# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/60543cd5-a356-48b0-b9a2-4902c5d22c60/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 Sr2CaTeO6 / P2_1/c (14) / materials id 11982](https://mdr.nims.go.jp/datasets/7266aaac-07cc-4a21-84e3-d19be751ec36) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.774123220000000, 0.000000000000000, 0.000607450000000 ] # a - [ 0.000000000000000, 5.853965120000000, 0.000000000000000 ] # b - [ -5.742835750000000, 0.000000000000000, 8.195718879999999 ] # c points: - symbol: O # 1 coordinates: [ 0.691408940000000, 0.475018660000000, 0.770914680000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.308591060000000, 0.975018660000000, 0.729085320000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.308591060000000, 0.524981340000000, 0.229085320000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.691408940000000, 0.024981340000000, 0.270914680000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.856696720000000, 0.232295720000000, 0.045679290000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.143303280000000, 0.732295720000000, 0.454320710000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.143303280000000, 0.767704280000000, 0.954320710000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.856696720000000, 0.267704280000000, 0.545679290000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.771771220000000, 0.806647060000000, 0.539186610000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.228228780000000, 0.306647060000000, 0.960813390000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.228228780000000, 0.193352940000000, 0.460813390000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.771771220000000, 0.693352940000000, 0.039186610000000 ] mass: 15.999400 - symbol: Ca # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 - symbol: Sr # 15 coordinates: [ 0.758887410000000, 0.461453130000000, 0.249624800000000 ] mass: 87.620000 - symbol: Sr # 16 coordinates: [ 0.241112590000000, 0.961453130000000, 0.250375200000000 ] mass: 87.620000 - symbol: Sr # 17 coordinates: [ 0.758887410000000, 0.038546870000000, 0.749624800000000 ] mass: 87.620000 - symbol: Sr # 18 coordinates: [ 0.241112590000000, 0.538546870000000, 0.750375200000000 ] mass: 87.620000 - symbol: Te # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.173173701180979, 0.000000000000000, 0.121344830961545 ] # a* - [ 0.000000000000000, 0.170824386463034, 0.000000000000000 ] # b* - [ -0.000012835282215, 0.000000000000000, 0.122005928183134 ] # c*unit_cell: lattice: - [ 5.774123220000000, 0.000000000000000, 0.000607450000000 ] # a - [ 0.000000000000000, 5.853965120000000, 0.000000000000000 ] # b - [ -5.742835750000000, 0.000000000000000, 8.195718879999999 ] # c points: - symbol: O # 1 coordinates: [ 0.691408940000000, 0.475018660000000, 0.770914680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.308591060000000, 0.975018660000000, 0.729085320000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.308591060000000, 0.524981340000000, 0.229085320000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.691408940000000, 0.024981340000000, 0.270914680000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.856696720000000, 0.232295720000000, 0.045679290000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.143303280000000, 0.732295720000000, 0.454320710000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.143303280000000, 0.767704280000000, 0.954320710000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.856696720000000, 0.267704280000000, 0.545679290000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.771771220000000, 0.806647060000000, 0.539186610000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.228228780000000, 0.306647060000000, 0.960813390000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.228228780000000, 0.193352940000000, 0.460813390000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.771771220000000, 0.693352940000000, 0.039186610000000 ] mass: 15.999400 reduced_to: 12 - symbol: Ca # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 14 - symbol: Sr # 15 coordinates: [ 0.758887410000000, 0.461453130000000, 0.249624800000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 16 coordinates: [ 0.241112590000000, 0.961453130000000, 0.250375200000000 ] mass: 87.620000 reduced_to: 16 - symbol: Sr # 17 coordinates: [ 0.758887410000000, 0.038546870000000, 0.749624800000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.241112590000000, 0.538546870000000, 0.750375200000000 ] mass: 87.620000 reduced_to: 18 - symbol: Te # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 20supercell: lattice: - [ 11.548246440000000, 0.000000000000000, 0.001214900000000 ] # a - [ 0.000000000000000, 11.707930240000000, 0.000000000000000 ] # b - [ -5.742835750000000, 0.000000000000000, 8.195718879999999 ] # c points: - symbol: O # 1 coordinates: [ 0.345704470000000, 0.237509330000000, 0.770914680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.845704470000000, 0.237509330000000, 0.770914680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.345704470000000, 0.737509330000000, 0.770914680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.845704470000000, 0.737509330000000, 0.770914680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.154295530000000, 0.487509330000000, 0.729085320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.654295530000000, 0.487509330000000, 0.729085320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.154295530000000, 0.987509330000000, 0.729085320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.654295530000000, 0.987509330000000, 0.729085320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.154295530000000, 0.262490670000000, 0.229085320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654295530000000, 0.262490670000000, 0.229085320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.154295530000000, 0.762490670000000, 0.229085320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.654295530000000, 0.762490670000000, 0.229085320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.345704470000000, 0.012490670000000, 0.270914680000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.845704470000000, 0.012490670000000, 0.270914680000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.345704470000000, 0.512490670000000, 0.270914680000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.845704470000000, 0.512490670000000, 0.270914680000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.428348360000000, 0.116147860000000, 0.045679290000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.928348360000000, 0.116147860000000, 0.045679290000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.428348360000000, 0.616147860000000, 0.045679290000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.928348360000000, 0.616147860000000, 0.045679290000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.071651640000000, 0.366147860000000, 0.454320710000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.571651640000000, 0.366147860000000, 0.454320710000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.071651640000000, 0.866147860000000, 0.454320710000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.571651640000000, 0.866147860000000, 0.454320710000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.071651640000000, 0.383852140000000, 0.954320710000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.571651640000000, 0.383852140000000, 0.954320710000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.071651640000000, 0.883852140000000, 0.954320710000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.571651640000000, 0.883852140000000, 0.954320710000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.428348360000000, 0.133852140000000, 0.545679290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.928348360000000, 0.133852140000000, 0.545679290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.428348360000000, 0.633852140000000, 0.545679290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.928348360000000, 0.633852140000000, 0.545679290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.385885610000000, 0.403323530000000, 0.539186610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.885885610000000, 0.403323530000000, 0.539186610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.385885610000000, 0.903323530000000, 0.539186610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.885885610000000, 0.903323530000000, 0.539186610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.114114390000000, 0.153323530000000, 0.960813390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.614114390000000, 0.153323530000000, 0.960813390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.114114390000000, 0.653323530000000, 0.960813390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.614114390000000, 0.653323530000000, 0.960813390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.114114390000000, 0.096676470000000, 0.460813390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.614114390000000, 0.096676470000000, 0.460813390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.114114390000000, 0.596676470000000, 0.460813390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.614114390000000, 0.596676470000000, 0.460813390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.385885610000000, 0.346676470000000, 0.039186610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.885885610000000, 0.346676470000000, 0.039186610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.385885610000000, 0.846676470000000, 0.039186610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.885885610000000, 0.846676470000000, 0.039186610000000 ] mass: 15.999400 reduced_to: 45 - symbol: Ca # 49 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 50 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 51 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 52 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 53 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 53 - symbol: Ca # 54 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 53 - symbol: Ca # 55 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 53 - symbol: Ca # 56 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 53 - symbol: Sr # 57 coordinates: [ 0.379443705000000, 0.230726565000000, 0.249624800000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 58 coordinates: [ 0.879443705000000, 0.230726565000000, 0.249624800000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 59 coordinates: [ 0.379443705000000, 0.730726565000000, 0.249624800000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 60 coordinates: [ 0.879443705000000, 0.730726565000000, 0.249624800000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 61 coordinates: [ 0.120556295000000, 0.480726565000000, 0.250375200000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 62 coordinates: [ 0.620556295000000, 0.480726565000000, 0.250375200000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 63 coordinates: [ 0.120556295000000, 0.980726565000000, 0.250375200000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 64 coordinates: [ 0.620556295000000, 0.980726565000000, 0.250375200000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 65 coordinates: [ 0.379443705000000, 0.019273435000000, 0.749624800000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.879443705000000, 0.019273435000000, 0.749624800000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 67 coordinates: [ 0.379443705000000, 0.519273435000000, 0.749624800000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 68 coordinates: [ 0.879443705000000, 0.519273435000000, 0.749624800000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 69 coordinates: [ 0.120556295000000, 0.269273435000000, 0.750375200000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.620556295000000, 0.269273435000000, 0.750375200000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 71 coordinates: [ 0.120556295000000, 0.769273435000000, 0.750375200000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 72 coordinates: [ 0.620556295000000, 0.769273435000000, 0.750375200000000 ] mass: 87.620000 reduced_to: 69 - symbol: Te # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 77 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 79 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 80 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 77born_effective_charge:- # 1 (O) - [ -1.845022780000000, 0.073399700000000, -0.192021560000000 ] - [ 0.090958860000000, -1.691913620000000, -0.084080380000000 ] - [ -0.166155720000000, -0.057803120000000, -2.736312360000000 ]- # 2 (O) - [ -1.845022780000000, -0.073399700000000, -0.192021560000000 ] - [ -0.090958860000000, -1.691913620000000, 0.084080380000000 ] - [ -0.166155720000000, 0.057803120000000, -2.736312360000000 ]- # 3 (O) - [ -1.845022780000000, 0.073399700000000, -0.192021560000000 ] - [ 0.090958860000000, -1.691913620000000, -0.084080380000000 ] - [ -0.166155720000000, -0.057803120000000, -2.736312360000000 ]- # 4 (O) - [ -1.845022780000000, -0.073399700000000, -0.192021560000000 ] - [ -0.090958860000000, -1.691913620000000, 0.084080380000000 ] - [ -0.166155720000000, 0.057803120000000, -2.736312360000000 ]- # 5 (O) - [ -2.101982460000000, -0.470308310000000, 0.135269210000000 ] - [ -0.513314880000000, -2.409618100000000, 0.154751910000000 ] - [ 0.137949250000000, 0.172044610000000, -1.736185150000000 ]- # 6 (O) - [ -2.101982460000000, 0.470308310000000, 0.135269210000000 ] - [ 0.513314880000000, -2.409618100000000, -0.154751910000000 ] - [ 0.137949250000000, -0.172044610000000, -1.736185150000001 ]- # 7 (O) - [ -2.101982460000000, -0.470308310000000, 0.135269210000000 ] - [ -0.513314880000000, -2.409618100000000, 0.154751910000000 ] - [ 0.137949250000000, 0.172044610000000, -1.736185150000001 ]- # 8 (O) - [ -2.101982460000000, 0.470308310000000, 0.135269210000000 ] - [ 0.513314880000000, -2.409618100000000, -0.154751910000000 ] - [ 0.137949250000000, -0.172044610000000, -1.736185150000001 ]- # 9 (O) - [ -2.352185380000000, -0.496863510000000, 0.058392070000000 ] - [ -0.478153850000000, -2.179006110000000, 0.030293170000000 ] - [ 0.088226290000000, 0.042597320000000, -1.749165190000000 ]- # 10 (O) - [ -2.352185380000000, 0.496863510000000, 0.058392070000000 ] - [ 0.478153850000000, -2.179006110000000, -0.030293170000000 ] - [ 0.088226290000000, -0.042597320000000, -1.749165190000000 ]- # 11 (O) - [ -2.352185380000000, -0.496863510000000, 0.058392070000000 ] - [ -0.478153850000000, -2.179006110000000, 0.030293170000000 ] - [ 0.088226290000000, 0.042597320000000, -1.749165190000000 ]- # 12 (O) - [ -2.352185380000000, 0.496863510000000, 0.058392070000000 ] - [ 0.478153850000000, -2.179006110000000, -0.030293170000000 ] - [ 0.088226290000000, -0.042597320000000, -1.749165190000000 ]- # 13 (Ca) - [ 2.692642880000000, -0.179003800000000, 0.268640580000000 ] - [ 0.109895730000000, 2.725602000000000, 0.046209070000000 ] - [ -0.196156330000000, 0.101328800000000, 2.698083230000000 ]- # 14 (Ca) - [ 2.692642880000000, 0.179003800000000, 0.268640580000000 ] - [ -0.109895730000000, 2.725602000000000, -0.046209070000000 ] - [ -0.196156330000000, -0.101328800000000, 2.698083230000000 ]- # 15 (Sr) - [ 2.532217770000000, 0.099338330000000, -0.057895060000000 ] - [ 0.110638650000000, 2.488948900000000, -0.026010030000000 ] - [ 0.024052090000000, -0.067474090000000, 2.436464070000000 ]- # 16 (Sr) - [ 2.532217770000000, -0.099338330000000, -0.057895060000000 ] - [ -0.110638650000000, 2.488948900000000, 0.026010030000000 ] - [ 0.024052090000000, 0.067474090000000, 2.436464070000000 ]- # 17 (Sr) - [ 2.532217770000000, -0.099338330000000, -0.057895060000000 ] - [ -0.110638650000000, 2.488948900000000, 0.026010030000000 ] - [ 0.024052090000000, 0.067474090000000, 2.436464070000000 ]- # 18 (Sr) - [ 2.532217770000000, 0.099338330000000, -0.057895060000000 ] - [ 0.110638650000000, 2.488948900000000, -0.026010030000000 ] - [ 0.024052090000000, -0.067474090000000, 2.436464070000000 ]- # 19 (Te) - [ 4.841302830000000, -0.101552130000000, -0.156129920000000 ] - [ -0.024139160000000, 4.857575860000000, -0.078919210000000 ] - [ 0.028012510000000, -0.053050540000000, 4.872314020000000 ]- # 20 (Te) - [ 4.841302830000000, 0.101552130000000, -0.156129920000000 ] - [ 0.024139160000000, 4.857575860000000, 0.078919210000000 ] - [ 0.028012510000000, 0.053050540000000, 4.872314020000000 ]dielectric_constant: - 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