# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f7180259-22bc-4e71-9b73-f19f11231889/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 Se / R-3 (148) / materials id 147](https://mdr.nims.go.jp/datasets/6f7e8c2c-8f70-48bd-a07e-a9b161578737) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.349708720000004, 3.088655799999997, 1.509662916666665 ] # a - [ -5.349708739999994, 3.088655749999996, 1.509662916666665 ] # b - [ 0.000000020000006, -6.177311550000002, 1.509662916666665 ] # c points: - symbol: Se # 1 coordinates: [ 0.169136430000000, 0.910694950000002, 0.305390320000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.305390320000000, 0.169136430000000, 0.910694940000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.910694940000000, 0.305390320000001, 0.169136420000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.830863580000000, 0.089305060000002, 0.694609680000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.694609680000000, 0.830863560000001, 0.089305060000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.089305060000000, 0.694609670000003, 0.830863580000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.093463032080062, 0.053960907185035, 0.220799841907313 ] # a* - [ -0.093463032584397, 0.053960906579833, 0.220799841907314 ] # b* - [ 0.000000000504335, -0.107921813764868, 0.220799841907313 ] # c*unit_cell: lattice: - [ 10.699417459999999, 0.000000050000000, 0.000000000000000 ] # a - [ -5.349708760000000, 9.265967300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.528988750000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.374062530000000, 0.489683580000000, 0.795073900000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.176983090000000, 0.217712290000000, 0.128407230000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.448954380000000, 0.292604140000000, 0.461740560000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.292604140000000, 0.843649760000000, 0.538259440000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.489683580000000, 0.115621040000000, 0.204926100000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.217712290000000, 0.040729190000000, 0.871592770000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.040729190000000, 0.823016910000000, 0.128407230000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 8 coordinates: [ 0.843649760000000, 0.551045620000000, 0.461740560000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 9 coordinates: [ 0.115621040000000, 0.625937470000000, 0.795073900000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 10 coordinates: [ 0.959270810000000, 0.176983090000000, 0.871592770000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 11 coordinates: [ 0.156350240000000, 0.448954380000000, 0.538259440000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 12 coordinates: [ 0.884378960000000, 0.374062530000000, 0.204926100000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 13 coordinates: [ 0.707395860000000, 0.156350240000000, 0.461740560000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 14 coordinates: [ 0.510316420000000, 0.884378960000000, 0.795073900000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 15 coordinates: [ 0.782287710000000, 0.959270810000000, 0.128407230000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 16 coordinates: [ 0.625937470000000, 0.510316420000000, 0.204926100000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 17 coordinates: [ 0.823016910000000, 0.782287710000000, 0.871592770000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 18 coordinates: [ 0.551045620000000, 0.707395860000000, 0.538259440000000 ] mass: 78.960000 reduced_to: 6supercell: lattice: - [ 21.398834919999999, 0.000000100000000, 0.000000000000000 ] # a - [ -10.699417520000001, 18.531934600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.057977500000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.187031265000000, 0.244841790000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.687031265000000, 0.244841790000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 3 coordinates: [ 0.187031265000000, 0.744841790000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 4 coordinates: [ 0.687031265000000, 0.744841790000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 5 coordinates: [ 0.187031265000000, 0.244841790000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 6 coordinates: [ 0.687031265000000, 0.244841790000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 7 coordinates: [ 0.187031265000000, 0.744841790000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 8 coordinates: [ 0.687031265000000, 0.744841790000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 9 coordinates: [ 0.088491545000000, 0.108856145000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.588491545000000, 0.108856145000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 11 coordinates: [ 0.088491545000000, 0.608856145000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 12 coordinates: [ 0.588491545000000, 0.608856145000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 13 coordinates: [ 0.088491545000000, 0.108856145000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 14 coordinates: [ 0.588491545000000, 0.108856145000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 15 coordinates: [ 0.088491545000000, 0.608856145000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 16 coordinates: [ 0.588491545000000, 0.608856145000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 17 coordinates: [ 0.224477190000000, 0.146302070000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.724477190000000, 0.146302070000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 19 coordinates: [ 0.224477190000000, 0.646302070000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 20 coordinates: [ 0.724477190000000, 0.646302070000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 21 coordinates: [ 0.224477190000000, 0.146302070000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 22 coordinates: [ 0.724477190000000, 0.146302070000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 23 coordinates: [ 0.224477190000000, 0.646302070000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 24 coordinates: [ 0.724477190000000, 0.646302070000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 25 coordinates: [ 0.146302070000000, 0.421824880000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.646302070000000, 0.421824880000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 27 coordinates: [ 0.146302070000000, 0.921824880000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 28 coordinates: [ 0.646302070000000, 0.921824880000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 29 coordinates: [ 0.146302070000000, 0.421824880000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 30 coordinates: [ 0.646302070000000, 0.421824880000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 31 coordinates: [ 0.146302070000000, 0.921824880000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 32 coordinates: [ 0.646302070000000, 0.921824880000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 33 coordinates: [ 0.244841790000000, 0.057810520000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.744841790000000, 0.057810520000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.244841790000000, 0.557810520000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 36 coordinates: [ 0.744841790000000, 0.557810520000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 37 coordinates: [ 0.244841790000000, 0.057810520000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 38 coordinates: [ 0.744841790000000, 0.057810520000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 39 coordinates: [ 0.244841790000000, 0.557810520000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 40 coordinates: [ 0.744841790000000, 0.557810520000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 41 coordinates: [ 0.108856145000000, 0.020364595000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.608856145000000, 0.020364595000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.108856145000000, 0.520364595000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 44 coordinates: [ 0.608856145000000, 0.520364595000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 45 coordinates: [ 0.108856145000000, 0.020364595000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 46 coordinates: [ 0.608856145000000, 0.020364595000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 47 coordinates: [ 0.108856145000000, 0.520364595000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 48 coordinates: [ 0.608856145000000, 0.520364595000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 49 coordinates: [ 0.020364595000000, 0.411508455000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 50 coordinates: [ 0.520364595000000, 0.411508455000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 51 coordinates: [ 0.020364595000000, 0.911508455000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 52 coordinates: [ 0.520364595000000, 0.911508455000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 53 coordinates: [ 0.020364595000000, 0.411508455000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 54 coordinates: [ 0.520364595000000, 0.411508455000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 55 coordinates: [ 0.020364595000000, 0.911508455000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 56 coordinates: [ 0.520364595000000, 0.911508455000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 57 coordinates: [ 0.421824880000000, 0.275522810000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 58 coordinates: [ 0.921824880000000, 0.275522810000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 59 coordinates: [ 0.421824880000000, 0.775522810000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 60 coordinates: [ 0.921824880000000, 0.775522810000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 61 coordinates: [ 0.421824880000000, 0.275522810000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 62 coordinates: [ 0.921824880000000, 0.275522810000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 63 coordinates: [ 0.421824880000000, 0.775522810000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 64 coordinates: [ 0.921824880000000, 0.775522810000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 65 coordinates: [ 0.057810520000000, 0.312968735000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 66 coordinates: [ 0.557810520000000, 0.312968735000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 67 coordinates: [ 0.057810520000000, 0.812968735000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 68 coordinates: [ 0.557810520000000, 0.812968735000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 69 coordinates: [ 0.057810520000000, 0.312968735000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 70 coordinates: [ 0.557810520000000, 0.312968735000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 71 coordinates: [ 0.057810520000000, 0.812968735000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 72 coordinates: [ 0.557810520000000, 0.812968735000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 73 coordinates: [ 0.479635405000000, 0.088491545000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 74 coordinates: [ 0.979635405000000, 0.088491545000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 75 coordinates: [ 0.479635405000000, 0.588491545000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 76 coordinates: [ 0.979635405000000, 0.588491545000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 77 coordinates: [ 0.479635405000000, 0.088491545000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 78 coordinates: [ 0.979635405000000, 0.088491545000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 79 coordinates: [ 0.479635405000000, 0.588491545000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 80 coordinates: [ 0.979635405000000, 0.588491545000000, 0.935796385000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 81 coordinates: [ 0.078175120000000, 0.224477190000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 82 coordinates: [ 0.578175120000000, 0.224477190000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 83 coordinates: [ 0.078175120000000, 0.724477190000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 84 coordinates: [ 0.578175120000000, 0.724477190000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 85 coordinates: [ 0.078175120000000, 0.224477190000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 86 coordinates: [ 0.578175120000000, 0.224477190000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 87 coordinates: [ 0.078175120000000, 0.724477190000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 88 coordinates: [ 0.578175120000000, 0.724477190000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 89 coordinates: [ 0.442189480000000, 0.187031265000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 90 coordinates: [ 0.942189480000000, 0.187031265000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 91 coordinates: [ 0.442189480000000, 0.687031265000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 92 coordinates: [ 0.942189480000000, 0.687031265000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 93 coordinates: [ 0.442189480000000, 0.187031265000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 94 coordinates: [ 0.942189480000000, 0.187031265000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 95 coordinates: [ 0.442189480000000, 0.687031265000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 96 coordinates: [ 0.942189480000000, 0.687031265000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 97 coordinates: [ 0.353697930000000, 0.078175120000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 98 coordinates: [ 0.853697930000000, 0.078175120000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 99 coordinates: [ 0.353697930000000, 0.578175120000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 100 coordinates: [ 0.853697930000000, 0.578175120000000, 0.230870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 101 coordinates: [ 0.353697930000000, 0.078175120000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 102 coordinates: [ 0.853697930000000, 0.078175120000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 103 coordinates: [ 0.353697930000000, 0.578175120000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 104 coordinates: [ 0.853697930000000, 0.578175120000000, 0.730870280000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 105 coordinates: [ 0.255158210000000, 0.442189480000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 106 coordinates: [ 0.755158210000000, 0.442189480000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 107 coordinates: [ 0.255158210000000, 0.942189480000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 108 coordinates: [ 0.755158210000000, 0.942189480000000, 0.397536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 109 coordinates: [ 0.255158210000000, 0.442189480000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 110 coordinates: [ 0.755158210000000, 0.442189480000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 111 coordinates: [ 0.255158210000000, 0.942189480000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 112 coordinates: [ 0.755158210000000, 0.942189480000000, 0.897536950000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 113 coordinates: [ 0.391143855000000, 0.479635405000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 114 coordinates: [ 0.891143855000000, 0.479635405000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 115 coordinates: [ 0.391143855000000, 0.979635405000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 116 coordinates: [ 0.891143855000000, 0.979635405000000, 0.064203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 117 coordinates: [ 0.391143855000000, 0.479635405000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 118 coordinates: [ 0.891143855000000, 0.479635405000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 119 coordinates: [ 0.391143855000000, 0.979635405000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 120 coordinates: [ 0.891143855000000, 0.979635405000000, 0.564203615000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 121 coordinates: [ 0.312968735000000, 0.255158210000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 122 coordinates: [ 0.812968735000000, 0.255158210000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 123 coordinates: [ 0.312968735000000, 0.755158210000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 124 coordinates: [ 0.812968735000000, 0.755158210000000, 0.102463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 125 coordinates: [ 0.312968735000000, 0.255158210000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 126 coordinates: [ 0.812968735000000, 0.255158210000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 127 coordinates: [ 0.312968735000000, 0.755158210000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 128 coordinates: [ 0.812968735000000, 0.755158210000000, 0.602463050000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 129 coordinates: [ 0.411508455000000, 0.391143855000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 130 coordinates: [ 0.911508455000000, 0.391143855000000, 0.435796385000000 ] mass: 78.960000 reduced_to: 33 - 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symbol: Se # 140 coordinates: [ 0.775522810000000, 0.853697930000000, 0.269129720000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 141 coordinates: [ 0.275522810000000, 0.353697930000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 142 coordinates: [ 0.775522810000000, 0.353697930000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 143 coordinates: [ 0.275522810000000, 0.853697930000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 144 coordinates: [ 0.775522810000000, 0.853697930000000, 0.769129720000000 ] mass: 78.960000 reduced_to: 41born_effective_charge:- # 1 (Se) - [ -2.263379680000000, 2.178731710000000, -0.999887580000000 ] - [ 2.178731710000000, 2.263379680000000, -2.195149720000000 ] - [ -0.472086840000000, -1.264443800000000, 0.000000000000000 ]- # 2 (Se) - [ 3.018526848890719, 0.870778454020529, 2.400999213656933 ] - [ 0.870778438558444, -3.018526848890712, 0.231646811963924 ] - [ 1.331083871995488, 0.223382705386126, -0.000000000000007 ]- # 3 (Se) - 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