - [ 0.0000000000000000, -0.0001095200000000, 0.0014731200000000 ] - [ 0.0000323700000000, 0.0000307000000000, 0.0011331300000000 ] - [ -0.0000323700000000, 0.0000307000000000, 0.0011331300000000 ] - [ 0.0030226300000000, 0.0000000000000000, 0.0034450100000000 ] - [ -0.0030226300000000, 0.0000000000000000, 0.0034450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003841800000000 ] - [ 0.0012851600000000, -0.0010315100000000, 0.0009633900000000 ] - [ -0.0012851600000000, -0.0010315100000000, 0.0009633900000000 ] - [ 0.0000000000000000, 0.0001553600000000, -0.0001063100000000 ] - [ 0.0012851600000000, 0.0010315100000000, 0.0009633900000000 ] - [ -0.0012851600000000, 0.0010315100000000, 0.0009633900000000 ] - [ 0.0000000000000000, -0.0001553600000000, -0.0001063100000000 ] - [ 0.0000000000000000, 0.0030479900000000, 0.0034653900000000 ] - [ 0.0010324500000000, 0.0012858300000000, 0.0009599000000000 ] - [ -0.0010324500000000, 0.0012858300000000, 0.0009599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003921400000000 ] - [ -0.0001563000000000, 0.0000000000000000, -0.0001096600000000 ] - [ 0.0001563000000000, 0.0000000000000000, -0.0001096600000000 ] - [ 0.0000000000000000, -0.0030479900000000, 0.0034653900000000 ] - [ 0.0010324500000000, -0.0012858300000000, 0.0009599000000000 ] - [ -0.0010324500000000, -0.0012858300000000, 0.0009599000000000 ] - [ -0.0104017500000000, 0.0000000000000000, 0.0280209200000000 ] - [ 0.0104017500000000, 0.0000000000000000, 0.0280209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037551600000000 ] - [ -0.0014370600000000, -0.0015988300000000, -0.0014383300000000 ] - [ 0.0014370600000000, -0.0015988300000000, -0.0014383300000000 ] - [ 0.0000000000000000, -0.0010483600000000, -0.0022653600000000 ] - [ -0.0014370600000000, 0.0015988300000000, -0.0014383300000000 ] - [ 0.0014370600000000, 0.0015988300000000, -0.0014383300000000 ] - [ 0.0000000000000000, 0.0010483600000000, -0.0022653600000000 ] - [ 0.0000000000000000, -0.0096836900000000, 0.0338639400000000 ] - [ 0.0016242100000000, -0.0014366500000000, 0.0047378300000000 ] - [ -0.0016242100000000, -0.0014366500000000, 0.0047378300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024309700000000 ] - [ 0.0010478400000000, 0.0000000000000000, 0.0039239700000000 ] - [ -0.0010478400000000, 0.0000000000000000, 0.0039239700000000 ] - [ 0.0000000000000000, 0.0096836900000000, 0.0338639400000000 ] - [ 0.0016242100000000, 0.0014366500000000, 0.0047378300000000 ] - [ -0.0016242100000000, 0.0014366500000000, 0.0047378300000000 ] - [ 0.0000000000000000, 0.0010993900000000, -0.0063081900000000 ] - [ 0.0010583500000000, 0.0008938900000000, -0.0046464900000000 ] - [ -0.0010583500000000, 0.0008938900000000, -0.0046464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046173400000000 ] - [ 0.0007249500000000, 0.0000000000000000, -0.0042339900000000 ] - [ -0.0007249500000000, 0.0000000000000000, -0.0042339900000000 ] - [ 0.0000000000000000, -0.0010993900000000, -0.0063081900000000 ] - [ 0.0010583500000000, -0.0008938900000000, -0.0046464900000000 ] - [ -0.0010583500000000, -0.0008938900000000, -0.0046464900000000 ] - [ 0.0011024100000000, 0.0000000000000000, -0.0001175700000000 ] - [ -0.0011024100000000, 0.0000000000000000, -0.0001175700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015818100000000 ] - [ 0.0008985500000000, -0.0010629600000000, 0.0015515900000000 ] - [ -0.0008985500000000, -0.0010629600000000, 0.0015515900000000 ] - [ 0.0000000000000000, -0.0007271200000000, 0.0019646300000000 ] - [ 0.0008985500000000, 0.0010629600000000, 0.0015515900000000 ] - [ -0.0008985500000000, 0.0010629600000000, 0.0015515900000000 ] - [ 0.0000000000000000, 0.0007271200000000, 0.0019646300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003414600000000, 0.0000000000000000, 0.0030345200000000 ] - [ 0.0012316200000000, 0.0000000000000000, 0.0000025600000000 ] - [ 0.0003510600000000, 0.0000000000000000, -0.0030351800000000 ] - [ -0.0002668800000000, 0.0021725700000000, 0.0012862400000000 ] - [ 0.0007472500000000, 0.0000013300000000, 0.0000012100000000 ] - [ -0.0002605800000000, -0.0021570500000000, -0.0012844400000000 ] - [ -0.0002668800000000, -0.0021725700000000, 0.0012862400000000 ] - [ 0.0007472500000000, -0.0000013300000000, 0.0000012100000000 ] - [ -0.0002605800000000, 0.0021570500000000, -0.0012844400000000 ] - [ -0.0026331800000000, -0.0000094600000000, -0.0000139300000000 ] - [ 0.0024084700000000, 0.0002797100000000, 0.0010352600000000 ] - [ 0.0024054300000000, -0.0002795600000000, -0.0010302100000000 ] - [ -0.0009546700000000, 0.0000000000000000, -0.0000019400000000 ] - [ 0.0003696600000000, 0.0000000000000000, -0.0001571200000000 ] - [ 0.0003731700000000, 0.0000000000000000, 0.0001553700000000 ] - [ -0.0026331800000000, 0.0000094600000000, -0.0000139300000000 ] - [ 0.0024084700000000, -0.0002797100000000, 0.0010352600000000 ] - [ 0.0024054300000000, 0.0002795600000000, -0.0010302100000000 ] - [ -0.0026331800000000, -0.0000094600000000, 0.0000139300000000 ] - [ 0.0024084700000000, 0.0002797100000000, -0.0010352600000000 ] - [ 0.0024054300000000, -0.0002795600000000, 0.0010302100000000 ] - [ -0.0009546700000000, 0.0000000000000000, 0.0000019400000000 ] - [ 0.0003696600000000, 0.0000000000000000, 0.0001571200000000 ] - [ 0.0003731700000000, 0.0000000000000000, -0.0001553700000000 ] - [ -0.0026331800000000, 0.0000094600000000, 0.0000139300000000 ] - [ 0.0024084700000000, -0.0002797100000000, -0.0010352600000000 ] - [ 0.0024054300000000, 0.0002795600000000, 0.0010302100000000 ] - [ 0.0003414600000000, 0.0000000000000000, -0.0030345200000000 ] - [ 0.0012316200000000, 0.0000000000000000, -0.0000025600000000 ] - [ 0.0003510600000000, 0.0000000000000000, 0.0030351800000000 ] - [ -0.0002668800000000, 0.0021725700000000, -0.0012862400000000 ] - [ 0.0007472500000000, 0.0000013300000000, -0.0000012100000000 ] - [ -0.0002605800000000, -0.0021570500000000, 0.0012844400000000 ] - [ -0.0002668800000000, -0.0021725700000000, -0.0012862400000000 ] - [ 0.0007472500000000, -0.0000013300000000, -0.0000012100000000 ] - [ -0.0002605800000000, 0.0021570500000000, 0.0012844400000000 ] - [ -0.0312081600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0075245500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074415100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019682700000000, -0.0000197700000000, 0.0000000000000000 ] - [ 0.0004748800000000, 0.0003016900000000, 0.0000000000000000 ] - [ 0.0004759500000000, -0.0003002500000000, 0.0000000000000000 ] - [ -0.0019682700000000, 0.0000197700000000, 0.0000000000000000 ] - [ 0.0004748800000000, -0.0003016900000000, 0.0000000000000000 ] - [ 0.0004759500000000, 0.0003002500000000, 0.0000000000000000 ] - [ -0.0001794900000000, 0.0000480400000000, 0.0000000000000000 ] - [ 0.0003802800000000, 0.0000000200000000, 0.0000000000000000 ] - [ -0.0001775200000000, -0.0000480500000000, 0.0000000000000000 ] - [ -0.0001026200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004518400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001007000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001794900000000, -0.0000480400000000, 0.0000000000000000 ] - [ 0.0003802800000000, -0.0000000200000000, 0.0000000000000000 ] - [ -0.0001775200000000, 0.0000480500000000, 0.0000000000000000 ] - [ 0.0022979200000000, 0.0000000000000000, -0.0030854100000000 ] - [ -0.0010627000000000, 0.0000000000000000, -0.0039437800000000 ] - [ -0.0010666900000000, 0.0000000000000000, -0.0022550900000000 ] - [ 0.0015478300000000, 0.0000017900000000, -0.0030951300000000 ] - [ -0.0006062400000000, -0.0003386800000000, -0.0033377500000000 ] - [ -0.0006086700000000, 0.0003384100000000, -0.0028567100000000 ] - [ 0.0015478300000000, -0.0000017900000000, -0.0030951300000000 ] - [ -0.0006062400000000, 0.0003386800000000, -0.0033377500000000 ] - [ -0.0006086700000000, -0.0003384100000000, -0.0028567100000000 ] - [ 0.0016879200000000, -0.0008761800000000, 0.0020848800000000 ] - [ -0.0024930300000000, -0.0000050100000000, 0.0030915400000000 ] - [ 0.0015955000000000, 0.0009428000000000, 0.0041930200000000 ] - [ 0.0004755500000000, 0.0000000000000000, 0.0037093400000000 ] - [ -0.0008731500000000, 0.0000000000000000, 0.0030973600000000 ] - [ 0.0004601300000000, 0.0000000000000000, 0.0024986600000000 ] - [ 0.0016879200000000, 0.0008761800000000, 0.0020848800000000 ] - [ -0.0024930300000000, 0.0000050100000000, 0.0030915400000000 ] - [ 0.0015955000000000, -0.0009428000000000, 0.0041930200000000 ] - [ 0.0016879200000000, -0.0008761800000000, -0.0020848800000000 ] - [ -0.0024930300000000, -0.0000050100000000, -0.0030915400000000 ] - [ 0.0015955000000000, 0.0009428000000000, -0.0041930200000000 ] - [ 0.0004755500000000, 0.0000000000000000, -0.0037093400000000 ] - [ -0.0008731500000000, 0.0000000000000000, -0.0030973600000000 ] - [ 0.0004601300000000, 0.0000000000000000, -0.0024986600000000 ] - [ 0.0016879200000000, 0.0008761800000000, -0.0020848800000000 ] - [ -0.0024930300000000, 0.0000050100000000, -0.0030915400000000 ] - [ 0.0015955000000000, -0.0009428000000000, -0.0041930200000000 ] - [ 0.0022979200000000, 0.0000000000000000, 0.0030854100000000 ] - [ -0.0010627000000000, 0.0000000000000000, 0.0039437800000000 ] - [ -0.0010666900000000, 0.0000000000000000, 0.0022550900000000 ] - [ 0.0015478300000000, 0.0000017900000000, 0.0030951300000000 ] - [ -0.0006062400000000, -0.0003386800000000, 0.0033377500000000 ] - [ -0.0006086700000000, 0.0003384100000000, 0.0028567100000000 ] - [ 0.0015478300000000, -0.0000017900000000, 0.0030951300000000 ] - [ -0.0006062400000000, 0.0003386800000000, 0.0033377500000000 ] - [ -0.0006086700000000, -0.0003384100000000, 0.0028567100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020181900000000, 0.0000000000000000, 0.0034730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003915800000000 ] - [ -0.0020181900000000, 0.0000000000000000, 0.0034730900000000 ] - [ 0.0003948700000000, 0.0019921100000000, 0.0009611900000000 ] - [ 0.0000000000000000, 0.0002533400000000, -0.0001085300000000 ] - [ -0.0003948700000000, 0.0019921100000000, 0.0009611900000000 ] - [ 0.0003948700000000, -0.0019921100000000, 0.0009611900000000 ] - [ 0.0000000000000000, -0.0002533400000000, -0.0001085300000000 ] - [ -0.0003948700000000, -0.0019921100000000, 0.0009611900000000 ] - [ 0.0000000000000000, 0.0020181900000000, 0.0034730900000000 ] - [ 0.0019921100000000, 0.0003948700000000, 0.0009611900000000 ] - [ -0.0019921100000000, 0.0003948700000000, 0.0009611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003915800000000 ] - [ 0.0002533400000000, 0.0000000000000000, -0.0001085300000000 ] - [ -0.0002533400000000, 0.0000000000000000, -0.0001085300000000 ] - [ 0.0000000000000000, -0.0020181900000000, 0.0034730900000000 ] - [ 0.0019921100000000, -0.0003948700000000, 0.0009611900000000 ] - [ -0.0019921100000000, -0.0003948700000000, 0.0009611900000000 ] - [ 0.0000000000000000, -0.0019892400000000, 0.0034360100000000 ] - [ -0.0019853700000000, -0.0003944300000000, 0.0009617400000000 ] - [ 0.0019853700000000, -0.0003944300000000, 0.0009617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856400000000 ] - [ -0.0002538600000000, 0.0000000000000000, -0.0001067400000000 ] - [ 0.0002538600000000, 0.0000000000000000, -0.0001067400000000 ] - [ 0.0000000000000000, 0.0019892400000000, 0.0034360100000000 ] - [ -0.0019853700000000, 0.0003944300000000, 0.0009617400000000 ] - [ 0.0019853700000000, 0.0003944300000000, 0.0009617400000000 ] - [ -0.0019892400000000, 0.0000000000000000, 0.0034360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856400000000 ] - [ 0.0019892400000000, 0.0000000000000000, 0.0034360100000000 ] - [ -0.0003944300000000, -0.0019853700000000, 0.0009617400000000 ] - [ 0.0000000000000000, -0.0002538600000000, -0.0001067400000000 ] - [ 0.0003944300000000, -0.0019853700000000, 0.0009617400000000 ] - [ -0.0003944300000000, 0.0019853700000000, 0.0009617400000000 ] - [ 0.0000000000000000, 0.0002538600000000, -0.0001067400000000 ] - [ 0.0003944300000000, 0.0019853700000000, 0.0009617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0377014700000000 ] - [ -0.0000125900000000, 0.0000000000000000, -0.0011029800000000 ] - [ 0.0000125900000000, 0.0000000000000000, -0.0011029800000000 ] - [ 0.0000000000000000, -0.0000125900000000, -0.0011029800000000 ] - [ -0.0000002200000000, -0.0000002200000000, -0.0004947900000000 ] - [ 0.0000002200000000, -0.0000002200000000, -0.0004947900000000 ] - [ 0.0000000000000000, 0.0000125900000000, -0.0011029800000000 ] - [ -0.0000002200000000, 0.0000002200000000, -0.0004947900000000 ] - [ 0.0000002200000000, 0.0000002200000000, -0.0004947900000000 ] - [ 0.0000002200000000, 0.0000002200000000, 0.0006495800000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0004815800000000 ] - [ -0.0000002200000000, 0.0000002200000000, 0.0006495800000000 ] - [ 0.0000002200000000, 0.0000000000000000, 0.0004815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004426500000000 ] - [ -0.0000002200000000, 0.0000000000000000, 0.0004815800000000 ] - [ 0.0000002200000000, -0.0000002200000000, 0.0006495800000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0004815800000000 ] - [ -0.0000002200000000, -0.0000002200000000, 0.0006495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066248900000000 ] - [ -0.0009535400000000, 0.0000000000000000, -0.0042720300000000 ] - [ 0.0009535400000000, 0.0000000000000000, -0.0042720300000000 ] - [ 0.0000000000000000, -0.0009535400000000, -0.0042720300000000 ] - [ -0.0003544700000000, -0.0003544700000000, -0.0036909800000000 ] - [ 0.0003544700000000, -0.0003544700000000, -0.0036909800000000 ] - [ 0.0000000000000000, 0.0009535400000000, -0.0042720300000000 ] - [ -0.0003544700000000, 0.0003544700000000, -0.0036909800000000 ] - [ 0.0003544700000000, 0.0003544700000000, -0.0036909800000000 ] - [ -0.0009487700000000, -0.0009487700000000, 0.0045730100000000 ] - [ 0.0000000000000000, -0.0001314800000000, 0.0040192200000000 ] - [ 0.0009487700000000, -0.0009487700000000, 0.0045730100000000 ] - [ -0.0001314800000000, 0.0000000000000000, 0.0040192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035224400000000 ] - [ 0.0001314800000000, 0.0000000000000000, 0.0040192200000000 ] - [ -0.0009487700000000, 0.0009487700000000, 0.0045730100000000 ] - [ 0.0000000000000000, 0.0001314800000000, 0.0040192200000000 ] - [ 0.0009487700000000, 0.0009487700000000, 0.0045730100000000 ] - [ 0.0010050200000000, 0.0010050200000000, -0.0016966900000000 ] - [ 0.0000000000000000, 0.0001356000000000, -0.0021956400000000 ] - [ -0.0010050200000000, 0.0010050200000000, -0.0016966900000000 ] - [ 0.0001356000000000, 0.0000000000000000, -0.0021956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026831900000000 ] - [ -0.0001356000000000, 0.0000000000000000, -0.0021956400000000 ] - [ 0.0010050200000000, -0.0010050200000000, -0.0016966900000000 ] - [ 0.0000000000000000, -0.0001356000000000, -0.0021956400000000 ] - [ -0.0010050200000000, -0.0010050200000000, -0.0016966900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004166300000000 ] - [ 0.0009489300000000, 0.0000000000000000, 0.0019321500000000 ] - [ -0.0009489300000000, 0.0000000000000000, 0.0019321500000000 ] - [ 0.0000000000000000, 0.0009489300000000, 0.0019321500000000 ] - [ 0.0003537300000000, 0.0003537300000000, 0.0025117700000000 ] - [ -0.0003537300000000, 0.0003537300000000, 0.0025117700000000 ] - [ 0.0000000000000000, -0.0009489300000000, 0.0019321500000000 ] - [ 0.0003537300000000, -0.0003537300000000, 0.0025117700000000 ] - [ -0.0003537300000000, -0.0003537300000000, 0.0025117700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0245343100000000, 0.0000000000000000, -0.0106613300000000 ] - [ -0.0079802400000000, 0.0000000000000000, 0.0000105900000000 ] - [ 0.0226114500000000, 0.0000000000000000, 0.0094379200000000 ] - [ 0.0018517700000000, -0.0024510700000000, -0.0014437900000000 ] - [ -0.0031798400000000, -0.0000082100000000, -0.0000025600000000 ] - [ 0.0018195000000000, 0.0024440400000000, 0.0014296500000000 ] - [ 0.0018517700000000, 0.0024510700000000, -0.0014437900000000 ] - [ -0.0031798400000000, 0.0000082100000000, -0.0000025600000000 ] - [ 0.0018195000000000, -0.0024440400000000, 0.0014296500000000 ] - [ 0.0251807000000000, -0.0000101000000000, -0.0000124400000000 ] - [ -0.0064113700000000, -0.0058425700000000, 0.0016169400000000 ] - [ -0.0063878900000000, 0.0057914100000000, -0.0016061300000000 ] - [ 0.0015696300000000, 0.0000000000000000, -0.0000085100000000 ] - [ -0.0008089600000000, 0.0000000000000000, 0.0010497300000000 ] - [ -0.0008173900000000, 0.0000000000000000, -0.0010466000000000 ] - [ 0.0251807000000000, 0.0000101000000000, -0.0000124400000000 ] - [ -0.0064113700000000, 0.0058425700000000, 0.0016169400000000 ] - [ -0.0063878900000000, -0.0057914100000000, -0.0016061300000000 ] - [ 0.0015830600000000, 0.0000010600000000, -0.0000013900000000 ] - [ -0.0008220300000000, -0.0002327400000000, -0.0010575500000000 ] - [ -0.0008231900000000, 0.0002298000000000, 0.0010638600000000 ] - [ 0.0009029600000000, 0.0000000000000000, -0.0000016800000000 ] - [ -0.0004484500000000, 0.0000000000000000, -0.0007230000000000 ] - [ -0.0004463400000000, 0.0000000000000000, 0.0007295900000000 ] - [ 0.0015830600000000, -0.0000010600000000, -0.0000013900000000 ] - [ -0.0008220300000000, 0.0002327400000000, -0.0010575500000000 ] - [ -0.0008231900000000, -0.0002298000000000, 0.0010638600000000 ] - [ 0.0008383500000000, 0.0000000000000000, -0.0010993700000000 ] - [ -0.0020709900000000, 0.0000000000000000, -0.0000010400000000 ] - [ 0.0008376900000000, 0.0000000000000000, 0.0011024300000000 ] - [ 0.0007823300000000, -0.0004278300000000, -0.0008950800000000 ] - [ -0.0017418300000000, -0.0000008000000000, 0.0000025800000000 ] - [ 0.0007882100000000, 0.0004273800000000, 0.0008971400000000 ] - [ 0.0007823300000000, 0.0004278300000000, -0.0008950800000000 ] - [ -0.0017418300000000, 0.0000008000000000, 0.0000025800000000 ] - [ 0.0007882100000000, -0.0004273800000000, 0.0008971400000000 ] - [ 0.0022968700000000, 0.0000000000000000, 0.0000096500000000 ] - [ -0.0010644400000000, 0.0000000000000000, 0.0009545600000000 ] - [ -0.0010639600000000, 0.0000000000000000, -0.0009471000000000 ] - [ 0.0015486800000000, -0.0000042700000000, 0.0000032300000000 ] - [ -0.0006068000000000, -0.0003396300000000, 0.0003559300000000 ] - [ -0.0006091000000000, 0.0003376200000000, -0.0003538400000000 ] - [ 0.0015486800000000, 0.0000042700000000, 0.0000032300000000 ] - [ -0.0006068000000000, 0.0003396300000000, 0.0003559300000000 ] - [ -0.0006091000000000, -0.0003376200000000, -0.0003538400000000 ] - [ 0.0016957100000000, -0.0008679200000000, -0.0009470400000000 ] - [ -0.0024936600000000, -0.0000075400000000, -0.0000058400000000 ] - [ 0.0015899000000000, 0.0009498200000000, 0.0010066200000000 ] - [ 0.0004679500000000, 0.0000000000000000, -0.0001329600000000 ] - [ -0.0008720600000000, 0.0000000000000000, -0.0000010900000000 ] - [ 0.0004655100000000, 0.0000000000000000, 0.0001345800000000 ] - [ 0.0016957100000000, 0.0008679200000000, -0.0009470400000000 ] - [ -0.0024936600000000, 0.0000075400000000, -0.0000058400000000 ] - [ 0.0015899000000000, -0.0009498200000000, 0.0010066200000000 ] - [ -0.1569314900000000, 0.0000000000000000, -0.0015881000000000 ] - [ 0.0327580200000000, 0.0000000000000000, 0.0017831800000000 ] - [ 0.0323783000000000, 0.0000000000000000, -0.0079419900000000 ] - [ -0.0049136700000000, -0.0000553200000000, -0.0031147800000000 ] - [ 0.0024323400000000, 0.0033347800000000, -0.0034343800000000 ] - [ 0.0024481200000000, -0.0033122200000000, -0.0027577700000000 ] - [ -0.0049136700000000, 0.0000553200000000, -0.0031147800000000 ] - [ 0.0024323400000000, -0.0033347800000000, -0.0034343800000000 ] - [ 0.0024481200000000, 0.0033122200000000, -0.0027577700000000 ] - [ 0.0030768500000000, 0.0278561800000000, -0.0149068400000000 ] - [ 0.0065251200000000, 0.0000095000000000, 0.0030936000000000 ] - [ 0.0031147800000000, -0.0275903800000000, 0.0209206000000000 ] - [ -0.0007250500000000, 0.0000000000000000, 0.0021965100000000 ] - [ 0.0015554800000000, 0.0000000000000000, 0.0030989300000000 ] - [ -0.0007183200000000, 0.0000000000000000, 0.0040133300000000 ] - [ 0.0030768500000000, -0.0278561800000000, -0.0149068400000000 ] - [ 0.0065251200000000, -0.0000095000000000, 0.0030936000000000 ] - [ 0.0031147800000000, 0.0275903800000000, 0.0209206000000000 ] - [ -0.0010109100000000, 0.0001486600000000, -0.0023234600000000 ] - [ 0.0018931800000000, 0.0000034800000000, -0.0031047200000000 ] - [ -0.0010136400000000, -0.0001456800000000, -0.0038836600000000 ] - [ -0.0007654400000000, 0.0000000000000000, -0.0027074100000000 ] - [ 0.0013815000000000, 0.0000000000000000, -0.0031037200000000 ] - [ -0.0007717800000000, 0.0000000000000000, -0.0035010200000000 ] - [ -0.0010109100000000, -0.0001486600000000, -0.0023234600000000 ] - [ 0.0018931800000000, -0.0000034800000000, -0.0031047200000000 ] - [ -0.0010136400000000, 0.0001456800000000, -0.0038836600000000 ] - [ -0.0063288300000000, 0.0000000000000000, 0.0030678300000000 ] - [ 0.0030122200000000, 0.0000000000000000, 0.0050969300000000 ] - [ 0.0030162200000000, 0.0000000000000000, 0.0011037300000000 ] - [ -0.0045400400000000, 0.0000028100000000, 0.0031028300000000 ] - [ 0.0024062200000000, 0.0011097700000000, 0.0044540300000000 ] - [ 0.0024111000000000, -0.0011143900000000, 0.0017419500000000 ] - [ -0.0045400400000000, -0.0000028100000000, 0.0031028300000000 ] - [ 0.0024062200000000, -0.0011097700000000, 0.0044540300000000 ] - [ 0.0024111000000000, 0.0011143900000000, 0.0017419500000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0185664400000000, 0.0000000000000000, 0.0307262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006647300000000 ] - [ 0.0185664400000000, 0.0000000000000000, 0.0307262100000000 ] - [ 0.0024280500000000, 0.0027862700000000, 0.0016567200000000 ] - [ 0.0000000000000000, 0.0007077100000000, 0.0008323100000000 ] - [ -0.0024280500000000, 0.0027862700000000, 0.0016567200000000 ] - [ 0.0024280500000000, -0.0027862700000000, 0.0016567200000000 ] - [ 0.0000000000000000, -0.0007077100000000, 0.0008323100000000 ] - [ -0.0024280500000000, -0.0027862700000000, 0.0016567200000000 ] - [ 0.0000000000000000, -0.0185664400000000, 0.0307262100000000 ] - [ 0.0027862700000000, 0.0024280500000000, 0.0016567200000000 ] - [ -0.0027862700000000, 0.0024280500000000, 0.0016567200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006647300000000 ] - [ 0.0007077100000000, 0.0000000000000000, 0.0008323100000000 ] - [ -0.0007077100000000, 0.0000000000000000, 0.0008323100000000 ] - [ 0.0000000000000000, 0.0185664400000000, 0.0307262100000000 ] - [ 0.0027862700000000, -0.0024280500000000, 0.0016567200000000 ] - [ -0.0027862700000000, -0.0024280500000000, 0.0016567200000000 ] - [ 0.0000000000000000, -0.0005721900000000, -0.0032186700000000 ] - [ -0.0001278600000000, -0.0001503900000000, -0.0015483400000000 ] - [ 0.0001278600000000, -0.0001503900000000, -0.0015483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015243600000000 ] - [ -0.0000368200000000, 0.0000000000000000, -0.0011375400000000 ] - [ 0.0000368200000000, 0.0000000000000000, -0.0011375400000000 ] - [ 0.0000000000000000, 0.0005721900000000, -0.0032186700000000 ] - [ -0.0001278600000000, 0.0001503900000000, -0.0015483400000000 ] - [ 0.0001278600000000, 0.0001503900000000, -0.0015483400000000 ] - [ -0.0005721900000000, 0.0000000000000000, -0.0032186700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015243600000000 ] - [ 0.0005721900000000, 0.0000000000000000, -0.0032186700000000 ] - [ -0.0001503900000000, -0.0001278600000000, -0.0015483400000000 ] - [ 0.0000000000000000, -0.0000368200000000, -0.0011375400000000 ] - [ 0.0001503900000000, -0.0001278600000000, -0.0015483400000000 ] - [ -0.0001503900000000, 0.0001278600000000, -0.0015483400000000 ] - [ 0.0000000000000000, 0.0000368200000000, -0.0011375400000000 ] - [ 0.0001503900000000, 0.0001278600000000, -0.0015483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034745200000000 ] - [ 0.0008422400000000, 0.0000000000000000, -0.0011733100000000 ] - [ -0.0008422400000000, 0.0000000000000000, -0.0011733100000000 ] - [ 0.0000000000000000, 0.0008422400000000, -0.0011733100000000 ] - [ 0.0002437300000000, 0.0002437300000000, -0.0005950400000000 ] - [ -0.0002437300000000, 0.0002437300000000, -0.0005950400000000 ] - [ 0.0000000000000000, -0.0008422400000000, -0.0011733100000000 ] - [ 0.0002437300000000, -0.0002437300000000, -0.0005950400000000 ] - [ -0.0002437300000000, -0.0002437300000000, -0.0005950400000000 ] - [ -0.0010484700000000, -0.0010484700000000, 0.0014529100000000 ] - [ 0.0000000000000000, 0.0006082200000000, 0.0009147800000000 ] - [ 0.0010484700000000, -0.0010484700000000, 0.0014529100000000 ] - [ 0.0006082200000000, 0.0000000000000000, 0.0009147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004209100000000 ] - [ -0.0006082200000000, 0.0000000000000000, 0.0009147800000000 ] - [ -0.0010484700000000, 0.0010484700000000, 0.0014529100000000 ] - [ 0.0000000000000000, -0.0006082200000000, 0.0009147800000000 ] - [ 0.0010484700000000, 0.0010484700000000, 0.0014529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1754223800000000 ] - [ -0.0049085100000000, 0.0000000000000000, -0.0095794500000000 ] - [ 0.0049085100000000, 0.0000000000000000, -0.0095794500000000 ] - [ 0.0000000000000000, -0.0049085100000000, -0.0095794500000000 ] - [ 0.0003383100000000, 0.0003383100000000, -0.0067234600000000 ] - [ -0.0003383100000000, 0.0003383100000000, -0.0067234600000000 ] - [ 0.0000000000000000, 0.0049085100000000, -0.0095794500000000 ] - [ 0.0003383100000000, -0.0003383100000000, -0.0067234600000000 ] - [ -0.0003383100000000, -0.0003383100000000, -0.0067234600000000 ] - [ -0.0178356800000000, -0.0178356800000000, 0.0165658000000000 ] - [ 0.0000000000000000, -0.0009111000000000, 0.0036962300000000 ] - [ 0.0178356800000000, -0.0178356800000000, 0.0165658000000000 ] - [ -0.0009111000000000, 0.0000000000000000, 0.0036962300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031607300000000 ] - [ 0.0009111000000000, 0.0000000000000000, 0.0036962300000000 ] - [ -0.0178356800000000, 0.0178356800000000, 0.0165658000000000 ] - [ 0.0000000000000000, 0.0009111000000000, 0.0036962300000000 ] - [ 0.0178356800000000, 0.0178356800000000, 0.0165658000000000 ] - [ -0.0007651000000000, -0.0007651000000000, -0.0001236800000000 ] - [ 0.0000000000000000, -0.0003929300000000, -0.0014127900000000 ] - [ 0.0007651000000000, -0.0007651000000000, -0.0001236800000000 ] - [ -0.0003929300000000, 0.0000000000000000, -0.0014127900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020146100000000 ] - [ 0.0003929300000000, 0.0000000000000000, -0.0014127900000000 ] - [ -0.0007651000000000, 0.0007651000000000, -0.0001236800000000 ] - [ 0.0000000000000000, 0.0003929300000000, -0.0014127900000000 ] - [ 0.0007651000000000, 0.0007651000000000, -0.0001236800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0187330000000000 ] - [ 0.0020106500000000, 0.0000000000000000, 0.0052963200000000 ] - [ -0.0020106500000000, 0.0000000000000000, 0.0052963200000000 ] - [ 0.0000000000000000, 0.0020106500000000, 0.0052963200000000 ] - [ 0.0013615000000000, 0.0013615000000000, 0.0050063900000000 ] - [ -0.0013615000000000, 0.0013615000000000, 0.0050063900000000 ] - [ 0.0000000000000000, -0.0020106500000000, 0.0052963200000000 ] - [ 0.0013615000000000, -0.0013615000000000, 0.0050063900000000 ] - [ -0.0013615000000000, -0.0013615000000000, 0.0050063900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0196168800000000, 0.0000000000000000, -0.0311573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006566100000000 ] - [ -0.0196168800000000, 0.0000000000000000, -0.0311573200000000 ] - [ -0.0024073300000000, -0.0027727100000000, -0.0016425700000000 ] - [ 0.0000000000000000, -0.0007031600000000, -0.0008269300000000 ] - [ 0.0024073300000000, -0.0027727100000000, -0.0016425700000000 ] - [ -0.0024073300000000, 0.0027727100000000, -0.0016425700000000 ] - [ 0.0000000000000000, 0.0007031600000000, -0.0008269300000000 ] - [ 0.0024073300000000, 0.0027727100000000, -0.0016425700000000 ] - [ 0.0000000000000000, 0.0196168800000000, -0.0311573200000000 ] - [ -0.0027727100000000, -0.0024073300000000, -0.0016425700000000 ] - [ 0.0027727100000000, -0.0024073300000000, -0.0016425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006566100000000 ] - [ -0.0007031600000000, 0.0000000000000000, -0.0008269300000000 ] - [ 0.0007031600000000, 0.0000000000000000, -0.0008269300000000 ] - [ 0.0000000000000000, -0.0196168800000000, -0.0311573200000000 ] - [ -0.0027727100000000, 0.0024073300000000, -0.0016425700000000 ] - [ 0.0027727100000000, 0.0024073300000000, -0.0016425700000000 ] - [ 0.0000000000000000, 0.0005444700000000, 0.0032069700000000 ] - [ 0.0001176400000000, 0.0001416200000000, 0.0015461600000000 ] - [ -0.0001176400000000, 0.0001416200000000, 0.0015461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015114800000000 ] - [ 0.0000309800000000, 0.0000000000000000, 0.0011317400000000 ] - [ -0.0000309800000000, 0.0000000000000000, 0.0011317400000000 ] - [ 0.0000000000000000, -0.0005444700000000, 0.0032069700000000 ] - [ 0.0001176400000000, -0.0001416200000000, 0.0015461600000000 ] - [ -0.0001176400000000, -0.0001416200000000, 0.0015461600000000 ] - [ 0.0005444700000000, 0.0000000000000000, 0.0032069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015114800000000 ] - [ -0.0005444700000000, 0.0000000000000000, 0.0032069700000000 ] - [ 0.0001416200000000, 0.0001176400000000, 0.0015461600000000 ] - [ 0.0000000000000000, 0.0000309800000000, 0.0011317400000000 ] - [ -0.0001416200000000, 0.0001176400000000, 0.0015461600000000 ] - [ 0.0001416200000000, -0.0001176400000000, 0.0015461600000000 ] - [ 0.0000000000000000, -0.0000309800000000, 0.0011317400000000 ] - [ -0.0001416200000000, -0.0001176400000000, 0.0015461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035664800000000 ] - [ -0.0008462200000000, 0.0000000000000000, 0.0011661900000000 ] - [ 0.0008462200000000, 0.0000000000000000, 0.0011661900000000 ] - [ 0.0000000000000000, -0.0008462200000000, 0.0011661900000000 ] - [ -0.0002393200000000, -0.0002393200000000, 0.0005844500000000 ] - [ 0.0002393200000000, -0.0002393200000000, 0.0005844500000000 ] - [ 0.0000000000000000, 0.0008462200000000, 0.0011661900000000 ] - [ -0.0002393200000000, 0.0002393200000000, 0.0005844500000000 ] - [ 0.0002393200000000, 0.0002393200000000, 0.0005844500000000 ] - [ 0.0010596300000000, 0.0010596300000000, -0.0014250300000000 ] - [ 0.0000000000000000, -0.0006023700000000, -0.0009057300000000 ] - [ -0.0010596300000000, 0.0010596300000000, -0.0014250300000000 ] - [ -0.0006023700000000, 0.0000000000000000, -0.0009057300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004176400000000 ] - [ 0.0006023700000000, 0.0000000000000000, -0.0009057300000000 ] - [ 0.0010596300000000, -0.0010596300000000, -0.0014250300000000 ] - [ 0.0000000000000000, 0.0006023700000000, -0.0009057300000000 ] - [ -0.0010596300000000, -0.0010596300000000, -0.0014250300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1709074700000000 ] - [ 0.0048159500000000, 0.0000000000000000, 0.0033331300000000 ] - [ -0.0048159500000000, 0.0000000000000000, 0.0033331300000000 ] - [ 0.0000000000000000, 0.0048159500000000, 0.0033331300000000 ] - [ -0.0003384300000000, -0.0003384300000000, 0.0004991900000000 ] - [ 0.0003384300000000, -0.0003384300000000, 0.0004991900000000 ] - [ 0.0000000000000000, -0.0048159500000000, 0.0033331300000000 ] - [ -0.0003384300000000, 0.0003384300000000, 0.0004991900000000 ] - [ 0.0003384300000000, 0.0003384300000000, 0.0004991900000000 ] - [ 0.0179911900000000, 0.0179911900000000, -0.0104168500000000 ] - [ 0.0000000000000000, 0.0009059900000000, 0.0025120500000000 ] - [ -0.0179911900000000, 0.0179911900000000, -0.0104168500000000 ] - [ 0.0009059900000000, 0.0000000000000000, 0.0025120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030356100000000 ] - [ -0.0009059900000000, 0.0000000000000000, 0.0025120500000000 ] - [ 0.0179911900000000, -0.0179911900000000, -0.0104168500000000 ] - [ 0.0000000000000000, -0.0009059900000000, 0.0025120500000000 ] - [ -0.0179911900000000, -0.0179911900000000, -0.0104168500000000 ] - [ 0.0007951100000000, 0.0007951100000000, -0.0060625900000000 ] - [ 0.0000000000000000, 0.0004008200000000, -0.0047725600000000 ] - [ -0.0007951100000000, 0.0007951100000000, -0.0060625900000000 ] - [ 0.0004008200000000, 0.0000000000000000, -0.0047725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041696800000000 ] - [ -0.0004008200000000, 0.0000000000000000, -0.0047725600000000 ] - [ 0.0007951100000000, -0.0007951100000000, -0.0060625900000000 ] - [ 0.0000000000000000, -0.0004008200000000, -0.0047725600000000 ] - [ -0.0007951100000000, -0.0007951100000000, -0.0060625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0123614600000000 ] - [ -0.0019826800000000, 0.0000000000000000, 0.0009045800000000 ] - [ 0.0019826800000000, 0.0000000000000000, 0.0009045800000000 ] - [ 0.0000000000000000, -0.0019826800000000, 0.0009045800000000 ] - [ -0.0013507100000000, -0.0013507100000000, 0.0011972800000000 ] - [ 0.0013507100000000, -0.0013507100000000, 0.0011972800000000 ] - [ 0.0000000000000000, 0.0019826800000000, 0.0009045800000000 ] - [ -0.0013507100000000, 0.0013507100000000, 0.0011972800000000 ] - [ 0.0013507100000000, 0.0013507100000000, 0.0011972800000000 ]