# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e8d84f26-fe4b-41c0-a806-773d28167424/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 Mg3ReH7 / P6_3/mmc (194) / materials id 643061](https://mdr.nims.go.jp/datasets/e1e30d65-11d2-4977-9a42-8613c2e35fe3) ## 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: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.789255740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.394627870000000, 4.147617130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.607031360000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.430957340000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.569042660000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.930957340000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.069042660000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 - symbol: Re # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 186.207000 - symbol: Re # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 186.207000 - symbol: H # 9 coordinates: [ 0.170503090000000, 0.341006170000000, 0.902588200000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.658993830000000, 0.829496910000000, 0.902588200000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.170503090000000, 0.829496910000000, 0.902588200000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.829496910000000, 0.658993830000000, 0.097411800000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.341006170000000, 0.170503090000000, 0.097411800000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.829496910000000, 0.170503090000000, 0.097411800000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.829496910000000, 0.658993830000000, 0.402588200000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.341006170000000, 0.170503090000000, 0.402588200000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.829496910000000, 0.170503090000000, 0.402588200000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.170503090000000, 0.341006170000000, 0.597411800000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.658993830000000, 0.829496910000000, 0.597411800000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.170503090000000, 0.829496910000000, 0.597411800000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 1.007940 reciprocal_lattice: # without 2pi - [ 0.208800710233110, 0.120551146436219, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.241102292872438, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.094277085271105 ] # c*unit_cell: lattice: - [ 4.789255740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.394627870000000, 4.147617130000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.607031360000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.430957340000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.569042660000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.930957340000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.069042660000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 186.207000 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.170503090000000, 0.341006170000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.658993830000000, 0.829496910000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.170503090000000, 0.829496910000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.829496910000000, 0.658993830000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.341006170000000, 0.170503090000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.829496910000000, 0.170503090000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.829496910000000, 0.658993830000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.341006170000000, 0.170503090000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.829496910000000, 0.170503090000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.170503090000000, 0.341006170000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.658993830000000, 0.829496910000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.170503090000000, 0.829496910000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 22supercell: lattice: - [ 9.578511480000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.789255740000000, 8.295234260000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.607031360000001 ] # c points: - symbol: Mg # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.430957340000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.430957340000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.430957340000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.430957340000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.569042660000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.569042660000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.569042660000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.569042660000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.930957340000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.930957340000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.930957340000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.930957340000000 ] mass: 24.305000 reduced_to: 9 - symbol: Mg # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.069042660000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.069042660000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.069042660000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.069042660000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 17 - symbol: Mg # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 21 - symbol: Re # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 186.207000 reduced_to: 25 - symbol: Re # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 186.207000 reduced_to: 25 - symbol: Re # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 186.207000 reduced_to: 25 - symbol: Re # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 186.207000 reduced_to: 25 - symbol: Re # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 186.207000 reduced_to: 29 - symbol: Re # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 186.207000 reduced_to: 29 - symbol: Re # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 186.207000 reduced_to: 29 - symbol: Re # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 186.207000 reduced_to: 29 - symbol: H # 33 coordinates: [ 0.085251545000000, 0.170503085000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.585251545000000, 0.170503085000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.085251545000000, 0.670503085000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 36 coordinates: [ 0.585251545000000, 0.670503085000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 37 coordinates: [ 0.329496915000000, 0.414748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.829496915000000, 0.414748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.329496915000000, 0.914748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.829496915000000, 0.914748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.085251545000000, 0.414748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.585251545000000, 0.414748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.085251545000000, 0.914748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 44 coordinates: [ 0.585251545000000, 0.914748455000000, 0.902588200000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 45 coordinates: [ 0.414748455000000, 0.329496915000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.914748455000000, 0.329496915000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.414748455000000, 0.829496915000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 48 coordinates: [ 0.914748455000000, 0.829496915000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 49 coordinates: [ 0.170503085000000, 0.085251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.670503085000000, 0.085251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.170503085000000, 0.585251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.670503085000000, 0.585251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.414748455000000, 0.085251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.914748455000000, 0.085251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.414748455000000, 0.585251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 56 coordinates: [ 0.914748455000000, 0.585251545000000, 0.097411800000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 57 coordinates: [ 0.414748455000000, 0.329496915000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.914748455000000, 0.329496915000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.414748455000000, 0.829496915000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.914748455000000, 0.829496915000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.170503085000000, 0.085251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.670503085000000, 0.085251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.170503085000000, 0.585251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.670503085000000, 0.585251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.414748455000000, 0.085251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.914748455000000, 0.085251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.414748455000000, 0.585251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 68 coordinates: [ 0.914748455000000, 0.585251545000000, 0.402588200000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 69 coordinates: [ 0.085251545000000, 0.170503085000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.585251545000000, 0.170503085000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 71 coordinates: [ 0.085251545000000, 0.670503085000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 72 coordinates: [ 0.585251545000000, 0.670503085000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 73 coordinates: [ 0.329496915000000, 0.414748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.829496915000000, 0.414748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.329496915000000, 0.914748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.829496915000000, 0.914748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.085251545000000, 0.414748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 78 coordinates: [ 0.585251545000000, 0.414748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 79 coordinates: [ 0.085251545000000, 0.914748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 80 coordinates: [ 0.585251545000000, 0.914748455000000, 0.597411800000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 81 - symbol: H # 85 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 86 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 87 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 88 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 85born_effective_charge:- # 1 (Mg) - [ 2.232855410000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.232855410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.449200480000000 ]- # 2 (Mg) - [ 2.232855410000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.232855410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.449200480000000 ]- # 3 (Mg) - [ 2.232855410000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.232855410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.449200480000000 ]- # 4 (Mg) - [ 2.232855410000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.232855410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.449200480000000 ]- # 5 (Mg) - [ 1.472522790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.472522790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.865022210000000 ]- # 6 (Mg) - [ 1.472522790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.472522790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.865022210000000 ]- # 7 (Re) - [ -4.818611500000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.818611500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -4.025094450000000 ]- # 8 (Re) - [ -4.818611499999999, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -4.818611500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -4.025094450000000 ]- # 9 (H) - [ 0.288002390000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.369744280000000, 0.388652320000000 ] - [ 0.000000000000000, 0.414243220000000, -0.053460620000000 ]- # 10 (H) - [ -0.205307612500000, -0.284812662321146, -0.336582781867949 ] - [ -0.284812663153474, 0.123565722500000, -0.194326160000000 ] - [ -0.358745152389659, -0.207121610000000, -0.053460620000000 ]- # 11 (H) - [ -0.205307612500000, 0.284812662321146, 0.336582781867949 ] - [ 0.284812663153474, 0.123565722500000, -0.194326160000000 ] - [ 0.358745152389659, -0.207121610000000, -0.053460620000000 ]- # 12 (H) - [ 0.288002390000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.369744280000000, 0.388652320000000 ] - [ 0.000000000000000, 0.414243220000000, -0.053460620000000 ]- # 13 (H) - [ -0.205307612500000, -0.284812662321146, -0.336582781867949 ] - [ -0.284812663153474, 0.123565722500000, -0.194326160000000 ] - [ -0.358745152389659, -0.207121610000000, -0.053460620000000 ]- # 14 (H) - [ -0.205307612500000, 0.284812662321146, 0.336582781867949 ] - [ 0.284812663153474, 0.123565722500000, -0.194326160000000 ] - [ 0.358745152389659, -0.207121610000000, -0.053460620000000 ]- # 15 (H) - [ 0.288002390000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.369744280000000, -0.388652320000000 ] - [ -0.000000000000000, -0.414243220000000, -0.053460620000000 ]- # 16 (H) - [ -0.205307612500000, -0.284812662321146, 0.336582781867949 ] - [ -0.284812663153474, 0.123565722500000, 0.194326160000000 ] - [ 0.358745152389659, 0.207121610000000, -0.053460620000000 ]- # 17 (H) - [ -0.205307612500000, 0.284812662321146, -0.336582781867949 ] - [ 0.284812663153474, 0.123565722500000, 0.194326160000000 ] - [ -0.358745152389659, 0.207121610000000, -0.053460620000000 ]- # 18 (H) - [ 0.288002390000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.369744280000000, -0.388652320000000 ] - [ -0.000000000000000, -0.414243220000000, -0.053460620000000 ]- # 19 (H) - [ -0.205307612500000, -0.284812662321146, 0.336582781867949 ] - [ -0.284812663153474, 0.123565722500000, 0.194326160000000 ] - [ 0.358745152389659, 0.207121610000000, -0.053460620000000 ]- # 20 (H) - [ -0.205307612500000, 0.284812662321146, -0.336582781867949 ] - [ 0.284812663153474, 0.123565722500000, 0.194326160000000 ] - [ -0.358745152389659, 0.207121610000000, -0.053460620000000 ]- # 21 (H) - [ -0.874396420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.874396420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.417564990000000 ]- # 22 (H) - [ -0.874396420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.874396420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.417564990000000 ]dielectric_constant: - [ 5.204209650000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 5.204209650000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.906520800000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0525073000000000, -0.0003261700000000, -0.0000059500000000 ] - [ 0.0068847000000000, -0.0000064000000000, 0.0003092700000000 ] - [ 0.0002688500000000, -0.0038214900000000, 0.0015289000000000 ] - [ 0.0002688600000000, 0.0038155000000000, -0.0009269500000000 ] - [ 0.0060851500000000, -0.0071838100000000, 0.0058384200000000 ] - [ 0.0060101300000000, 0.0071161800000000, -0.0063497100000000 ] - [ -0.0063367800000000, -0.0000186700000000, -0.0003134400000000 ] - [ 0.0055583400000000, 0.0000075900000000, -0.0003040000000000 ] - [ -0.0000121500000000, -0.0001902700000000, 0.0005757800000000 ] - [ -0.0000117400000000, 0.0001997100000000, 0.0000350900000000 ] - [ -0.0003509800000000, 0.0000033900000000, 0.0003065000000000 ] - [ 0.0003573400000000, 0.0000062000000000, 0.0003069400000000 ] - [ 0.0000249800000000, -0.0000033900000000, -0.0002958600000000 ] - [ 0.0004318500000000, -0.0000057800000000, -0.0003085000000000 ] - [ 0.0000054500000000, -0.0002510600000000, -0.0001435600000000 ] - [ 0.0000086600000000, 0.0002408100000000, -0.0004648800000000 ] - [ -0.0020244300000000, 0.0000168600000000, 0.0000020800000000 ] - [ 0.0002796600000000, 0.0000012200000000, -0.0000028200000000 ] - [ 0.0025516200000000, -0.0026225100000000, 0.0054451200000000 ] - [ 0.0025693100000000, 0.0026747300000000, -0.0054910800000000 ] - [ 0.0002192700000000, -0.0000013400000000, -0.0000006300000000 ] - [ 0.0000798100000000, -0.0000021800000000, 0.0000034100000000 ] - [ 0.0006851000000000, -0.0002744300000000, -0.0031240600000000 ] - [ 0.0006835000000000, 0.0002631800000000, 0.0031312000000000 ] - [ 0.0048566600000000, 0.0000160300000000, 0.0000056800000000 ] - [ -0.0007446300000000, 0.0000071500000000, 0.0000050900000000 ] - [ 0.0042747400000000, 0.0003201600000000, -0.0003498800000000 ] - [ 0.0048428300000000, -0.0000140800000000, 0.0005172500000000 ] - [ 0.0000749900000000, -0.0000032700000000, -0.0000022100000000 ] - [ -0.0001000900000000, 0.0000008400000000, -0.0000054000000000 ] - [ 0.0003027600000000, -0.0001296100000000, 0.0000633300000000 ] - [ 0.0003136200000000, 0.0001321300000000, -0.0000733500000000 ] - [ 0.0000111300000000, 0.0001966100000000, 0.0006724500000000 ] - [ 0.0000030700000000, 0.0001963700000000, 0.0006723400000000 ] - [ -0.0000308000000000, 0.0002101200000000, 0.0006985100000000 ] - [ -0.0000321500000000, 0.0001825900000000, 0.0006459000000000 ] - [ -0.0001726300000000, -0.0001059200000000, 0.0006155800000000 ] - [ -0.0001947000000000, -0.0000697600000000, 0.0007131100000000 ] - [ -0.0001817000000000, -0.0001069500000000, 0.0006478200000000 ] - [ -0.0001611100000000, -0.0000995000000000, 0.0006873000000000 ] - [ 0.0001669100000000, -0.0000898300000000, 0.0007289800000000 ] - [ 0.0001446500000000, -0.0001273600000000, 0.0006309400000000 ] - [ 0.0001783900000000, -0.0000958300000000, 0.0006575000000000 ] - [ 0.0001563800000000, -0.0000887600000000, 0.0006968700000000 ] - [ -0.0000197300000000, -0.0002050500000000, -0.0006274100000000 ] - [ -0.0000196200000000, -0.0001880300000000, -0.0007165600000000 ] - [ 0.0000211000000000, -0.0001965900000000, -0.0006716800000000 ] - [ -0.0000364100000000, -0.0001963800000000, -0.0006716100000000 ] - [ 0.0002017100000000, 0.0001155400000000, -0.0006785800000000 ] - [ 0.0001558700000000, 0.0000776300000000, -0.0006687300000000 ] - [ 0.0001840300000000, 0.0001297300000000, -0.0007233900000000 ] - [ 0.0001577200000000, 0.0001122900000000, -0.0006279400000000 ] - [ -0.0001826300000000, 0.0001176600000000, -0.0006750200000000 ] - [ -0.0001353900000000, 0.0000793300000000, -0.0006659000000000 ] - [ -0.0001535800000000, 0.0000650200000000, -0.0006216900000000 ] - [ -0.0001809800000000, 0.0000835300000000, -0.0007150000000000 ] - [ 0.0022663800000000, -0.0002373400000000, 0.0005675900000000 ] - [ 0.0021668900000000, -0.0001542300000000, 0.0007685700000000 ] - [ 0.0000997400000000, -0.0001969000000000, 0.0006723900000000 ] - [ -0.0005351600000000, -0.0001971500000000, 0.0006713000000000 ] - [ 0.0012955800000000, -0.0001937700000000, -0.0002526100000000 ] - [ -0.0001462800000000, -0.0001415100000000, 0.0007668300000000 ] - [ 0.0015500200000000, -0.0007288200000000, -0.0001441100000000 ] - [ -0.0003349200000000, 0.0001169100000000, 0.0010868700000000 ] - [ -0.0004859400000000, 0.0003379900000000, 0.0005772900000000 ] - [ 0.0009396200000000, 0.0003807500000000, 0.0015866900000000 ] - [ 0.0012135800000000, 0.0009274800000000, 0.0014937000000000 ] - [ -0.0006710600000000, 0.0000800400000000, 0.0002353600000000 ] - [ -0.0012993400000000, 0.0002129300000000, -0.0006843600000000 ] - [ 0.0000033900000000, 0.0001951100000000, -0.0006715300000000 ] - [ 0.0005826700000000, 0.0008786300000000, -0.0001267600000000 ] - [ 0.0005623600000000, -0.0004881000000000, -0.0012152700000000 ] - [ 0.0025021100000000, 0.0022058500000000, 0.0014065200000000 ] - [ -0.0005473000000000, -0.0007566600000000, -0.0006226900000000 ] - [ 0.0000163700000000, 0.0000067800000000, -0.0006038500000000 ] - [ -0.0000472400000000, -0.0002525100000000, -0.0011732100000000 ] - [ 0.0028227200000000, -0.0023686300000000, -0.0027069700000000 ] - [ -0.0002095600000000, 0.0005513100000000, -0.0007130900000000 ] - [ 0.0002932300000000, 0.0000569900000000, -0.0001743500000000 ] - [ 0.0003526100000000, -0.0002020600000000, -0.0007402700000000 ] - [ 0.0037333600000000, 0.0000038000000000, 0.0000766800000000 ] - [ -0.0014342000000000, -0.0000003200000000, 0.0000043600000000 ] - [ -0.0000926500000000, 0.0007734800000000, -0.0002836600000000 ] - [ -0.0000944900000000, -0.0007741200000000, 0.0002856900000000 ] - [ -0.0000455300000000, 0.0007952000000000, -0.0004994700000000 ] - [ -0.0000483500000000, -0.0007940100000000, 0.0004993000000000 ] - [ 0.0013296300000000, -0.0000000900000000, -0.0000015600000000 ] - [ -0.0011678500000000, -0.0000007300000000, -0.0000009400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0643353200000000 ] - [ 0.0000000000000000, -0.0014189100000000, 0.0000142800000000 ] - [ 0.0012288200000000, 0.0007094600000000, 0.0000142800000000 ] - [ -0.0012288200000000, 0.0007094600000000, 0.0000142800000000 ] - [ 0.0061111600000000, -0.0035282800000000, -0.0001368100000000 ] - [ -0.0061111600000000, -0.0035282800000000, -0.0001368100000000 ] - [ 0.0000000000000000, 0.0070565700000000, -0.0001368100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012895900000000 ] - [ -0.0002724300000000, 0.0001572900000000, 0.0014425900000000 ] - [ 0.0002724300000000, 0.0001572900000000, 0.0014425900000000 ] - [ 0.0000000000000000, -0.0003145800000000, 0.0014425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058775200000000 ] - [ 0.0000000000000000, 0.0001874200000000, -0.0007003400000000 ] - [ -0.0001623100000000, -0.0000937100000000, -0.0007003400000000 ] - [ 0.0001623100000000, -0.0000937100000000, -0.0007003400000000 ] - [ 0.0000000000000000, 0.0079749900000000, 0.0003104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003988700000000 ] - [ 0.0069065400000000, -0.0039874900000000, 0.0003104800000000 ] - [ -0.0069065400000000, -0.0039874900000000, 0.0003104800000000 ] - [ 0.0000000000000000, -0.0021632700000000, 0.0027519100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004294500000000 ] - [ -0.0018734500000000, 0.0010816400000000, 0.0027519100000000 ] - [ 0.0018734500000000, 0.0010816400000000, 0.0027519100000000 ] - [ 0.0000000000000000, -0.0022101100000000, 0.0066994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005674600000000 ] - [ -0.0019140100000000, 0.0011050600000000, 0.0066994600000000 ] - [ 0.0019140100000000, 0.0011050600000000, 0.0066994600000000 ] - [ 0.0000000000000000, -0.0025932000000000, -0.0028786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005044000000000 ] - [ -0.0022457800000000, 0.0012966000000000, -0.0028786000000000 ] - [ 0.0022457800000000, 0.0012966000000000, -0.0028786000000000 ] - [ 0.0000000000000000, 0.0004912600000000, 0.0006324200000000 ] - [ 0.0000000000000000, 0.0002298700000000, 0.0006228400000000 ] - [ 0.0002395900000000, 0.0005506700000000, 0.0006171500000000 ] - [ -0.0002395900000000, 0.0005506700000000, 0.0006171500000000 ] - [ -0.0004254400000000, -0.0002456300000000, 0.0006324200000000 ] - [ -0.0003571000000000, -0.0004828300000000, 0.0006171500000000 ] - [ -0.0001990800000000, -0.0001149400000000, 0.0006228400000000 ] - [ -0.0005966900000000, -0.0000678400000000, 0.0006171500000000 ] - [ 0.0004254400000000, -0.0002456300000000, 0.0006324200000000 ] - [ 0.0003571000000000, -0.0004828300000000, 0.0006171500000000 ] - [ 0.0005966900000000, -0.0000678400000000, 0.0006171500000000 ] - [ 0.0001990800000000, -0.0001149400000000, 0.0006228400000000 ] - [ -0.0000896500000000, 0.0002185700000000, -0.0009014400000000 ] - [ 0.0000896500000000, 0.0002185700000000, -0.0009014400000000 ] - [ 0.0000000000000000, -0.0001396400000000, -0.0006323900000000 ] - [ 0.0000000000000000, -0.0001782100000000, -0.0004893600000000 ] - [ -0.0002341100000000, -0.0000316400000000, -0.0009014400000000 ] - [ 0.0001209300000000, 0.0000698200000000, -0.0006323900000000 ] - [ -0.0001444600000000, -0.0001869300000000, -0.0009014400000000 ] - [ 0.0001543400000000, 0.0000891100000000, -0.0004893600000000 ] - [ -0.0001209300000000, 0.0000698200000000, -0.0006323900000000 ] - [ 0.0002341100000000, -0.0000316400000000, -0.0009014400000000 ] - [ 0.0001444600000000, -0.0001869300000000, -0.0009014400000000 ] - [ -0.0001543400000000, 0.0000891100000000, -0.0004893600000000 ] - [ -0.0001109500000000, 0.0013823900000000, 0.0010160900000000 ] - [ 0.0001109500000000, 0.0013823900000000, 0.0010160900000000 ] - [ 0.0000000000000000, -0.0001946200000000, 0.0006749000000000 ] - [ 0.0000000000000000, 0.0002081100000000, 0.0013106700000000 ] - [ -0.0012526600000000, -0.0005951100000000, 0.0010160900000000 ] - [ 0.0001685500000000, 0.0000973100000000, 0.0006749000000000 ] - [ -0.0011417100000000, -0.0007872800000000, 0.0010160900000000 ] - [ -0.0001802300000000, -0.0001040600000000, 0.0013106700000000 ] - [ -0.0001685500000000, 0.0000973100000000, 0.0006749000000000 ] - [ 0.0012526600000000, -0.0005951100000000, 0.0010160900000000 ] - [ 0.0011417100000000, -0.0007872800000000, 0.0010160900000000 ] - [ 0.0001802300000000, -0.0001040600000000, 0.0013106700000000 ] - [ 0.0000000000000000, -0.0020163000000000, 0.0030314300000000 ] - [ 0.0000000000000000, 0.0002551700000000, -0.0006852900000000 ] - [ 0.0002963700000000, 0.0007586400000000, -0.0009752900000000 ] - [ -0.0002963700000000, 0.0007586400000000, -0.0009752900000000 ] - [ 0.0017461700000000, 0.0010081500000000, 0.0030314300000000 ] - [ -0.0005088200000000, -0.0006359800000000, -0.0009752900000000 ] - [ -0.0002209900000000, -0.0001275900000000, -0.0006852900000000 ] - [ -0.0008051900000000, -0.0001226600000000, -0.0009752900000000 ] - [ -0.0017461700000000, 0.0010081500000000, 0.0030314300000000 ] - [ 0.0005088200000000, -0.0006359800000000, -0.0009752900000000 ] - [ 0.0008051900000000, -0.0001226600000000, -0.0009752900000000 ] - [ 0.0002209900000000, -0.0001275900000000, -0.0006852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0235901800000000 ] - [ 0.0000000000000000, 0.0002753400000000, 0.0006194200000000 ] - [ -0.0002384500000000, -0.0001376700000000, 0.0006194200000000 ] - [ 0.0002384500000000, -0.0001376700000000, 0.0006194200000000 ] - [ -0.0005084000000000, 0.0002935300000000, -0.0009491100000000 ] - [ 0.0005084000000000, 0.0002935300000000, -0.0009491100000000 ] - [ 0.0000000000000000, -0.0005870500000000, -0.0009491100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006208800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0660510300000000 ] - [ 0.0000000000000000, 0.0014193300000000, 0.0006303300000000 ] - [ -0.0012291700000000, -0.0007096600000000, 0.0006303300000000 ] - [ 0.0012291700000000, -0.0007096600000000, 0.0006303300000000 ] - [ -0.0060743000000000, 0.0035070000000000, -0.0005296500000000 ] - [ 0.0060743000000000, 0.0035070000000000, -0.0005296500000000 ] - [ 0.0000000000000000, -0.0070140000000000, -0.0005296500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019372500000000 ] - [ 0.0002694400000000, -0.0001555600000000, -0.0007907600000000 ] - [ -0.0002694400000000, -0.0001555600000000, -0.0007907600000000 ] - [ 0.0000000000000000, 0.0003111200000000, -0.0007907600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064732900000000 ] - [ 0.0000000000000000, -0.0001838000000000, 0.0000461600000000 ] - [ 0.0001591700000000, 0.0000919000000000, 0.0000461600000000 ] - [ -0.0001591700000000, 0.0000919000000000, 0.0000461600000000 ] - [ 0.0000000000000000, -0.0080268100000000, -0.0003261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004027300000000 ] - [ -0.0069514200000000, 0.0040134100000000, -0.0003261600000000 ] - [ 0.0069514200000000, 0.0040134100000000, -0.0003261600000000 ] - [ 0.0000000000000000, 0.0021502000000000, -0.0027330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172600000000 ] - [ 0.0018621300000000, -0.0010751000000000, -0.0027330100000000 ] - [ -0.0018621300000000, -0.0010751000000000, -0.0027330100000000 ] - [ 0.0000000000000000, 0.0021832900000000, -0.0067092300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768300000000 ] - [ 0.0018907900000000, -0.0010916500000000, -0.0067092300000000 ] - [ -0.0018907900000000, -0.0010916500000000, -0.0067092300000000 ] - [ 0.0000000000000000, 0.0025891000000000, 0.0028793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005049800000000 ] - [ 0.0022422300000000, -0.0012945500000000, 0.0028793000000000 ] - [ -0.0022422300000000, -0.0012945500000000, 0.0028793000000000 ] - [ 0.0000000000000000, -0.0000906000000000, 0.0007054600000000 ] - [ 0.0000000000000000, 0.0001688000000000, 0.0007162700000000 ] - [ -0.0002394300000000, -0.0001511600000000, 0.0007208700000000 ] - [ 0.0002394300000000, -0.0001511600000000, 0.0007208700000000 ] - [ 0.0000784600000000, 0.0000453000000000, 0.0007054600000000 ] - [ 0.0000111900000000, 0.0002829300000000, 0.0007208700000000 ] - [ -0.0001461900000000, -0.0000844000000000, 0.0007162700000000 ] - [ 0.0002506200000000, -0.0001317700000000, 0.0007208700000000 ] - [ -0.0000784600000000, 0.0000453000000000, 0.0007054600000000 ] - [ -0.0000111900000000, 0.0002829300000000, 0.0007208700000000 ] - [ -0.0002506200000000, -0.0001317700000000, 0.0007208700000000 ] - [ 0.0001461900000000, -0.0000844000000000, 0.0007162700000000 ] - [ 0.0000900200000000, -0.0006192000000000, -0.0004351500000000 ] - [ -0.0000900200000000, -0.0006192000000000, -0.0004351500000000 ] - [ 0.0000000000000000, -0.0002586700000000, -0.0007043900000000 ] - [ 0.0000000000000000, -0.0002196300000000, -0.0008470600000000 ] - [ 0.0005812500000000, 0.0002316400000000, -0.0004351500000000 ] - [ 0.0002240200000000, 0.0001293400000000, -0.0007043900000000 ] - [ 0.0004912400000000, 0.0003875600000000, -0.0004351500000000 ] - [ 0.0001902100000000, 0.0001098200000000, -0.0008470600000000 ] - [ -0.0002240200000000, 0.0001293400000000, -0.0007043900000000 ] - [ -0.0005812500000000, 0.0002316400000000, -0.0004351500000000 ] - [ -0.0004912400000000, 0.0003875600000000, -0.0004351500000000 ] - [ -0.0001902100000000, 0.0001098200000000, -0.0008470600000000 ] - [ 0.0001002400000000, -0.0017909800000000, 0.0003134900000000 ] - [ -0.0001002400000000, -0.0017909800000000, 0.0003134900000000 ] - [ 0.0000000000000000, -0.0002035400000000, 0.0006635700000000 ] - [ 0.0000000000000000, -0.0005975800000000, 0.0000231200000000 ] - [ 0.0016011600000000, 0.0008086800000000, 0.0003134900000000 ] - [ 0.0001762700000000, 0.0001017700000000, 0.0006635700000000 ] - [ 0.0015009100000000, 0.0009823100000000, 0.0003134900000000 ] - [ 0.0005175200000000, 0.0002987900000000, 0.0000231200000000 ] - [ -0.0001762700000000, 0.0001017700000000, 0.0006635700000000 ] - [ -0.0016011600000000, 0.0008086800000000, 0.0003134900000000 ] - [ -0.0015009100000000, 0.0009823100000000, 0.0003134900000000 ] - [ -0.0005175200000000, 0.0002987900000000, 0.0000231200000000 ] - [ 0.0000000000000000, 0.0022792900000000, -0.0042261100000000 ] - [ 0.0000000000000000, 0.0001447000000000, -0.0006501900000000 ] - [ -0.0002972300000000, -0.0003606200000000, -0.0003579200000000 ] - [ 0.0002972300000000, -0.0003606200000000, -0.0003579200000000 ] - [ -0.0019739200000000, -0.0011396400000000, -0.0042261100000000 ] - [ 0.0001636900000000, 0.0004377200000000, -0.0003579200000000 ] - [ -0.0001253200000000, -0.0000723500000000, -0.0006501900000000 ] - [ 0.0004609200000000, -0.0000771000000000, -0.0003579200000000 ] - [ 0.0019739200000000, -0.0011396400000000, -0.0042261100000000 ] - [ -0.0001636900000000, 0.0004377200000000, -0.0003579200000000 ] - [ -0.0004609200000000, -0.0000771000000000, -0.0003579200000000 ] - [ 0.0001253200000000, -0.0000723500000000, -0.0006501900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0250635200000000 ] - [ 0.0000000000000000, -0.0002750400000000, -0.0006191000000000 ] - [ 0.0002381900000000, 0.0001375200000000, -0.0006191000000000 ] - [ -0.0002381900000000, 0.0001375200000000, -0.0006191000000000 ] - [ 0.0005061500000000, -0.0002922300000000, 0.0009485700000000 ] - [ -0.0005061500000000, -0.0002922300000000, 0.0009485700000000 ] - [ 0.0000000000000000, 0.0005844500000000, 0.0009485700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006241000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020123700000000, -0.0000176300000000, 0.0002928900000000 ] - [ 0.0002935200000000, -0.0000037600000000, 0.0003045700000000 ] - [ 0.0025789300000000, -0.0026652200000000, 0.0072726400000000 ] - [ 0.0025705700000000, 0.0026290400000000, -0.0065859100000000 ] - [ 0.0006615200000000, 0.0002719200000000, 0.0015627300000000 ] - [ 0.0006743100000000, -0.0002656000000000, -0.0021733500000000 ] - [ 0.0000618700000000, 0.0000024200000000, -0.0003016900000000 ] - [ 0.0002032200000000, 0.0000155000000000, -0.0003100100000000 ] - [ 0.0006615200000000, 0.0002719200000000, -0.0015627300000000 ] - [ 0.0006743100000000, -0.0002656000000000, 0.0021733500000000 ] - [ 0.0000618700000000, 0.0000024200000000, 0.0003016900000000 ] - [ 0.0002032200000000, 0.0000155000000000, 0.0003100100000000 ] - [ -0.0020123700000000, -0.0000176300000000, -0.0002928900000000 ] - [ 0.0002935200000000, -0.0000037600000000, -0.0003045700000000 ] - [ 0.0025789300000000, -0.0026652200000000, -0.0072726400000000 ] - [ 0.0025705700000000, 0.0026290400000000, 0.0065859100000000 ] - [ -0.0216052000000000, -0.0001266600000000, 0.0000000000000000 ] - [ 0.0049268800000000, 0.0000098500000000, 0.0000000000000000 ] - [ -0.0000563300000000, -0.0028848100000000, 0.0000000000000000 ] - [ -0.0000635800000000, 0.0028728300000000, 0.0000000000000000 ] - [ 0.0010767100000000, -0.0000040000000000, 0.0000000000000000 ] - [ -0.0003349700000000, -0.0000033600000000, 0.0000000000000000 ] - [ 0.0000474800000000, 0.0002176300000000, 0.0000000000000000 ] - [ 0.0000473500000000, -0.0002257500000000, 0.0000000000000000 ] - [ 0.0050571500000000, -0.0000113900000000, -0.0000410500000000 ] - [ -0.0028717600000000, -0.0000012300000000, -0.0000140700000000 ] - [ -0.0000223000000000, 0.0016466500000000, -0.0011843000000000 ] - [ -0.0000203000000000, -0.0016341800000000, 0.0011725700000000 ] - [ 0.0050571500000000, -0.0000113900000000, 0.0000410500000000 ] - [ -0.0028717600000000, -0.0000012300000000, 0.0000140700000000 ] - [ -0.0000223000000000, 0.0016466500000000, 0.0011843000000000 ] - [ -0.0000203000000000, -0.0016341800000000, -0.0011725700000000 ] - [ -0.0008462900000000, 0.0001957000000000, 0.0006758400000000 ] - [ 0.0002888800000000, 0.0001920000000000, 0.0006743200000000 ] - [ 0.0000250200000000, 0.0000900100000000, 0.0005981900000000 ] - [ 0.0000241500000000, 0.0002963700000000, 0.0007500100000000 ] - [ -0.0003893300000000, -0.0000124600000000, 0.0006586200000000 ] - [ 0.0000310000000000, -0.0001500700000000, 0.0006657100000000 ] - [ -0.0001024100000000, -0.0003002400000000, 0.0005829900000000 ] - [ 0.0001434200000000, 0.0005720100000000, 0.0010718300000000 ] - [ -0.0000564100000000, -0.0001806800000000, 0.0006892400000000 ] - [ 0.0003639400000000, -0.0000443900000000, 0.0006827800000000 ] - [ 0.0004754300000000, -0.0007625200000000, 0.0002831900000000 ] - [ 0.0002287600000000, 0.0001091700000000, 0.0007652300000000 ] - [ -0.0000142900000000, -0.0003296600000000, -0.0005808400000000 ] - [ -0.0000149700000000, -0.0000576800000000, -0.0007673700000000 ] - [ 0.0001147700000000, -0.0001955900000000, -0.0006730900000000 ] - [ -0.0015125900000000, -0.0001772600000000, -0.0006506400000000 ] - [ 0.0035772600000000, 0.0029531000000000, -0.0034259700000000 ] - [ -0.0001179900000000, -0.0001712700000000, -0.0009224500000000 ] - [ 0.0004102700000000, 0.0001699000000000, -0.0005346300000000 ] - [ -0.0000970100000000, 0.0000642200000000, -0.0008289900000000 ] - [ -0.0004523300000000, 0.0003667700000000, -0.0004251000000000 ] - [ 0.0031984800000000, -0.0027057900000000, 0.0019598100000000 ] - [ 0.0000731600000000, 0.0000229400000000, -0.0008133200000000 ] - [ -0.0004335900000000, 0.0001278200000000, -0.0005185300000000 ] - [ -0.0000142900000000, -0.0003296600000000, 0.0005808400000000 ] - [ -0.0000149700000000, -0.0000576800000000, 0.0007673700000000 ] - [ 0.0001147700000000, -0.0001955900000000, 0.0006730900000000 ] - [ -0.0015125900000000, -0.0001772600000000, 0.0006506400000000 ] - [ 0.0035772600000000, 0.0029531000000000, 0.0034259700000000 ] - [ -0.0001179900000000, -0.0001712700000000, 0.0009224500000000 ] - [ 0.0004102700000000, 0.0001699000000000, 0.0005346300000000 ] - [ -0.0000970100000000, 0.0000642200000000, 0.0008289900000000 ] - [ -0.0004523300000000, 0.0003667700000000, 0.0004251000000000 ] - [ 0.0031984800000000, -0.0027057900000000, -0.0019598100000000 ] - [ 0.0000731600000000, 0.0000229400000000, 0.0008133200000000 ] - [ -0.0004335900000000, 0.0001278200000000, 0.0005185300000000 ] - [ -0.0008462900000000, 0.0001957000000000, -0.0006758400000000 ] - [ 0.0002888800000000, 0.0001920000000000, -0.0006743200000000 ] - [ 0.0000250200000000, 0.0000900100000000, -0.0005981900000000 ] - [ 0.0000241500000000, 0.0002963700000000, -0.0007500100000000 ] - [ -0.0003893300000000, -0.0000124600000000, -0.0006586200000000 ] - [ 0.0000310000000000, -0.0001500700000000, -0.0006657100000000 ] - [ -0.0001024100000000, -0.0003002400000000, -0.0005829900000000 ] - [ 0.0001434200000000, 0.0005720100000000, -0.0010718300000000 ] - [ -0.0000564100000000, -0.0001806800000000, -0.0006892400000000 ] - [ 0.0003639400000000, -0.0000443900000000, -0.0006827800000000 ] - [ 0.0004754300000000, -0.0007625200000000, -0.0002831900000000 ] - [ 0.0002287600000000, 0.0001091700000000, -0.0007652300000000 ] - [ 0.0017848200000000, 0.0000146000000000, 0.0000000000000000 ] - [ -0.0001313700000000, -0.0000015500000000, 0.0000000000000000 ] - [ -0.0050569300000000, 0.0039682700000000, 0.0000000000000000 ] - [ -0.0050298600000000, -0.0039162300000000, 0.0000000000000000 ] - [ 0.0001329200000000, 0.0001282600000000, 0.0000000000000000 ] - [ 0.0001262000000000, -0.0001262200000000, 0.0000000000000000 ] - [ 0.0000432400000000, 0.0000012800000000, 0.0000000000000000 ] - [ -0.0000907600000000, -0.0000019800000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0063289300000000, 0.0006186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012700000000 ] - [ 0.0054810200000000, -0.0031644700000000, 0.0006186000000000 ] - [ -0.0054810200000000, -0.0031644700000000, 0.0006186000000000 ] - [ 0.0031333900000000, 0.0018090600000000, 0.0024497200000000 ] - [ -0.0031333900000000, 0.0018090600000000, 0.0024497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001278000000000 ] - [ 0.0000000000000000, -0.0036181300000000, 0.0024497200000000 ] - [ -0.0031240400000000, -0.0018036700000000, 0.0030452900000000 ] - [ 0.0031240400000000, -0.0018036700000000, 0.0030452900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007279900000000 ] - [ 0.0000000000000000, 0.0036073300000000, 0.0030452900000000 ] - [ 0.0000000000000000, -0.0063009600000000, 0.0000240800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006938000000000 ] - [ -0.0054567900000000, 0.0031504800000000, 0.0000240800000000 ] - [ 0.0054567900000000, 0.0031504800000000, 0.0000240800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1318697900000000 ] - [ 0.0000000000000000, -0.0000030800000000, -0.0021619700000000 ] - [ 0.0000026600000000, 0.0000015400000000, -0.0021619700000000 ] - [ -0.0000026600000000, 0.0000015400000000, -0.0021619700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060716300000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0019916700000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0019916700000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0019916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376715000000000 ] - [ 0.0000000000000000, -0.0000014800000000, 0.0000011200000000 ] - [ 0.0000012800000000, 0.0000007400000000, 0.0000011200000000 ] - [ -0.0000012800000000, 0.0000007400000000, 0.0000011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0358640600000000 ] - [ 0.0000000000000000, 0.0000091000000000, -0.0000163400000000 ] - [ -0.0000078800000000, -0.0000045500000000, -0.0000163400000000 ] - [ 0.0000078800000000, -0.0000045500000000, -0.0000163400000000 ] - [ 0.0000000000000000, 0.0006935400000000, 0.0002071600000000 ] - [ 0.0000000000000000, 0.0002863000000000, 0.0005366500000000 ] - [ 0.0000242900000000, 0.0001698000000000, 0.0005165900000000 ] - [ -0.0000242900000000, 0.0001698000000000, 0.0005165900000000 ] - [ -0.0001592000000000, -0.0000638600000000, 0.0005165900000000 ] - [ -0.0002479400000000, -0.0001431500000000, 0.0005366500000000 ] - [ -0.0001349100000000, -0.0001059400000000, 0.0005165900000000 ] - [ -0.0006006200000000, -0.0003467700000000, 0.0002071600000000 ] - [ 0.0001592000000000, -0.0000638600000000, 0.0005165900000000 ] - [ 0.0002479400000000, -0.0001431500000000, 0.0005366500000000 ] - [ 0.0006006200000000, -0.0003467700000000, 0.0002071600000000 ] - [ 0.0001349100000000, -0.0001059400000000, 0.0005165900000000 ] - [ 0.0000638300000000, -0.0000175800000000, -0.0005667400000000 ] - [ -0.0000638300000000, -0.0000175800000000, -0.0005667400000000 ] - [ 0.0000000000000000, -0.0003034200000000, -0.0005317700000000 ] - [ 0.0000000000000000, 0.0022771400000000, 0.0046845100000000 ] - [ -0.0019720600000000, -0.0011385700000000, 0.0046845100000000 ] - [ -0.0000166900000000, 0.0000640700000000, -0.0005667400000000 ] - [ 0.0002627700000000, 0.0001517100000000, -0.0005317700000000 ] - [ 0.0000471400000000, -0.0000464900000000, -0.0005667400000000 ] - [ 0.0000166900000000, 0.0000640700000000, -0.0005667400000000 ] - [ 0.0019720600000000, -0.0011385700000000, 0.0046845100000000 ] - [ -0.0002627700000000, 0.0001517100000000, -0.0005317700000000 ] - [ -0.0000471400000000, -0.0000464900000000, -0.0005667400000000 ] - [ -0.0000644400000000, -0.0003790200000000, 0.0007728200000000 ] - [ 0.0000644400000000, -0.0003790200000000, 0.0007728200000000 ] - [ 0.0000000000000000, -0.0000907000000000, 0.0008087300000000 ] - [ 0.0000000000000000, -0.0028041900000000, 0.0062014000000000 ] - [ 0.0024285000000000, 0.0014021000000000, 0.0062014000000000 ] - [ 0.0003604600000000, 0.0001337000000000, 0.0007728200000000 ] - [ 0.0000785500000000, 0.0000453500000000, 0.0008087300000000 ] - [ 0.0002960200000000, 0.0002453200000000, 0.0007728200000000 ] - [ -0.0003604600000000, 0.0001337000000000, 0.0007728200000000 ] - [ -0.0024285000000000, 0.0014021000000000, 0.0062014000000000 ] - [ -0.0000785500000000, 0.0000453500000000, 0.0008087300000000 ] - [ -0.0002960200000000, 0.0002453200000000, 0.0007728200000000 ] - [ 0.0000000000000000, -0.0002710700000000, -0.0011537100000000 ] - [ 0.0000000000000000, 0.0001101300000000, -0.0008034600000000 ] - [ -0.0000233200000000, 0.0002263500000000, -0.0008237700000000 ] - [ 0.0000233200000000, 0.0002263500000000, -0.0008237700000000 ] - [ -0.0001843700000000, -0.0001333700000000, -0.0008237700000000 ] - [ -0.0000953700000000, -0.0000550600000000, -0.0008034600000000 ] - [ -0.0002076900000000, -0.0000929800000000, -0.0008237700000000 ] - [ 0.0002347600000000, 0.0001355400000000, -0.0011537100000000 ] - [ 0.0001843700000000, -0.0001333700000000, -0.0008237700000000 ] - [ 0.0000953700000000, -0.0000550600000000, -0.0008034600000000 ] - [ -0.0002347600000000, 0.0001355400000000, -0.0011537100000000 ] - [ 0.0002076900000000, -0.0000929800000000, -0.0008237700000000 ] - [ 0.0000000000000000, 0.0000060300000000, 0.0036543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010812400000000 ] - [ 0.0000052200000000, -0.0000030200000000, 0.0036543200000000 ] - [ -0.0000052200000000, -0.0000030200000000, 0.0036543200000000 ] - [ -0.0000033400000000, -0.0000019300000000, -0.0019697400000000 ] - [ 0.0000033400000000, -0.0000019300000000, -0.0019697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010315500000000 ] - [ 0.0000000000000000, 0.0000038500000000, -0.0019697400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048566500000000, 0.0001013500000000, 0.0003056200000000 ] - [ -0.0007481300000000, -0.0000348000000000, 0.0002997200000000 ] - [ 0.0048860500000000, 0.0000515700000000, -0.0016664200000000 ] - [ 0.0042271400000000, -0.0002954400000000, 0.0021415100000000 ] - [ 0.0048860500000000, -0.0000515700000000, 0.0016664200000000 ] - [ 0.0042271400000000, 0.0002954400000000, -0.0021415100000000 ] - [ -0.0007481300000000, 0.0000348000000000, -0.0002997200000000 ] - [ 0.0048566500000000, -0.0001013500000000, -0.0003056200000000 ] - [ 0.0003180800000000, 0.0001357200000000, -0.0019474600000000 ] - [ 0.0002991800000000, -0.0001290400000000, 0.0025430700000000 ] - [ -0.0001015900000000, 0.0000091000000000, 0.0002998300000000 ] - [ 0.0000814900000000, 0.0000036300000000, 0.0003199100000000 ] - [ 0.0000814900000000, -0.0000036300000000, -0.0003199100000000 ] - [ -0.0001015900000000, -0.0000091000000000, -0.0002998300000000 ] - [ 0.0003180800000000, -0.0001357200000000, 0.0019474600000000 ] - [ 0.0002991800000000, 0.0001290400000000, -0.0025430700000000 ] - [ 0.0050618200000000, -0.0000277200000000, -0.0000636000000000 ] - [ -0.0028669600000000, 0.0000074300000000, 0.0000203100000000 ] - [ -0.0000307300000000, 0.0016526000000000, 0.0000051000000000 ] - [ -0.0000165100000000, -0.0016338300000000, -0.0000062000000000 ] - [ 0.0050618200000000, 0.0000277200000000, 0.0000636000000000 ] - [ -0.0028669600000000, -0.0000074300000000, -0.0000203100000000 ] - [ -0.0000165100000000, 0.0016338300000000, 0.0000062000000000 ] - [ -0.0000307300000000, -0.0016526000000000, -0.0000051000000000 ] - [ -0.3416152800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0276100300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0038898200000000, -0.0136916100000000, 0.0025410400000000 ] - [ 0.0038898200000000, 0.0136916100000000, -0.0025410400000000 ] - [ -0.0020880300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035482600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000452500000000, -0.0020211400000000, -0.0016260800000000 ] - [ 0.0000452500000000, 0.0020211400000000, 0.0016260800000000 ] - [ 0.0002066700000000, 0.0001961000000000, 0.0006721800000000 ] - [ -0.0003228500000000, 0.0001966000000000, 0.0006738500000000 ] - [ -0.0000106500000000, 0.0002296000000000, 0.0007393100000000 ] - [ -0.0000104800000000, 0.0001637700000000, 0.0006045800000000 ] - [ 0.0000989800000000, -0.0001353300000000, 0.0007183800000000 ] - [ -0.0004779000000000, -0.0000893200000000, 0.0005508600000000 ] - [ -0.0001022400000000, 0.0001456000000000, 0.0007859900000000 ] - [ -0.0002163000000000, -0.0002439800000000, 0.0005994900000000 ] - [ 0.0004371200000000, -0.0000593900000000, 0.0006261200000000 ] - [ -0.0001393400000000, -0.0001054900000000, 0.0007938900000000 ] - [ 0.0001223500000000, 0.0000488100000000, 0.0007437800000000 ] - [ 0.0002369000000000, -0.0003420600000000, 0.0005590000000000 ] - [ -0.0000106500000000, -0.0002296000000000, -0.0007393100000000 ] - [ -0.0000104800000000, -0.0001637700000000, -0.0006045800000000 ] - [ -0.0003228500000000, -0.0001966000000000, -0.0006738500000000 ] - [ 0.0002066700000000, -0.0001961000000000, -0.0006721800000000 ] - [ 0.0001223500000000, -0.0000488100000000, -0.0007437800000000 ] - [ 0.0002369000000000, 0.0003420600000000, -0.0005590000000000 ] - [ -0.0001393400000000, 0.0001054900000000, -0.0007938900000000 ] - [ 0.0004371200000000, 0.0000593900000000, -0.0006261200000000 ] - [ -0.0001022400000000, -0.0001456000000000, -0.0007859900000000 ] - [ -0.0002163000000000, 0.0002439800000000, -0.0005994900000000 ] - [ -0.0004779000000000, 0.0000893200000000, -0.0005508600000000 ] - [ 0.0000989800000000, 0.0001353300000000, -0.0007183800000000 ] - [ -0.0001704600000000, 0.0005526500000000, 0.0015653900000000 ] - [ -0.0001741400000000, -0.0009384700000000, -0.0002355600000000 ] - [ -0.0008764700000000, -0.0002001900000000, 0.0006683000000000 ] - [ 0.0143998100000000, 0.0000475100000000, 0.0008302700000000 ] - [ 0.0564957400000000, 0.0244639500000000, -0.0306292400000000 ] - [ 0.0017950800000000, 0.0017462500000000, -0.0013378900000000 ] - [ -0.0002119500000000, 0.0003856600000000, 0.0007686700000000 ] - [ 0.0016833900000000, 0.0004736700000000, -0.0004254600000000 ] - [ 0.0014870000000000, -0.0015355200000000, 0.0026525300000000 ] - [ 0.0548819100000000, -0.0232227400000000, 0.0304696500000000 ] - [ -0.0005471800000000, -0.0001883400000000, 0.0005739000000000 ] - [ 0.0013359100000000, -0.0002806600000000, 0.0017643700000000 ] - [ 0.0143998100000000, -0.0000475100000000, -0.0008302700000000 ] - [ -0.0008764700000000, 0.0002001900000000, -0.0006683000000000 ] - [ -0.0001704600000000, -0.0005526500000000, -0.0015653900000000 ] - [ -0.0001741400000000, 0.0009384700000000, 0.0002355600000000 ] - [ 0.0013359100000000, 0.0002806600000000, -0.0017643700000000 ] - [ -0.0005471800000000, 0.0001883400000000, -0.0005739000000000 ] - [ 0.0014870000000000, 0.0015355200000000, -0.0026525300000000 ] - [ 0.0548819100000000, 0.0232227400000000, -0.0304696500000000 ] - [ 0.0016833900000000, -0.0004736700000000, 0.0004254600000000 ] - [ -0.0002119500000000, -0.0003856600000000, -0.0007686700000000 ] - [ 0.0564957400000000, -0.0244639500000000, 0.0306292400000000 ] - [ 0.0017950800000000, -0.0017462500000000, 0.0013378900000000 ] - [ 0.0002013400000000, -0.0000288300000000, 0.0000257100000000 ] - [ 0.0000314500000000, 0.0000065300000000, -0.0000037900000000 ] - [ 0.0031033000000000, -0.0016862100000000, -0.0041816900000000 ] - [ 0.0031139700000000, 0.0016709000000000, 0.0041537400000000 ] - [ 0.0031033000000000, 0.0016862100000000, 0.0041816900000000 ] - [ 0.0031139700000000, -0.0016709000000000, -0.0041537400000000 ] - [ 0.0000314500000000, -0.0000065300000000, 0.0000037900000000 ] - [ 0.0002013400000000, 0.0000288300000000, -0.0000257100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0003943000000000, 0.0069227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008881600000000 ] - [ -0.0003414800000000, 0.0001971500000000, 0.0069227600000000 ] - [ 0.0003414800000000, 0.0001971500000000, 0.0069227600000000 ] - [ 0.0005197000000000, 0.0003000500000000, 0.0065013100000000 ] - [ -0.0005197000000000, 0.0003000500000000, 0.0065013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733600000000 ] - [ 0.0000000000000000, -0.0006001000000000, 0.0065013100000000 ] - [ 0.0000506200000000, 0.0000292300000000, -0.0025675300000000 ] - [ -0.0000506200000000, 0.0000292300000000, -0.0025675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001757600000000 ] - [ 0.0000000000000000, -0.0000584500000000, -0.0025675300000000 ] - [ 0.0000000000000000, -0.0000921100000000, -0.0031932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008206800000000 ] - [ -0.0000797700000000, 0.0000460600000000, -0.0031932400000000 ] - [ 0.0000797700000000, 0.0000460600000000, -0.0031932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0358262500000000 ] - [ 0.0000000000000000, 0.0013500300000000, -0.0000438500000000 ] - [ -0.0011691600000000, -0.0006750200000000, -0.0000438500000000 ] - [ 0.0011691600000000, -0.0006750200000000, -0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376888600000000 ] - [ 0.0000000000000000, 0.0013774700000000, 0.0000222400000000 ] - [ -0.0011929200000000, -0.0006887300000000, 0.0000222400000000 ] - [ 0.0011929200000000, -0.0006887300000000, 0.0000222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3814326400000000 ] - [ 0.0000000000000000, -0.0029376300000000, -0.0045872900000000 ] - [ 0.0025440600000000, 0.0014688100000000, -0.0045872900000000 ] - [ -0.0025440600000000, 0.0014688100000000, -0.0045872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0203048900000000 ] - [ 0.0000000000000000, -0.0018723400000000, 0.0039099900000000 ] - [ 0.0016215000000000, 0.0009361700000000, 0.0039099900000000 ] - [ -0.0016215000000000, 0.0009361700000000, 0.0039099900000000 ] - [ 0.0000000000000000, -0.0016412900000000, 0.0005835400000000 ] - [ 0.0000000000000000, -0.0003739700000000, 0.0009000100000000 ] - [ -0.0001497000000000, -0.0001477100000000, 0.0006608300000000 ] - [ 0.0001497000000000, -0.0001477100000000, 0.0006608300000000 ] - [ 0.0002027700000000, -0.0000557900000000, 0.0006608300000000 ] - [ 0.0003238700000000, 0.0001869900000000, 0.0009000100000000 ] - [ 0.0000530700000000, 0.0002035000000000, 0.0006608300000000 ] - [ 0.0014213900000000, 0.0008206400000000, 0.0005835400000000 ] - [ -0.0002027700000000, -0.0000557900000000, 0.0006608300000000 ] - [ -0.0003238700000000, 0.0001869900000000, 0.0009000100000000 ] - [ -0.0014213900000000, 0.0008206400000000, 0.0005835400000000 ] - [ -0.0000530700000000, 0.0002035000000000, 0.0006608300000000 ] - [ 0.0001516300000000, -0.0005412600000000, -0.0006799100000000 ] - [ -0.0001516300000000, -0.0005412600000000, -0.0006799100000000 ] - [ 0.0000000000000000, -0.0007664200000000, -0.0004453900000000 ] - [ 0.0000000000000000, -0.0020410900000000, -0.0007707800000000 ] - [ 0.0017676400000000, 0.0010205500000000, -0.0007707800000000 ] - [ 0.0003929400000000, 0.0004019400000000, -0.0006799100000000 ] - [ 0.0006637400000000, 0.0003832100000000, -0.0004453900000000 ] - [ 0.0005445600000000, 0.0001393200000000, -0.0006799100000000 ] - [ -0.0003929400000000, 0.0004019400000000, -0.0006799100000000 ] - [ -0.0017676400000000, 0.0010205500000000, -0.0007707800000000 ] - [ -0.0006637400000000, 0.0003832100000000, -0.0004453900000000 ] - [ -0.0005445600000000, 0.0001393200000000, -0.0006799100000000 ] - [ 0.0003469400000000, -0.0002670900000000, 0.0008725400000000 ] - [ -0.0003469400000000, -0.0002670900000000, 0.0008725400000000 ] - [ 0.0000000000000000, -0.0006452500000000, 0.0005470600000000 ] - [ 0.0000000000000000, 0.0354906000000000, 0.0412418400000000 ] - [ -0.0307357600000000, -0.0177453000000000, 0.0412418400000000 ] - [ 0.0000578400000000, 0.0004340000000000, 0.0008725400000000 ] - [ 0.0005588000000000, 0.0003226200000000, 0.0005470600000000 ] - [ 0.0004047800000000, -0.0001669100000000, 0.0008725400000000 ] - [ -0.0000578400000000, 0.0004340000000000, 0.0008725400000000 ] - [ 0.0307357600000000, -0.0177453000000000, 0.0412418400000000 ] - [ -0.0005588000000000, 0.0003226200000000, 0.0005470600000000 ] - [ -0.0004047800000000, -0.0001669100000000, 0.0008725400000000 ] - [ 0.0000000000000000, 0.0371628000000000, 0.0405001300000000 ] - [ 0.0000000000000000, -0.0002570400000000, -0.0008038700000000 ] - [ -0.0003464800000000, 0.0001344000000000, -0.0004740000000000 ] - [ 0.0003464800000000, 0.0001344000000000, -0.0004740000000000 ] - [ 0.0000568400000000, -0.0003672600000000, -0.0004740000000000 ] - [ 0.0002226000000000, 0.0001285200000000, -0.0008038700000000 ] - [ -0.0002896400000000, 0.0002328600000000, -0.0004740000000000 ] - [ -0.0321839300000000, -0.0185814000000000, 0.0405001300000000 ] - [ -0.0000568400000000, -0.0003672600000000, -0.0004740000000000 ] - [ -0.0002226000000000, 0.0001285200000000, -0.0008038700000000 ] - [ 0.0321839300000000, -0.0185814000000000, 0.0405001300000000 ] - [ 0.0002896400000000, 0.0002328600000000, -0.0004740000000000 ] - [ 0.0000000000000000, -0.0043541100000000, 0.0031468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001014400000000 ] - [ -0.0037707700000000, 0.0021770500000000, 0.0031468400000000 ] - [ 0.0037707700000000, 0.0021770500000000, 0.0031468400000000 ] - [ 0.0038230400000000, 0.0022072400000000, 0.0031353400000000 ] - [ -0.0038230400000000, 0.0022072400000000, 0.0031353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000719300000000 ] - [ 0.0000000000000000, -0.0044144700000000, 0.0031353400000000 ]- atom: 33 displacement: [ -0.0050000000054794, 0.0086602540346808, 0.0000000000000000 ] forces: - [ 0.0000038200000000, -0.0000105300000000, 0.0005477500000000 ] - [ 0.0000082500000000, -0.0000214100000000, 0.0003200200000000 ] - [ 0.0000380700000000, -0.0000154100000000, 0.0004824700000000 ] - [ 0.0000121100000000, 0.0000060200000000, 0.0007212300000000 ] - [ -0.0000069800000000, 0.0000448900000000, 0.0001024100000000 ] - [ 0.0000083600000000, 0.0000338400000000, 0.0000223300000000 ] - [ -0.0000167200000000, -0.0000197900000000, -0.0002458200000000 ] - [ 0.0000095900000000, 0.0000026300000000, -0.0002827500000000 ] - [ -0.0011252400000000, 0.0006444100000000, -0.0011118100000000 ] - [ -0.0010859200000000, 0.0009920300000000, -0.0010172400000000 ] - [ -0.0000633300000000, -0.0003934100000000, 0.0002947600000000 ] - [ 0.0002605100000000, -0.0004295800000000, -0.0000471300000000 ] - [ 0.0006537200000000, 0.0034677400000000, 0.0015992500000000 ] - [ 0.0000088600000000, 0.0002109300000000, -0.0003494700000000 ] - [ 0.0003163000000000, -0.0002685800000000, -0.0006295900000000 ] - [ -0.0008732600000000, -0.0003708200000000, -0.0009286100000000 ] - [ 0.0004181100000000, 0.0006123100000000, 0.0004212800000000 ] - [ -0.0001518600000000, 0.0001502200000000, 0.0000776000000000 ] - [ -0.0001097900000000, 0.0000180900000000, -0.0000422100000000 ] - [ 0.0000701700000000, -0.0002065700000000, -0.0000131900000000 ] - [ 0.0007350900000000, 0.0043170200000000, 0.0021490200000000 ] - [ -0.0000445300000000, 0.0002433100000000, -0.0000876000000000 ] - [ 0.0001301800000000, -0.0002615200000000, 0.0001940000000000 ] - [ -0.0001050300000000, -0.0003700600000000, 0.0001242000000000 ] - [ -0.0000970300000000, -0.0001135700000000, -0.0015791300000000 ] - [ 0.0001526300000000, -0.0002617700000000, -0.0005026200000000 ] - [ 0.0000431200000000, 0.0000985500000000, -0.0002156900000000 ] - [ -0.0000189200000000, 0.0002961600000000, -0.0003716200000000 ] - [ -0.0073839100000000, 0.0593874300000000, -0.0306944400000000 ] - [ 0.0004303000000000, -0.0001790800000000, 0.0003901900000000 ] - [ -0.0005892300000000, 0.0016199700000000, -0.0001315900000000 ] - [ 0.0007432500000000, 0.0021664800000000, 0.0002297300000000 ] - [ 0.0057371900000000, -0.0781293900000000, 0.0384534200000000 ] - [ -0.0000247800000000, 0.0001274200000000, 0.0007189200000000 ] - [ 0.0000259100000000, 0.0001975700000000, 0.0006108700000000 ] - [ -0.0000775000000000, 0.0002549500000000, 0.0005366500000000 ] - [ 0.0007729100000000, 0.0008144000000000, 0.0011051300000000 ] - [ -0.0001797600000000, -0.0000920900000000, 0.0007028500000000 ] - [ -0.0001799700000000, -0.0000419400000000, 0.0007305100000000 ] - [ 0.0004207100000000, -0.0002003600000000, 0.0001692600000000 ] - [ -0.0011076800000000, 0.0016806100000000, 0.0011646700000000 ] - [ 0.0001250600000000, -0.0001212000000000, 0.0007051300000000 ] - [ -0.0000318500000000, 0.0016770600000000, -0.0002127800000000 ] - [ 0.0001667800000000, -0.0000959700000000, 0.0006563100000000 ] - [ -0.0002756800000000, -0.0004197400000000, -0.0008223100000000 ] - [ 0.0005466600000000, -0.0008938200000000, -0.0008813300000000 ] - [ -0.0000273000000000, -0.0002415700000000, -0.0006642500000000 ] - [ 0.0009437500000000, 0.0053104900000000, -0.0066685500000000 ] - [ 0.0005144000000000, -0.0002055200000000, -0.0012907000000000 ] - [ 0.0001897300000000, 0.0001552500000000, -0.0006701000000000 ] - [ 0.0001907900000000, 0.0001243600000000, -0.0006306900000000 ] - [ 0.0005054400000000, 0.0001189700000000, -0.0003240000000000 ] - [ -0.0002023800000000, 0.0000937300000000, -0.0007113300000000 ] - [ -0.0000774400000000, -0.0018177100000000, 0.0004110300000000 ] - [ -0.0002296900000000, 0.0000776800000000, -0.0006440400000000 ] - [ -0.0003580500000000, -0.0000537800000000, -0.0003539300000000 ] - [ 0.0000061400000000, -0.0002258600000000, 0.0006795900000000 ] - [ -0.0000075000000000, -0.0002185900000000, 0.0006716500000000 ] - [ -0.0000072000000000, -0.0002690200000000, 0.0006522100000000 ] - [ 0.0000044900000000, -0.0004267100000000, 0.0006085600000000 ] - [ 0.0002545200000000, 0.0001695700000000, 0.0006919900000000 ] - [ 0.0001977700000000, 0.0001486100000000, 0.0006649300000000 ] - [ 0.0001978800000000, 0.0001106800000000, 0.0006674700000000 ] - [ 0.0002113100000000, 0.0000938000000000, 0.0006639600000000 ] - [ -0.0001939300000000, 0.0001335600000000, 0.0006799700000000 ] - [ -0.0002733300000000, 0.0001856500000000, 0.0006872000000000 ] - [ -0.0002265200000000, 0.0001143500000000, 0.0006506100000000 ] - [ -0.0001864900000000, 0.0000950500000000, 0.0006785300000000 ] - [ 0.0000477200000000, -0.0000617200000000, -0.0008150800000000 ] - [ -0.0000040400000000, 0.0001115100000000, -0.0007019100000000 ] - [ -0.0000089900000000, 0.0001813200000000, -0.0006715900000000 ] - [ 0.0000015900000000, 0.0001750700000000, -0.0006621800000000 ] - [ -0.0001343300000000, -0.0001016400000000, -0.0006675000000000 ] - [ -0.0001409700000000, -0.0000806000000000, -0.0006856200000000 ] - [ -0.0001409700000000, -0.0000531000000000, -0.0006682200000000 ] - [ -0.0001105200000000, -0.0000357500000000, -0.0006125100000000 ] - [ 0.0001539300000000, -0.0001017100000000, -0.0006690700000000 ] - [ 0.0001147900000000, -0.0000775600000000, -0.0007058100000000 ] - [ 0.0000849700000000, 0.0000244400000000, -0.0006654100000000 ] - [ 0.0001381600000000, -0.0000634700000000, -0.0006642900000000 ] - [ -0.0000166800000000, -0.0002512700000000, -0.0002195900000000 ] - [ -0.0000106200000000, -0.0000756500000000, 0.0000417700000000 ] - [ -0.0002610100000000, 0.0000969800000000, -0.0000984700000000 ] - [ 0.0006369100000000, 0.0002647100000000, -0.0005155700000000 ] - [ 0.0006220300000000, 0.0002422300000000, -0.0003619700000000 ] - [ -0.0007065200000000, 0.0000013900000000, -0.0002073100000000 ] - [ 0.0000082400000000, 0.0000773500000000, -0.0000207500000000 ] - [ 0.0000112000000000, 0.0001070600000000, 0.0000579200000000 ]- atom: 33 displacement: [ 0.0050000000054794, -0.0086602540346808, 0.0000000000000000 ] forces: - [ 0.0000141800000000, 0.0000032400000000, 0.0000634900000000 ] - [ 0.0000076100000000, 0.0000093800000000, 0.0002900600000000 ] - [ -0.0000176000000000, 0.0000084100000000, 0.0001351300000000 ] - [ 0.0000045000000000, -0.0000173200000000, -0.0001065700000000 ] - [ -0.0000105900000000, -0.0000349500000000, -0.0007336400000000 ] - [ -0.0000252200000000, -0.0000186500000000, -0.0006308600000000 ] - [ 0.0000028200000000, 0.0000239600000000, -0.0003698500000000 ] - [ -0.0000235500000000, 0.0000086200000000, -0.0003350500000000 ] - [ 0.0011605900000000, -0.0006130700000000, 0.0017662300000000 ] - [ 0.0010593400000000, -0.0009631200000000, 0.0016428000000000 ] - [ 0.0000402100000000, 0.0003950900000000, 0.0003221100000000 ] - [ -0.0002757700000000, 0.0004230100000000, 0.0006713800000000 ] - [ -0.0006455000000000, -0.0034354300000000, -0.0021439700000000 ] - [ 0.0000108900000000, -0.0002154600000000, -0.0002737200000000 ] - [ -0.0002906300000000, 0.0002502200000000, 0.0000197400000000 ] - [ 0.0008788100000000, 0.0003570100000000, 0.0003115200000000 ] - [ -0.0004283900000000, -0.0005930100000000, -0.0004117900000000 ] - [ 0.0001371200000000, -0.0001390700000000, -0.0000776500000000 ] - [ 0.0000955700000000, -0.0000121200000000, 0.0000321600000000 ] - [ -0.0000812000000000, 0.0002171400000000, 0.0000105700000000 ] - [ -0.0007788900000000, -0.0043792500000000, -0.0022439100000000 ] - [ 0.0000700500000000, -0.0002525500000000, 0.0001003200000000 ] - [ -0.0001186000000000, 0.0002510700000000, -0.0001814400000000 ] - [ 0.0001164900000000, 0.0003689900000000, -0.0001208200000000 ] - [ 0.0001066700000000, 0.0001115500000000, 0.0016072600000000 ] - [ -0.0001711800000000, 0.0002675100000000, 0.0004868300000000 ] - [ -0.0000285200000000, -0.0000952000000000, 0.0002289900000000 ] - [ 0.0000242600000000, -0.0002973600000000, 0.0003763100000000 ] - [ 0.0070107300000000, -0.0608802200000000, 0.0322028700000000 ] - [ -0.0004464700000000, 0.0001875700000000, -0.0004016300000000 ] - [ 0.0005298200000000, -0.0015277700000000, 0.0000995600000000 ] - [ -0.0007143700000000, -0.0021591500000000, -0.0002354000000000 ] - [ -0.0052465100000000, 0.0798792400000000, -0.0386863500000000 ] - [ 0.0000245800000000, 0.0002647400000000, 0.0006261200000000 ] - [ -0.0000232500000000, 0.0001966200000000, 0.0007287300000000 ] - [ 0.0000757300000000, 0.0001392700000000, 0.0008069800000000 ] - [ -0.0011104400000000, -0.0010119900000000, 0.0002370600000000 ] - [ -0.0001590900000000, -0.0001064000000000, 0.0006411500000000 ] - [ -0.0001602200000000, -0.0001548100000000, 0.0006129600000000 ] - [ -0.0007659800000000, 0.0000266400000000, 0.0011716200000000 ] - [ 0.0014141000000000, -0.0018273300000000, 0.0001910300000000 ] - [ 0.0002133400000000, -0.0000753100000000, 0.0006380800000000 ] - [ 0.0003643500000000, -0.0019033600000000, 0.0015827600000000 ] - [ 0.0001695800000000, -0.0000987400000000, 0.0006899600000000 ] - [ 0.0002751100000000, 0.0000264500000000, -0.0005205400000000 ] - [ -0.0005382500000000, 0.0004976700000000, -0.0004694200000000 ] - [ 0.0000273000000000, -0.0001508700000000, -0.0006798800000000 ] - [ -0.0009119000000000, -0.0057269400000000, 0.0053019400000000 ] - [ -0.0001856600000000, 0.0004204500000000, -0.0000557100000000 ] - [ 0.0001479200000000, 0.0000385600000000, -0.0006746600000000 ] - [ 0.0001489400000000, 0.0000701400000000, -0.0007123900000000 ] - [ -0.0001660200000000, 0.0000773700000000, -0.0010174300000000 ] - [ -0.0001348000000000, 0.0001009400000000, -0.0006330800000000 ] - [ -0.0002701200000000, 0.0020179900000000, -0.0017436200000000 ] - [ -0.0001089600000000, 0.0001168000000000, -0.0006990900000000 ] - [ 0.0000146000000000, 0.0002463600000000, -0.0009805800000000 ] - [ -0.0000068400000000, -0.0001635900000000, 0.0006666700000000 ] - [ 0.0000068800000000, -0.0001732700000000, 0.0006732100000000 ] - [ 0.0000077700000000, -0.0001226900000000, 0.0006927600000000 ] - [ -0.0000054300000000, 0.0000364300000000, 0.0007367300000000 ] - [ 0.0000839600000000, 0.0000255900000000, 0.0006518200000000 ] - [ 0.0001416500000000, 0.0000468600000000, 0.0006801000000000 ] - [ 0.0001417400000000, 0.0000850700000000, 0.0006766800000000 ] - [ 0.0001255000000000, 0.0001018400000000, 0.0006817500000000 ] - [ -0.0001440500000000, 0.0000609400000000, 0.0006653600000000 ] - [ -0.0000639600000000, 0.0000082000000000, 0.0006571700000000 ] - [ -0.0001096100000000, 0.0000793100000000, 0.0006956100000000 ] - [ -0.0001518600000000, 0.0000992000000000, 0.0006666700000000 ] - [ -0.0000491500000000, 0.0004540200000000, -0.0005288500000000 ] - [ 0.0000041200000000, 0.0002802100000000, -0.0006413500000000 ] - [ 0.0000087400000000, 0.0002090300000000, -0.0006728900000000 ] - [ -0.0000022400000000, 0.0002146700000000, -0.0006834500000000 ] - [ -0.0002056500000000, -0.0000946100000000, -0.0006769600000000 ] - [ -0.0001989900000000, -0.0001166700000000, -0.0006587800000000 ] - [ -0.0001996100000000, -0.0001445100000000, -0.0006750700000000 ] - [ -0.0002311300000000, -0.0001619300000000, -0.0007324400000000 ] - [ 0.0001836100000000, -0.0000946900000000, -0.0006755800000000 ] - [ 0.0002220000000000, -0.0001170800000000, -0.0006387800000000 ] - [ 0.0002539600000000, -0.0002218300000000, -0.0006782100000000 ] - [ 0.0001990800000000, -0.0001314800000000, -0.0006802700000000 ] - [ 0.0000186100000000, 0.0002498100000000, 0.0002243300000000 ] - [ 0.0000104600000000, 0.0000731700000000, -0.0000397300000000 ] - [ 0.0002613800000000, -0.0000957300000000, 0.0000985800000000 ] - [ -0.0006371500000000, -0.0002655400000000, 0.0005169300000000 ] - [ -0.0006480700000000, -0.0002522200000000, 0.0003820400000000 ] - [ 0.0006991900000000, -0.0000014900000000, 0.0001976300000000 ] - [ -0.0000081000000000, -0.0000758400000000, 0.0000193900000000 ] - [ -0.0000143600000000, -0.0001037600000000, -0.0000576900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000571500000000, 0.0002679800000000 ] - [ 0.0000000000000000, 0.0000251700000000, 0.0002551600000000 ] - [ 0.0000261100000000, -0.0000362600000000, 0.0002490200000000 ] - [ -0.0000261100000000, -0.0000362600000000, 0.0002490200000000 ] - [ 0.0000411700000000, 0.0000393900000000, -0.0005193000000000 ] - [ -0.0000411700000000, 0.0000393900000000, -0.0005193000000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0002620700000000 ] - [ 0.0000000000000000, -0.0000458900000000, -0.0001191300000000 ] - [ 0.0001072500000000, -0.0010024700000000, 0.0006226100000000 ] - [ -0.0001072500000000, -0.0010024700000000, 0.0006226100000000 ] - [ 0.0000000000000000, 0.0001150500000000, 0.0003016800000000 ] - [ 0.0000000000000000, 0.0004864300000000, 0.0009272400000000 ] - [ 0.0000000000000000, 0.0024559900000000, 0.0034083100000000 ] - [ 0.0000000000000000, 0.0000720500000000, -0.0003155400000000 ] - [ -0.0005355200000000, -0.0002668700000000, -0.0006078000000000 ] - [ 0.0005355200000000, -0.0002668700000000, -0.0006078000000000 ] - [ 0.0000000000000000, -0.0004485600000000, -0.0004649600000000 ] - [ 0.0000000000000000, 0.0000107300000000, -0.0001351100000000 ] - [ -0.0000768000000000, 0.0000641000000000, -0.0001508100000000 ] - [ 0.0000768000000000, 0.0000641000000000, -0.0001508100000000 ] - [ 0.0000000000000000, 0.0030187900000000, 0.0053362300000000 ] - [ 0.0000000000000000, -0.0001583300000000, 0.0001354500000000 ] - [ -0.0000936500000000, 0.0002220800000000, 0.0000949000000000 ] - [ 0.0000936500000000, 0.0002220800000000, 0.0000949000000000 ] - [ 0.0000000000000000, 0.0000982200000000, -0.0001282700000000 ] - [ 0.0000000000000000, 0.0001284000000000, 0.0002035200000000 ] - [ 0.0000692100000000, -0.0000910200000000, -0.0000007600000000 ] - [ -0.0000692100000000, -0.0000910200000000, -0.0000007600000000 ] - [ 0.0000000000000000, -0.0359274100000000, 0.0410856500000000 ] - [ 0.0000000000000000, 0.0000930700000000, -0.0001198900000000 ] - [ 0.0008984100000000, -0.0017770700000000, 0.0002042000000000 ] - [ -0.0008984100000000, -0.0017770700000000, 0.0002042000000000 ] - [ 0.0000000000000000, 0.0454541000000000, -0.0514488600000000 ] - [ 0.0000000000000000, 0.0002448600000000, 0.0006457200000000 ] - [ -0.0000770200000000, 0.0000794500000000, 0.0007931200000000 ] - [ 0.0000770200000000, 0.0000794500000000, 0.0007931200000000 ] - [ -0.0006023700000000, -0.0004134500000000, 0.0000875500000000 ] - [ -0.0002241900000000, -0.0000430500000000, 0.0006468400000000 ] - [ -0.0001972400000000, -0.0001167700000000, 0.0006464400000000 ] - [ 0.0003370200000000, 0.0006444700000000, -0.0001534600000000 ] - [ 0.0006023700000000, -0.0004134500000000, 0.0000875500000000 ] - [ 0.0002241900000000, -0.0000430500000000, 0.0006468400000000 ] - [ -0.0003370200000000, 0.0006444700000000, -0.0001534600000000 ] - [ 0.0001972400000000, -0.0001167700000000, 0.0006464400000000 ] - [ -0.0000547000000000, -0.0003996400000000, -0.0005509100000000 ] - [ 0.0000547000000000, -0.0003996400000000, -0.0005509100000000 ] - [ 0.0000000000000000, -0.0001845500000000, -0.0006723800000000 ] - [ 0.0000000000000000, -0.0070725500000000, 0.0023128500000000 ] - [ 0.0007852500000000, -0.0015192600000000, 0.0002371000000000 ] - [ 0.0001257500000000, 0.0000873700000000, -0.0006603500000000 ] - [ 0.0001637300000000, 0.0001415600000000, -0.0006602300000000 ] - [ -0.0001800800000000, -0.0000651900000000, -0.0009705300000000 ] - [ -0.0001257500000000, 0.0000873700000000, -0.0006603500000000 ] - [ -0.0007852500000000, -0.0015192600000000, 0.0002371000000000 ] - [ -0.0001637300000000, 0.0001415600000000, -0.0006602300000000 ] - [ 0.0001800800000000, -0.0000651900000000, -0.0009705300000000 ] - [ 0.0000076500000000, -0.0001959700000000, 0.0006681800000000 ] - [ -0.0000076500000000, -0.0001959700000000, 0.0006681800000000 ] - [ 0.0000000000000000, -0.0001710000000000, 0.0006692700000000 ] - [ 0.0000000000000000, -0.0001232600000000, 0.0006465000000000 ] - [ 0.0001884800000000, 0.0001030900000000, 0.0006621700000000 ] - [ 0.0001626100000000, 0.0000735700000000, 0.0006735000000000 ] - [ 0.0001591900000000, 0.0001084700000000, 0.0006732500000000 ] - [ 0.0001582600000000, 0.0001072200000000, 0.0006914900000000 ] - [ -0.0001626100000000, 0.0000735700000000, 0.0006735000000000 ] - [ -0.0001884800000000, 0.0001030900000000, 0.0006621700000000 ] - [ -0.0001591900000000, 0.0001084700000000, 0.0006732500000000 ] - [ -0.0001582600000000, 0.0001072200000000, 0.0006914900000000 ] - [ 0.0000000000000000, 0.0003505200000000, -0.0005429100000000 ] - [ 0.0000000000000000, 0.0002243800000000, -0.0006973000000000 ] - [ -0.0000096900000000, 0.0001845400000000, -0.0006884800000000 ] - [ 0.0000096900000000, 0.0001845400000000, -0.0006884800000000 ] - [ -0.0001604800000000, -0.0000950600000000, -0.0006833400000000 ] - [ -0.0001615400000000, -0.0000885400000000, -0.0006722700000000 ] - [ -0.0001781700000000, -0.0001270400000000, -0.0006714900000000 ] - [ -0.0001047700000000, -0.0001216100000000, -0.0007741500000000 ] - [ 0.0001604800000000, -0.0000950600000000, -0.0006833400000000 ] - [ 0.0001615400000000, -0.0000885400000000, -0.0006722700000000 ] - [ 0.0001047700000000, -0.0001216100000000, -0.0007741500000000 ] - [ 0.0001781700000000, -0.0001270400000000, -0.0006714900000000 ] - [ 0.0000000000000000, -0.0000516100000000, -0.0001023500000000 ] - [ 0.0000000000000000, -0.0000094800000000, 0.0000709200000000 ] - [ -0.0000147500000000, 0.0000236000000000, 0.0000811500000000 ] - [ 0.0000147500000000, 0.0000236000000000, 0.0000811500000000 ] - [ -0.0006940700000000, 0.0002098800000000, 0.0002282900000000 ] - [ 0.0006940700000000, 0.0002098800000000, 0.0002282900000000 ] - [ 0.0000000000000000, -0.0000190900000000, -0.0000600200000000 ] - [ 0.0000000000000000, -0.0000820000000000, -0.0001894900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000715800000000, 0.0003383100000000 ] - [ 0.0000000000000000, -0.0000296900000000, 0.0003450000000000 ] - [ -0.0000257800000000, 0.0000286700000000, 0.0003510400000000 ] - [ 0.0000257800000000, 0.0000286700000000, 0.0003510400000000 ] - [ -0.0000476000000000, -0.0000262800000000, -0.0000559200000000 ] - [ 0.0000476000000000, -0.0000262800000000, -0.0000559200000000 ] - [ 0.0000000000000000, 0.0000074300000000, -0.0003367400000000 ] - [ 0.0000000000000000, 0.0000546800000000, -0.0004804000000000 ] - [ -0.0000937800000000, 0.0010067700000000, -0.0000830900000000 ] - [ 0.0000937800000000, 0.0010067700000000, -0.0000830900000000 ] - [ 0.0000000000000000, -0.0001054900000000, 0.0002889300000000 ] - [ 0.0000000000000000, -0.0004994000000000, -0.0003605900000000 ] - [ 0.0000000000000000, -0.0022944800000000, -0.0038523600000000 ] - [ 0.0000000000000000, -0.0000833200000000, -0.0002812200000000 ] - [ 0.0005533900000000, 0.0002572900000000, 0.0000074800000000 ] - [ -0.0005533900000000, 0.0002572900000000, 0.0000074800000000 ] - [ 0.0000000000000000, 0.0004629300000000, 0.0004893600000000 ] - [ 0.0000000000000000, -0.0000078100000000, 0.0001385300000000 ] - [ 0.0000758500000000, -0.0000586700000000, 0.0001642600000000 ] - [ -0.0000758500000000, -0.0000586700000000, 0.0001642600000000 ] - [ 0.0000000000000000, -0.0032009700000000, -0.0055482400000000 ] - [ 0.0000000000000000, 0.0001635200000000, -0.0001394400000000 ] - [ 0.0000925800000000, -0.0002443400000000, -0.0001064800000000 ] - [ -0.0000925800000000, -0.0002443400000000, -0.0001064800000000 ] - [ 0.0000000000000000, -0.0000862600000000, 0.0000614500000000 ] - [ 0.0000000000000000, -0.0001433500000000, -0.0002339900000000 ] - [ -0.0000684800000000, 0.0000947900000000, 0.0000008600000000 ] - [ 0.0000684800000000, 0.0000947900000000, 0.0000008600000000 ] - [ 0.0000000000000000, 0.0345983900000000, -0.0406519800000000 ] - [ 0.0000000000000000, -0.0001135300000000, 0.0001371200000000 ] - [ -0.0008872300000000, 0.0017757500000000, -0.0001953000000000 ] - [ 0.0008872300000000, 0.0017757500000000, -0.0001953000000000 ] - [ 0.0000000000000000, -0.0436062700000000, 0.0526019800000000 ] - [ 0.0000000000000000, 0.0001396900000000, 0.0007063500000000 ] - [ 0.0000765900000000, 0.0003050800000000, 0.0005584100000000 ] - [ -0.0000765900000000, 0.0003050800000000, 0.0005584100000000 ] - [ 0.0002637900000000, 0.0002100800000000, 0.0012655800000000 ] - [ -0.0001075100000000, -0.0001495800000000, 0.0007046700000000 ] - [ -0.0001364600000000, -0.0000761100000000, 0.0007040900000000 ] - [ -0.0006659400000000, -0.0008484100000000, 0.0014979000000000 ] - [ -0.0002637900000000, 0.0002100800000000, 0.0012655800000000 ] - [ 0.0001075100000000, -0.0001495800000000, 0.0007046700000000 ] - [ 0.0006659400000000, -0.0008484100000000, 0.0014979000000000 ] - [ 0.0001364600000000, -0.0000761100000000, 0.0007040900000000 ] - [ 0.0000563500000000, 0.0000101500000000, -0.0007961700000000 ] - [ -0.0000563500000000, 0.0000101500000000, -0.0007961700000000 ] - [ 0.0000000000000000, -0.0002050100000000, -0.0006776800000000 ] - [ 0.0000000000000000, 0.0067465500000000, -0.0036572600000000 ] - [ -0.0004471100000000, 0.0016847800000000, -0.0015854900000000 ] - [ 0.0002094000000000, 0.0001061200000000, -0.0006900500000000 ] - [ 0.0001706500000000, 0.0000499200000000, -0.0006902500000000 ] - [ 0.0005161600000000, 0.0002585900000000, -0.0003806200000000 ] - [ -0.0002094000000000, 0.0001061200000000, -0.0006900500000000 ] - [ 0.0004471100000000, 0.0016847800000000, -0.0015854900000000 ] - [ -0.0001706500000000, 0.0000499200000000, -0.0006902500000000 ] - [ -0.0005161600000000, 0.0002585900000000, -0.0003806200000000 ] - [ -0.0000073900000000, -0.0001898000000000, 0.0006820900000000 ] - [ 0.0000073900000000, -0.0001898000000000, 0.0006820900000000 ] - [ 0.0000000000000000, -0.0002185300000000, 0.0006804200000000 ] - [ 0.0000000000000000, -0.0002727900000000, 0.0007034500000000 ] - [ 0.0001500200000000, 0.0000927200000000, 0.0006881100000000 ] - [ 0.0001726100000000, 0.0001203800000000, 0.0006767200000000 ] - [ 0.0001757000000000, 0.0000835100000000, 0.0006763100000000 ] - [ 0.0001764800000000, 0.0000843000000000, 0.0006577200000000 ] - [ -0.0001726100000000, 0.0001203800000000, 0.0006767200000000 ] - [ -0.0001500200000000, 0.0000927200000000, 0.0006881100000000 ] - [ -0.0001757000000000, 0.0000835100000000, 0.0006763100000000 ] - [ -0.0001764800000000, 0.0000843000000000, 0.0006577200000000 ] - [ 0.0000000000000000, 0.0000232300000000, -0.0008153100000000 ] - [ 0.0000000000000000, 0.0001575700000000, -0.0006535600000000 ] - [ 0.0000097600000000, 0.0002005600000000, -0.0006617000000000 ] - [ -0.0000097600000000, 0.0002005600000000, -0.0006617000000000 ] - [ -0.0001720500000000, -0.0000985300000000, -0.0006668200000000 ] - [ -0.0001710900000000, -0.0001041200000000, -0.0006792900000000 ] - [ -0.0001537500000000, -0.0000648900000000, -0.0006786800000000 ] - [ -0.0002271900000000, -0.0000673500000000, -0.0005716900000000 ] - [ 0.0001720500000000, -0.0000985300000000, -0.0006668200000000 ] - [ 0.0001710900000000, -0.0001041200000000, -0.0006792900000000 ] - [ 0.0002271900000000, -0.0000673500000000, -0.0005716900000000 ] - [ 0.0001537500000000, -0.0000648900000000, -0.0006786800000000 ] - [ 0.0000000000000000, 0.0000460600000000, 0.0000918100000000 ] - [ 0.0000000000000000, 0.0000092900000000, -0.0000746600000000 ] - [ 0.0000086300000000, -0.0000244400000000, -0.0000905100000000 ] - [ -0.0000086300000000, -0.0000244400000000, -0.0000905100000000 ] - [ 0.0007299400000000, -0.0002024400000000, -0.0002414500000000 ] - [ -0.0007299400000000, -0.0002024400000000, -0.0002414500000000 ] - [ 0.0000000000000000, 0.0000188500000000, 0.0000633900000000 ] - [ 0.0000000000000000, 0.0000812500000000, 0.0001939000000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037424800000000, -0.0000023000000000, 0.0002406300000000 ] - [ -0.0014279000000000, -0.0000056700000000, 0.0003017000000000 ] - [ -0.0000858000000000, 0.0007695500000000, 0.0000645500000000 ] - [ -0.0000873700000000, -0.0007801200000000, 0.0005407400000000 ] - [ -0.0000541500000000, 0.0008008400000000, -0.0008116600000000 ] - [ -0.0000570300000000, -0.0007885600000000, 0.0002034400000000 ] - [ 0.0013231400000000, 0.0000038400000000, -0.0003016300000000 ] - [ -0.0011749100000000, 0.0000049900000000, -0.0003046500000000 ] - [ -0.0000541500000000, 0.0008008400000000, 0.0008116600000000 ] - [ -0.0000570300000000, -0.0007885600000000, -0.0002034400000000 ] - [ 0.0013231400000000, 0.0000038400000000, 0.0003016300000000 ] - [ -0.0011749100000000, 0.0000049900000000, 0.0003046500000000 ] - [ 0.0037424800000000, -0.0000023000000000, -0.0002406300000000 ] - [ -0.0014279000000000, -0.0000056700000000, -0.0003017000000000 ] - [ -0.0000858000000000, 0.0007695500000000, -0.0000645500000000 ] - [ -0.0000873700000000, -0.0007801200000000, -0.0005407400000000 ] - [ 0.0017810400000000, -0.0000070100000000, 0.0000000000000000 ] - [ -0.0001383700000000, 0.0000047500000000, 0.0000000000000000 ] - [ -0.0050483100000000, 0.0039335500000000, 0.0000000000000000 ] - [ -0.0050503800000000, -0.0039490900000000, 0.0000000000000000 ] - [ -0.0000825400000000, -0.0000049700000000, 0.0000000000000000 ] - [ 0.0000533200000000, -0.0000022400000000, 0.0000000000000000 ] - [ 0.0001367500000000, -0.0001299400000000, 0.0000000000000000 ] - [ 0.0001379000000000, 0.0001244800000000, 0.0000000000000000 ] - [ 0.0002044300000000, 0.0000132300000000, -0.0000042100000000 ] - [ 0.0000277300000000, 0.0000024700000000, -0.0000033000000000 ] - [ 0.0031099700000000, -0.0016782700000000, -0.0037741100000000 ] - [ 0.0031135800000000, 0.0016745400000000, 0.0038010200000000 ] - [ 0.0002044300000000, 0.0000132300000000, 0.0000042100000000 ] - [ 0.0000277300000000, 0.0000024700000000, 0.0000033000000000 ] - [ 0.0031099700000000, -0.0016782700000000, 0.0037741100000000 ] - [ 0.0031135800000000, 0.0016745400000000, -0.0038010200000000 ] - [ 0.0000350300000000, 0.0001912600000000, 0.0006746200000000 ] - [ 0.0000206800000000, 0.0001942900000000, 0.0006738000000000 ] - [ -0.0003757400000000, -0.0003240200000000, 0.0006625000000000 ] - [ -0.0003766400000000, 0.0007147200000000, 0.0006847400000000 ] - [ -0.0003764300000000, -0.0002380900000000, 0.0007153100000000 ] - [ 0.0000454500000000, 0.0004124000000000, 0.0006470300000000 ] - [ -0.0002274000000000, -0.0001435500000000, 0.0006819400000000 ] - [ -0.0002551000000000, -0.0001002500000000, 0.0006593300000000 ] - [ -0.0000420300000000, 0.0000440200000000, 0.0006321100000000 ] - [ 0.0003814000000000, -0.0006060500000000, 0.0007003000000000 ] - [ 0.0000753800000000, -0.0000932100000000, 0.0006899900000000 ] - [ 0.0001078200000000, -0.0000505300000000, 0.0006658100000000 ] - [ 0.0000747500000000, 0.0005813000000000, -0.0013953100000000 ] - [ 0.0000605600000000, -0.0009639100000000, 0.0000292400000000 ] - [ -0.0000165200000000, -0.0001947600000000, -0.0006735800000000 ] - [ -0.0000257900000000, -0.0001925500000000, -0.0006750700000000 ] - [ 0.0000635300000000, -0.0002495500000000, -0.0012103500000000 ] - [ 0.0002298100000000, 0.0001421900000000, -0.0006576400000000 ] - [ 0.0005203700000000, 0.0005088900000000, -0.0004964400000000 ] - [ 0.0002523200000000, 0.0001607000000000, -0.0006031900000000 ] - [ -0.0001046800000000, 0.0000507200000000, -0.0006906500000000 ] - [ -0.0002710300000000, 0.0004399600000000, -0.0001407100000000 ] - [ 0.0001846500000000, -0.0003117700000000, -0.0008511500000000 ] - [ -0.0000818700000000, 0.0000323700000000, -0.0007449000000000 ] - [ 0.0000747500000000, 0.0005813000000000, 0.0013953100000000 ] - [ 0.0000605600000000, -0.0009639100000000, -0.0000292400000000 ] - [ -0.0000165200000000, -0.0001947600000000, 0.0006735800000000 ] - [ -0.0000257900000000, -0.0001925500000000, 0.0006750700000000 ] - [ 0.0000635300000000, -0.0002495500000000, 0.0012103500000000 ] - [ 0.0002298100000000, 0.0001421900000000, 0.0006576400000000 ] - [ 0.0005203700000000, 0.0005088900000000, 0.0004964400000000 ] - [ 0.0002523200000000, 0.0001607000000000, 0.0006031900000000 ] - [ -0.0001046800000000, 0.0000507200000000, 0.0006906500000000 ] - [ -0.0002710300000000, 0.0004399600000000, 0.0001407100000000 ] - [ 0.0001846500000000, -0.0003117700000000, 0.0008511500000000 ] - [ -0.0000818700000000, 0.0000323700000000, 0.0007449000000000 ] - [ 0.0000350300000000, 0.0001912600000000, -0.0006746200000000 ] - [ 0.0000206800000000, 0.0001942900000000, -0.0006738000000000 ] - [ -0.0003757400000000, -0.0003240200000000, -0.0006625000000000 ] - [ -0.0003766400000000, 0.0007147200000000, -0.0006847400000000 ] - [ -0.0003764300000000, -0.0002380900000000, -0.0007153100000000 ] - [ 0.0000454500000000, 0.0004124000000000, -0.0006470300000000 ] - [ -0.0002274000000000, -0.0001435500000000, -0.0006819400000000 ] - [ -0.0002551000000000, -0.0001002500000000, -0.0006593300000000 ] - [ -0.0000420300000000, 0.0000440200000000, -0.0006321100000000 ] - [ 0.0003814000000000, -0.0006060500000000, -0.0007003000000000 ] - [ 0.0000753800000000, -0.0000932100000000, -0.0006899900000000 ] - [ 0.0001078200000000, -0.0000505300000000, -0.0006658100000000 ] - [ -0.0094645200000000, -0.0000072300000000, 0.0000000000000000 ] - [ 0.0006230900000000, -0.0000007300000000, 0.0000000000000000 ] - [ 0.0000495500000000, -0.0003314400000000, 0.0000000000000000 ] - [ 0.0000504400000000, 0.0003304200000000, 0.0000000000000000 ] - [ -0.0000396900000000, -0.0002650900000000, 0.0000000000000000 ] - [ -0.0000391300000000, 0.0002650900000000, 0.0000000000000000 ] - [ -0.0004983400000000, 0.0000004900000000, 0.0000000000000000 ] - [ 0.0004638000000000, 0.0000007200000000, 0.0000000000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0253464200000000 ] - [ 0.0000000000000000, 0.0003289000000000, 0.0009295400000000 ] - [ -0.0002848400000000, -0.0001644500000000, 0.0009295400000000 ] - [ 0.0002848400000000, -0.0001644500000000, 0.0009295400000000 ] - [ -0.0004997700000000, 0.0002885400000000, -0.0012580500000000 ] - [ 0.0004997700000000, 0.0002885400000000, -0.0012580500000000 ] - [ 0.0000000000000000, -0.0005770900000000, -0.0012580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009316400000000 ] - [ 0.0004987600000000, -0.0002879600000000, -0.0006392900000000 ] - [ -0.0004987600000000, -0.0002879600000000, -0.0006392900000000 ] - [ 0.0000000000000000, 0.0005759100000000, -0.0006392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0233150300000000 ] - [ 0.0000000000000000, -0.0003292100000000, 0.0003107700000000 ] - [ 0.0002851000000000, 0.0001646000000000, 0.0003107700000000 ] - [ -0.0002851000000000, 0.0001646000000000, 0.0003107700000000 ] - [ 0.0000000000000000, -0.0000133000000000, 0.0036530400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010805600000000 ] - [ -0.0000115200000000, 0.0000066500000000, 0.0036530400000000 ] - [ 0.0000115200000000, 0.0000066500000000, 0.0036530400000000 ] - [ 0.0000000000000000, -0.0000010300000000, -0.0019732200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010350700000000 ] - [ -0.0000008900000000, 0.0000005200000000, -0.0019732200000000 ] - [ 0.0000008900000000, 0.0000005200000000, -0.0019732200000000 ] - [ 0.0000000000000000, -0.0048159300000000, 0.0031363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000801500000000 ] - [ -0.0041707100000000, 0.0024079600000000, 0.0031363600000000 ] - [ 0.0041707100000000, 0.0024079600000000, 0.0031363600000000 ] - [ 0.0000000000000000, 0.0048036300000000, 0.0031422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842800000000 ] - [ 0.0041600700000000, -0.0024018200000000, 0.0031422200000000 ] - [ -0.0041600700000000, -0.0024018200000000, 0.0031422200000000 ] - [ 0.0000000000000000, -0.0000579000000000, 0.0005738100000000 ] - [ 0.0000000000000000, 0.0002438600000000, 0.0007436200000000 ] - [ -0.0004175200000000, -0.0001577600000000, 0.0007552600000000 ] - [ 0.0004175200000000, -0.0001577600000000, 0.0007552600000000 ] - [ 0.0000501400000000, 0.0000289500000000, 0.0005738100000000 ] - [ -0.0000721400000000, 0.0004404700000000, 0.0007552600000000 ] - [ -0.0002111900000000, -0.0001219300000000, 0.0007436200000000 ] - [ 0.0003453900000000, -0.0002827100000000, 0.0007552600000000 ] - [ -0.0000501400000000, 0.0000289500000000, 0.0005738100000000 ] - [ 0.0000721400000000, 0.0004404700000000, 0.0007552600000000 ] - [ -0.0003453900000000, -0.0002827100000000, 0.0007552600000000 ] - [ 0.0002111900000000, -0.0001219300000000, 0.0007436200000000 ] - [ 0.0001723100000000, -0.0005301600000000, -0.0004354000000000 ] - [ -0.0001723100000000, -0.0005301600000000, -0.0004354000000000 ] - [ 0.0000000000000000, -0.0002192700000000, -0.0007321400000000 ] - [ 0.0000000000000000, -0.0001295800000000, -0.0008616100000000 ] - [ 0.0005452900000000, 0.0001158500000000, -0.0004354000000000 ] - [ 0.0001898900000000, 0.0001096400000000, -0.0007321400000000 ] - [ 0.0003729700000000, 0.0004143100000000, -0.0004354000000000 ] - [ 0.0001122200000000, 0.0000647900000000, -0.0008616100000000 ] - [ -0.0001898900000000, 0.0001096400000000, -0.0007321400000000 ] - [ -0.0005452900000000, 0.0001158500000000, -0.0004354000000000 ] - [ -0.0003729700000000, 0.0004143100000000, -0.0004354000000000 ] - [ -0.0001122200000000, 0.0000647900000000, -0.0008616100000000 ] - [ -0.0001664200000000, 0.0001326200000000, 0.0009051900000000 ] - [ 0.0001664200000000, 0.0001326200000000, 0.0009051900000000 ] - [ 0.0000000000000000, -0.0001732300000000, 0.0006092300000000 ] - [ 0.0000000000000000, -0.0002658000000000, 0.0004775200000000 ] - [ -0.0001980600000000, 0.0000778200000000, 0.0009051900000000 ] - [ 0.0001500200000000, 0.0000866100000000, 0.0006092300000000 ] - [ -0.0000316400000000, -0.0002104400000000, 0.0009051900000000 ] - [ 0.0002301900000000, 0.0001329000000000, 0.0004775200000000 ] - [ -0.0001500200000000, 0.0000866100000000, 0.0006092300000000 ] - [ 0.0001980600000000, 0.0000778200000000, 0.0009051900000000 ] - [ 0.0000316400000000, -0.0002104400000000, 0.0009051900000000 ] - [ -0.0002301900000000, 0.0001329000000000, 0.0004775200000000 ] - [ 0.0000000000000000, 0.0004548000000000, -0.0007669500000000 ] - [ 0.0000000000000000, 0.0001488700000000, -0.0005978000000000 ] - [ 0.0004178700000000, 0.0005524700000000, -0.0005828700000000 ] - [ -0.0004178700000000, 0.0005524700000000, -0.0005828700000000 ] - [ -0.0003938700000000, -0.0002274000000000, -0.0007669500000000 ] - [ -0.0002695200000000, -0.0006381300000000, -0.0005828700000000 ] - [ -0.0001289200000000, -0.0000744300000000, -0.0005978000000000 ] - [ -0.0006873900000000, 0.0000856500000000, -0.0005828700000000 ] - [ 0.0003938700000000, -0.0002274000000000, -0.0007669500000000 ] - [ 0.0002695200000000, -0.0006381300000000, -0.0005828700000000 ] - [ 0.0006873900000000, 0.0000856500000000, -0.0005828700000000 ] - [ 0.0001289200000000, -0.0000744300000000, -0.0005978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0730279600000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0007985100000000 ] - [ -0.0000003700000000, -0.0000002200000000, -0.0007985100000000 ] - [ 0.0000003700000000, -0.0000002200000000, -0.0007985100000000 ] - [ -0.0000001100000000, 0.0000000700000000, 0.0008840600000000 ] - [ 0.0000001100000000, 0.0000000700000000, 0.0008840600000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0008840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010485600000000 ]