# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/206d8514-2c34-4402-8b54-c3e68a1ca8c3/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 Sr(GaTe2)2 / Cccm (66) / materials id 6987](https://mdr.nims.go.jp/datasets/02e291bd-9aa3-4bfa-ac8b-8b36e512bd1d) ## 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: "Cccm" number: 66 Hall_symbol: "-C 2 2c"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.336295910000000, -5.768323690000000, 0.000000000000000 ] # a - [ 3.336295910000000, 5.768323690000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.597985899999999 ] # c points: - symbol: Ga # 1 coordinates: [ 0.242785840000000, 0.760147860000000, 0.500000000000000 ] mass: 69.723000 - symbol: Ga # 2 coordinates: [ 0.757214160000000, 0.239852140000000, 0.500000000000000 ] mass: 69.723000 - symbol: Ga # 3 coordinates: [ 0.239852140000000, 0.757214160000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 4 coordinates: [ 0.760147860000000, 0.242785840000000, 0.000000000000000 ] mass: 69.723000 - symbol: Sr # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 87.620000 - symbol: Te # 7 coordinates: [ 0.663033180000000, 0.809508780000000, 0.000000000000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.336966820000000, 0.190491220000000, 0.000000000000000 ] mass: 127.600000 - symbol: Te # 9 coordinates: [ 0.809508780000000, 0.663033180000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 10 coordinates: [ 0.190491220000000, 0.336966820000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.677140270000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.822859730000000 ] mass: 127.600000 - symbol: Te # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.322859730000000 ] mass: 127.600000 - symbol: Te # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.177140270000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.149866802432402, -0.086680295155212, 0.000000000000000 ] # a* - [ 0.149866802432402, 0.086680295155212, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.086221867195062 ] # c*unit_cell: lattice: - [ 6.672591820000000, -0.000000000000000, 0.000000000000000 ] # a - [ -0.000000000000000, 11.536647380000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.597985899999999 ] # c points: - symbol: Ga # 1 coordinates: [ 0.501466850000000, 0.258681010000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.998533150000000, 0.241318990000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 2 - symbol: Ga # 3 coordinates: [ 0.498533150000000, 0.258681010000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 3 - symbol: Ga # 4 coordinates: [ 0.001466850000000, 0.241318990000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 4 - symbol: Ga # 5 coordinates: [ 0.001466850000000, 0.758681010000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 6 coordinates: [ 0.498533150000000, 0.741318990000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 2 - symbol: Ga # 7 coordinates: [ 0.998533150000000, 0.758681010000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 3 - symbol: Ga # 8 coordinates: [ 0.501466850000000, 0.741318990000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 4 - symbol: Sr # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 10 - symbol: Te # 13 coordinates: [ 0.736270980000000, 0.073237800000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 14 coordinates: [ 0.763729020000000, 0.426762200000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 14 - symbol: Te # 15 coordinates: [ 0.236270980000000, 0.426762200000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 16 coordinates: [ 0.263729020000000, 0.073237800000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 16 - symbol: Te # 17 coordinates: [ 0.750000000000000, 0.250000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 18 coordinates: [ 0.250000000000000, 0.250000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 18 - symbol: Te # 19 coordinates: [ 0.750000000000000, 0.250000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.250000000000000, 0.250000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 21 coordinates: [ 0.236270980000000, 0.573237800000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 22 coordinates: [ 0.263729020000000, 0.926762200000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 14 - symbol: Te # 23 coordinates: [ 0.736270980000000, 0.926762200000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 24 coordinates: [ 0.763729020000000, 0.573237800000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 16 - symbol: Te # 25 coordinates: [ 0.250000000000000, 0.750000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 26 coordinates: [ 0.750000000000000, 0.750000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 18 - symbol: Te # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 20supercell: lattice: - [ 13.345183640000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 23.073294760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.597985899999999 ] # c points: - symbol: Ga # 1 coordinates: [ 0.250733425000000, 0.129340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.750733425000000, 0.129340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 3 coordinates: [ 0.250733425000000, 0.629340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 4 coordinates: [ 0.750733425000000, 0.629340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 5 coordinates: [ 0.499266575000000, 0.120659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 6 coordinates: [ 0.999266575000000, 0.120659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 7 coordinates: [ 0.499266575000000, 0.620659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 8 coordinates: [ 0.999266575000000, 0.620659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 9 coordinates: [ 0.249266575000000, 0.129340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 10 coordinates: [ 0.749266575000000, 0.129340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 11 coordinates: [ 0.249266575000000, 0.629340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 12 coordinates: [ 0.749266575000000, 0.629340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 13 coordinates: [ 0.000733425000000, 0.120659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.500733425000000, 0.120659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 15 coordinates: [ 0.000733425000000, 0.620659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 16 coordinates: [ 0.500733425000000, 0.620659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 17 coordinates: [ 0.000733425000000, 0.379340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 18 coordinates: [ 0.500733425000000, 0.379340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 19 coordinates: [ 0.000733425000000, 0.879340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 20 coordinates: [ 0.500733425000000, 0.879340505000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 21 coordinates: [ 0.249266575000000, 0.370659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 22 coordinates: [ 0.749266575000000, 0.370659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 23 coordinates: [ 0.249266575000000, 0.870659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 24 coordinates: [ 0.749266575000000, 0.870659495000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 25 coordinates: [ 0.499266575000000, 0.379340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 26 coordinates: [ 0.999266575000000, 0.379340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 27 coordinates: [ 0.499266575000000, 0.879340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 28 coordinates: [ 0.999266575000000, 0.879340505000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 29 coordinates: [ 0.250733425000000, 0.370659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 30 coordinates: [ 0.750733425000000, 0.370659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 31 coordinates: [ 0.250733425000000, 0.870659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 32 coordinates: [ 0.750733425000000, 0.870659495000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Sr # 33 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 34 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 35 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 36 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 37 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 38 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 39 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 40 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 41 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 42 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 43 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 44 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 33 - symbol: Sr # 45 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 46 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 47 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 48 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 37 - symbol: Te # 49 coordinates: [ 0.368135490000000, 0.036618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.868135490000000, 0.036618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.368135490000000, 0.536618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 52 coordinates: [ 0.868135490000000, 0.536618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 53 coordinates: [ 0.381864510000000, 0.213381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.881864510000000, 0.213381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 55 coordinates: [ 0.381864510000000, 0.713381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 56 coordinates: [ 0.881864510000000, 0.713381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 57 coordinates: [ 0.118135490000000, 0.213381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.618135490000000, 0.213381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 59 coordinates: [ 0.118135490000000, 0.713381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 60 coordinates: [ 0.618135490000000, 0.713381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 61 coordinates: [ 0.131864510000000, 0.036618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.631864510000000, 0.036618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 63 coordinates: [ 0.131864510000000, 0.536618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 64 coordinates: [ 0.631864510000000, 0.536618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 65 coordinates: [ 0.375000000000000, 0.125000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.875000000000000, 0.125000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 67 coordinates: [ 0.375000000000000, 0.625000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 68 coordinates: [ 0.875000000000000, 0.625000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 69 coordinates: [ 0.125000000000000, 0.125000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 70 coordinates: [ 0.625000000000000, 0.125000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 71 coordinates: [ 0.125000000000000, 0.625000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 72 coordinates: [ 0.625000000000000, 0.625000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 73 coordinates: [ 0.375000000000000, 0.125000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.875000000000000, 0.125000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.375000000000000, 0.625000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 76 coordinates: [ 0.875000000000000, 0.625000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 77 coordinates: [ 0.125000000000000, 0.125000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.625000000000000, 0.125000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 79 coordinates: [ 0.125000000000000, 0.625000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 80 coordinates: [ 0.625000000000000, 0.625000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 81 coordinates: [ 0.118135490000000, 0.286618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 82 coordinates: [ 0.618135490000000, 0.286618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 83 coordinates: [ 0.118135490000000, 0.786618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 84 coordinates: [ 0.618135490000000, 0.786618900000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 85 coordinates: [ 0.131864510000000, 0.463381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 86 coordinates: [ 0.631864510000000, 0.463381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 87 coordinates: [ 0.131864510000000, 0.963381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 88 coordinates: [ 0.631864510000000, 0.963381100000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 89 coordinates: [ 0.368135490000000, 0.463381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 90 coordinates: [ 0.868135490000000, 0.463381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 91 coordinates: [ 0.368135490000000, 0.963381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 92 coordinates: [ 0.868135490000000, 0.963381100000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 93 coordinates: [ 0.381864510000000, 0.286618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 94 coordinates: [ 0.881864510000000, 0.286618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 95 coordinates: [ 0.381864510000000, 0.786618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 96 coordinates: [ 0.881864510000000, 0.786618900000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 97 coordinates: [ 0.125000000000000, 0.375000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 98 coordinates: [ 0.625000000000000, 0.375000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 99 coordinates: [ 0.125000000000000, 0.875000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 100 coordinates: [ 0.625000000000000, 0.875000000000000, 0.677140270000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 101 coordinates: [ 0.375000000000000, 0.375000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 102 coordinates: [ 0.875000000000000, 0.375000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 103 coordinates: [ 0.375000000000000, 0.875000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 104 coordinates: [ 0.875000000000000, 0.875000000000000, 0.822859730000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 105 coordinates: [ 0.125000000000000, 0.375000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 106 coordinates: [ 0.625000000000000, 0.375000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 107 coordinates: [ 0.125000000000000, 0.875000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 108 coordinates: [ 0.625000000000000, 0.875000000000000, 0.322859730000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 109 coordinates: [ 0.375000000000000, 0.375000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 110 coordinates: [ 0.875000000000000, 0.375000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 111 coordinates: [ 0.375000000000000, 0.875000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 112 coordinates: [ 0.875000000000000, 0.875000000000000, 0.177140270000000 ] mass: 127.600000 reduced_to: 77born_effective_charge:- # 1 (Ga) - [ 3.858625180000000, -0.427165610000000, 0.000000000000000 ] - [ -0.068327020000000, 2.414622520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.381597580000000 ]- # 2 (Ga) - [ 3.858625180000000, -0.427165610000000, 0.000000000000000 ] - [ -0.068327020000000, 2.414622520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.381597580000000 ]- # 3 (Ga) - [ 3.858625180000000, 0.427165610000000, 0.000000000000000 ] - [ 0.068327020000000, 2.414622520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.381597580000000 ]- # 4 (Ga) - [ 3.858625180000000, 0.427165610000000, 0.000000000000000 ] - [ 0.068327020000000, 2.414622520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.381597580000000 ]- # 5 (Sr) - [ 1.940875630000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.061510830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.070220860000000 ]- # 6 (Sr) - [ 1.940875630000000, -0.000000000000000, 0.000000000000000 ] - 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