# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/493dbca0-8a2b-40f1-95f2-b22890c2cfde/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 NaTe / Pbcn (60) / materials id 28353](https://mdr.nims.go.jp/datasets/780ed767-3171-4094-8645-03e9c053e74a) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 15.711453179999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.951650460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.000286530000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.189661390000000, 0.515688910000000, 0.717133930000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.310338610000000, 0.984311090000000, 0.217133930000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.810338610000000, 0.515688910000000, 0.782866070000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.689661390000000, 0.984311090000000, 0.282866070000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.810338610000000, 0.484311090000000, 0.282866070000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.689661390000000, 0.015688910000000, 0.782866070000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.189661390000000, 0.484311090000000, 0.217133930000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.310338610000000, 0.015688910000000, 0.717133930000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.029703750000000, 0.680741090000000, 0.939437990000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.470296250000000, 0.819258910000000, 0.439437990000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.970296250000000, 0.680741090000000, 0.560562010000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.529703750000000, 0.819258910000000, 0.060562010000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.970296250000000, 0.319258910000000, 0.060562010000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.529703750000000, 0.180741090000000, 0.560562010000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.029703750000000, 0.319258910000000, 0.439437990000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.470296250000000, 0.180741090000000, 0.939437990000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.386584630000000, 0.672534790000000, 0.757836870000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.113415370000000, 0.827465210000000, 0.257836870000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.613415370000000, 0.672534790000000, 0.742163130000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.886584630000000, 0.827465210000000, 0.242163130000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.613415370000000, 0.327465210000000, 0.242163130000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.886584630000000, 0.172534790000000, 0.742163130000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.386584630000000, 0.327465210000000, 0.257836870000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.113415370000000, 0.172534790000000, 0.757836870000000 ] mass: 22.989769 - symbol: Te # 25 coordinates: [ 0.500000000000000, 0.928435810000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 26 coordinates: [ 0.000000000000000, 0.571564190000000, 0.250000000000000 ] mass: 127.600000 - symbol: Te # 27 coordinates: [ 0.500000000000000, 0.071564190000000, 0.250000000000000 ] mass: 127.600000 - symbol: Te # 28 coordinates: [ 0.000000000000000, 0.428435810000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 29 coordinates: [ 0.745155170000000, 0.248126250000000, 0.513922930000000 ] mass: 127.600000 - symbol: Te # 30 coordinates: [ 0.754844830000000, 0.251873750000000, 0.013922930000000 ] mass: 127.600000 - symbol: Te # 31 coordinates: [ 0.254844830000000, 0.248126250000000, 0.986077070000000 ] mass: 127.600000 - symbol: Te # 32 coordinates: [ 0.245155170000000, 0.251873750000000, 0.486077070000000 ] mass: 127.600000 - symbol: Te # 33 coordinates: [ 0.254844830000000, 0.751873750000000, 0.486077070000000 ] mass: 127.600000 - symbol: Te # 34 coordinates: [ 0.245155170000000, 0.748126250000000, 0.986077070000000 ] mass: 127.600000 - symbol: Te # 35 coordinates: [ 0.745155170000000, 0.751873750000000, 0.013922930000000 ] mass: 127.600000 - symbol: Te # 36 coordinates: [ 0.754844830000000, 0.748126250000000, 0.513922930000000 ] mass: 127.600000 - symbol: Te # 37 coordinates: [ 0.866375670000000, 0.139332960000000, 0.305802750000000 ] mass: 127.600000 - symbol: Te # 38 coordinates: [ 0.633624330000000, 0.360667040000000, 0.805802750000000 ] mass: 127.600000 - symbol: Te # 39 coordinates: [ 0.133624330000000, 0.139332960000000, 0.194197250000000 ] mass: 127.600000 - symbol: Te # 40 coordinates: [ 0.366375670000000, 0.360667040000000, 0.694197250000000 ] mass: 127.600000 - symbol: Te # 41 coordinates: [ 0.133624330000000, 0.860667040000000, 0.694197250000000 ] mass: 127.600000 - symbol: Te # 42 coordinates: [ 0.366375670000000, 0.639332960000000, 0.194197250000000 ] mass: 127.600000 - symbol: Te # 43 coordinates: [ 0.866375670000000, 0.860667040000000, 0.805802750000000 ] mass: 127.600000 - symbol: Te # 44 coordinates: [ 0.633624330000000, 0.639332960000000, 0.305802750000000 ] mass: 127.600000 - symbol: Te # 45 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 - symbol: Te # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.063647836297724, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.100485844435497, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.111107573816319 ] # c*unit_cell: lattice: - [ 15.711453179999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.951650460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.000286530000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.189661390000000, 0.515688910000000, 0.717133930000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.310338610000000, 0.984311090000000, 0.217133930000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.810338610000000, 0.515688910000000, 0.782866070000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.689661390000000, 0.984311090000000, 0.282866070000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.810338610000000, 0.484311090000000, 0.282866070000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.689661390000000, 0.015688910000000, 0.782866070000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.189661390000000, 0.484311090000000, 0.217133930000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.310338610000000, 0.015688910000000, 0.717133930000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.029703750000000, 0.680741090000000, 0.939437990000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.470296250000000, 0.819258910000000, 0.439437990000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.970296250000000, 0.680741090000000, 0.560562010000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.529703750000000, 0.819258910000000, 0.060562010000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.970296250000000, 0.319258910000000, 0.060562010000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.529703750000000, 0.180741090000000, 0.560562010000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.029703750000000, 0.319258910000000, 0.439437990000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.470296250000000, 0.180741090000000, 0.939437990000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.386584630000000, 0.672534790000000, 0.757836870000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.113415370000000, 0.827465210000000, 0.257836870000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.613415370000000, 0.672534790000000, 0.742163130000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.886584630000000, 0.827465210000000, 0.242163130000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.613415370000000, 0.327465210000000, 0.242163130000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.886584630000000, 0.172534790000000, 0.742163130000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.386584630000000, 0.327465210000000, 0.257836870000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.113415370000000, 0.172534790000000, 0.757836870000000 ] mass: 22.989769 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.500000000000000, 0.928435810000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.000000000000000, 0.571564190000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.500000000000000, 0.071564190000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.000000000000000, 0.428435810000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.745155170000000, 0.248126250000000, 0.513922930000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.754844830000000, 0.251873750000000, 0.013922930000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.254844830000000, 0.248126250000000, 0.986077070000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.245155170000000, 0.251873750000000, 0.486077070000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 33 coordinates: [ 0.254844830000000, 0.751873750000000, 0.486077070000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.245155170000000, 0.748126250000000, 0.986077070000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 35 coordinates: [ 0.745155170000000, 0.751873750000000, 0.013922930000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.754844830000000, 0.748126250000000, 0.513922930000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 37 coordinates: [ 0.866375670000000, 0.139332960000000, 0.305802750000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.633624330000000, 0.360667040000000, 0.805802750000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 39 coordinates: [ 0.133624330000000, 0.139332960000000, 0.194197250000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.366375670000000, 0.360667040000000, 0.694197250000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 41 coordinates: [ 0.133624330000000, 0.860667040000000, 0.694197250000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.366375670000000, 0.639332960000000, 0.194197250000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 43 coordinates: [ 0.866375670000000, 0.860667040000000, 0.805802750000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.633624330000000, 0.639332960000000, 0.305802750000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 45 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 48supercell: lattice: - [ 15.711453179999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.951650460000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.000573060000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.189661390000000, 0.515688910000000, 0.358566965000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.189661390000000, 0.515688910000000, 0.858566965000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.310338610000000, 0.984311090000000, 0.108566965000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.310338610000000, 0.984311090000000, 0.608566965000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.810338610000000, 0.515688910000000, 0.391433035000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.810338610000000, 0.515688910000000, 0.891433035000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.689661390000000, 0.984311090000000, 0.141433035000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.689661390000000, 0.984311090000000, 0.641433035000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.810338610000000, 0.484311090000000, 0.141433035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.810338610000000, 0.484311090000000, 0.641433035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.689661390000000, 0.015688910000000, 0.391433035000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.689661390000000, 0.015688910000000, 0.891433035000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.189661390000000, 0.484311090000000, 0.108566965000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.189661390000000, 0.484311090000000, 0.608566965000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.310338610000000, 0.015688910000000, 0.358566965000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.310338610000000, 0.015688910000000, 0.858566965000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.029703750000000, 0.680741090000000, 0.469718995000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.029703750000000, 0.680741090000000, 0.969718995000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.470296250000000, 0.819258910000000, 0.219718995000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.470296250000000, 0.819258910000000, 0.719718995000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.970296250000000, 0.680741090000000, 0.280281005000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.970296250000000, 0.680741090000000, 0.780281005000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.529703750000000, 0.819258910000000, 0.030281005000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.529703750000000, 0.819258910000000, 0.530281005000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 25 coordinates: [ 0.970296250000000, 0.319258910000000, 0.030281005000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.970296250000000, 0.319258910000000, 0.530281005000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.529703750000000, 0.180741090000000, 0.280281005000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.529703750000000, 0.180741090000000, 0.780281005000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 29 coordinates: [ 0.029703750000000, 0.319258910000000, 0.219718995000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.029703750000000, 0.319258910000000, 0.719718995000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 31 coordinates: [ 0.470296250000000, 0.180741090000000, 0.469718995000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.470296250000000, 0.180741090000000, 0.969718995000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 33 coordinates: [ 0.386584630000000, 0.672534790000000, 0.378918435000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.386584630000000, 0.672534790000000, 0.878918435000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 35 coordinates: [ 0.113415370000000, 0.827465210000000, 0.128918435000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.113415370000000, 0.827465210000000, 0.628918435000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 37 coordinates: [ 0.613415370000000, 0.672534790000000, 0.371081565000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.613415370000000, 0.672534790000000, 0.871081565000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 39 coordinates: [ 0.886584630000000, 0.827465210000000, 0.121081565000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.886584630000000, 0.827465210000000, 0.621081565000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 41 coordinates: [ 0.613415370000000, 0.327465210000000, 0.121081565000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.613415370000000, 0.327465210000000, 0.621081565000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 43 coordinates: [ 0.886584630000000, 0.172534790000000, 0.371081565000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.886584630000000, 0.172534790000000, 0.871081565000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 45 coordinates: [ 0.386584630000000, 0.327465210000000, 0.128918435000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.386584630000000, 0.327465210000000, 0.628918435000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 47 coordinates: [ 0.113415370000000, 0.172534790000000, 0.378918435000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.113415370000000, 0.172534790000000, 0.878918435000000 ] mass: 22.989769 reduced_to: 47 - symbol: Te # 49 coordinates: [ 0.500000000000000, 0.928435810000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.500000000000000, 0.928435810000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.000000000000000, 0.571564190000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.000000000000000, 0.571564190000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 53 coordinates: [ 0.500000000000000, 0.071564190000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.500000000000000, 0.071564190000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 55 coordinates: [ 0.000000000000000, 0.428435810000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.000000000000000, 0.428435810000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 57 coordinates: [ 0.745155170000000, 0.248126250000000, 0.256961465000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.745155170000000, 0.248126250000000, 0.756961465000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 59 coordinates: [ 0.754844830000000, 0.251873750000000, 0.006961465000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.754844830000000, 0.251873750000000, 0.506961465000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 61 coordinates: [ 0.254844830000000, 0.248126250000000, 0.493038535000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.254844830000000, 0.248126250000000, 0.993038535000000 ] mass: 127.600000 reduced_to: 61 - 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