# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d3d63dff-0bf6-44fd-9b79-5f780837b6e5/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 As2PbS4 / Pnma (62) / materials id 19941](https://mdr.nims.go.jp/datasets/fb5050e6-7efb-4eb4-a0b1-7078450b0d24) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.964418520000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.703688070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.924365290000001 ] # c points: - symbol: S # 1 coordinates: [ 0.817267660000000, 0.250000000000000, 0.044847970000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.317267660000000, 0.250000000000000, 0.455152030000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.182732340000000, 0.750000000000000, 0.955152030000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.682732340000000, 0.750000000000000, 0.544847970000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.484389510000000, 0.750000000000000, 0.083626320000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.984389510000000, 0.750000000000000, 0.416373680000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.515610490000000, 0.250000000000000, 0.916373680000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.015610490000000, 0.250000000000000, 0.583626320000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.170540990000000, 0.250000000000000, 0.144561970000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.670540990000000, 0.250000000000000, 0.355438030000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.829459010000000, 0.750000000000000, 0.855438030000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.329459010000000, 0.750000000000000, 0.644561970000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.612651240000000, 0.250000000000000, 0.724195390000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.112651240000000, 0.250000000000000, 0.775804610000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.387348760000000, 0.750000000000000, 0.275804610000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.887348760000000, 0.750000000000000, 0.224195390000000 ] mass: 32.065000 - symbol: As # 17 coordinates: [ 0.335135580000000, 0.250000000000000, 0.011513680000000 ] mass: 74.921600 - symbol: As # 18 coordinates: [ 0.835135580000000, 0.250000000000000, 0.488486320000000 ] mass: 74.921600 - symbol: As # 19 coordinates: [ 0.664864420000000, 0.750000000000000, 0.988486320000000 ] mass: 74.921600 - symbol: As # 20 coordinates: [ 0.164864420000000, 0.750000000000000, 0.511513680000000 ] mass: 74.921600 - symbol: As # 21 coordinates: [ 0.007803220000000, 0.750000000000000, 0.112027510000000 ] mass: 74.921600 - symbol: As # 22 coordinates: [ 0.507803220000000, 0.750000000000000, 0.387972490000000 ] mass: 74.921600 - symbol: As # 23 coordinates: [ 0.992196780000000, 0.250000000000000, 0.887972490000000 ] mass: 74.921600 - symbol: As # 24 coordinates: [ 0.492196780000000, 0.250000000000000, 0.612027510000000 ] mass: 74.921600 - symbol: Pb # 25 coordinates: [ 0.656184100000000, 0.250000000000000, 0.190276720000000 ] mass: 207.200000 - symbol: Pb # 26 coordinates: [ 0.156184100000000, 0.250000000000000, 0.309723280000000 ] mass: 207.200000 - symbol: Pb # 27 coordinates: [ 0.343815900000000, 0.750000000000000, 0.809723280000000 ] mass: 207.200000 - symbol: Pb # 28 coordinates: [ 0.843815900000000, 0.750000000000000, 0.690276720000000 ] mass: 207.200000 reciprocal_lattice: # without 2pi - [ 0.111552132217941, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.270001139701811, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.055789981057678 ] # c*unit_cell: lattice: - [ 8.964418520000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.703688070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.924365290000001 ] # c points: - symbol: S # 1 coordinates: [ 0.817267660000000, 0.250000000000000, 0.044847970000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.317267660000000, 0.250000000000000, 0.455152030000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.182732340000000, 0.750000000000000, 0.955152030000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.682732340000000, 0.750000000000000, 0.544847970000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.484389510000000, 0.750000000000000, 0.083626320000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.984389510000000, 0.750000000000000, 0.416373680000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.515610490000000, 0.250000000000000, 0.916373680000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.015610490000000, 0.250000000000000, 0.583626320000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.170540990000000, 0.250000000000000, 0.144561970000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.670540990000000, 0.250000000000000, 0.355438030000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.829459010000000, 0.750000000000000, 0.855438030000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.329459010000000, 0.750000000000000, 0.644561970000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.612651240000000, 0.250000000000000, 0.724195390000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.112651240000000, 0.250000000000000, 0.775804610000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.387348760000000, 0.750000000000000, 0.275804610000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.887348760000000, 0.750000000000000, 0.224195390000000 ] mass: 32.065000 reduced_to: 16 - symbol: As # 17 coordinates: [ 0.335135580000000, 0.250000000000000, 0.011513680000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.835135580000000, 0.250000000000000, 0.488486320000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 19 coordinates: [ 0.664864420000000, 0.750000000000000, 0.988486320000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.164864420000000, 0.750000000000000, 0.511513680000000 ] mass: 74.921600 reduced_to: 20 - symbol: As # 21 coordinates: [ 0.007803220000000, 0.750000000000000, 0.112027510000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 22 coordinates: [ 0.507803220000000, 0.750000000000000, 0.387972490000000 ] mass: 74.921600 reduced_to: 22 - symbol: As # 23 coordinates: [ 0.992196780000000, 0.250000000000000, 0.887972490000000 ] mass: 74.921600 reduced_to: 23 - symbol: As # 24 coordinates: [ 0.492196780000000, 0.250000000000000, 0.612027510000000 ] mass: 74.921600 reduced_to: 24 - symbol: Pb # 25 coordinates: [ 0.656184100000000, 0.250000000000000, 0.190276720000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.156184100000000, 0.250000000000000, 0.309723280000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 27 coordinates: [ 0.343815900000000, 0.750000000000000, 0.809723280000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.843815900000000, 0.750000000000000, 0.690276720000000 ] mass: 207.200000 reduced_to: 28supercell: lattice: - [ 8.964418520000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.111064210000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.924365290000001 ] # c points: - symbol: S # 1 coordinates: [ 0.817267660000000, 0.083333333333333, 0.044847970000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.817267660000000, 0.416666666666667, 0.044847970000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.817267660000000, 0.750000000000000, 0.044847970000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.317267660000000, 0.083333333333333, 0.455152030000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.317267660000000, 0.416666666666667, 0.455152030000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 6 coordinates: [ 0.317267660000000, 0.750000000000000, 0.455152030000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 7 coordinates: [ 0.182732340000000, 0.250000000000000, 0.955152030000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.182732340000000, 0.583333333333333, 0.955152030000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.182732340000000, 0.916666666666667, 0.955152030000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 10 coordinates: [ 0.682732340000000, 0.250000000000000, 0.544847970000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.682732340000000, 0.583333333333333, 0.544847970000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 12 coordinates: [ 0.682732340000000, 0.916666666666667, 0.544847970000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 13 coordinates: [ 0.484389510000000, 0.250000000000000, 0.083626320000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.484389510000000, 0.583333333333333, 0.083626320000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.484389510000000, 0.916666666666667, 0.083626320000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.984389510000000, 0.250000000000000, 0.416373680000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.984389510000000, 0.583333333333333, 0.416373680000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 18 coordinates: [ 0.984389510000000, 0.916666666666667, 0.416373680000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 19 coordinates: [ 0.515610490000000, 0.083333333333333, 0.916373680000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.515610490000000, 0.416666666666667, 0.916373680000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.515610490000000, 0.750000000000000, 0.916373680000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 22 coordinates: [ 0.015610490000000, 0.083333333333333, 0.583626320000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.015610490000000, 0.416666666666667, 0.583626320000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 24 coordinates: [ 0.015610490000000, 0.750000000000000, 0.583626320000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 25 coordinates: [ 0.170540990000000, 0.083333333333333, 0.144561970000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.170540990000000, 0.416666666666667, 0.144561970000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.170540990000000, 0.750000000000000, 0.144561970000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.670540990000000, 0.083333333333333, 0.355438030000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.670540990000000, 0.416666666666667, 0.355438030000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 30 coordinates: [ 0.670540990000000, 0.750000000000000, 0.355438030000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 31 coordinates: [ 0.829459010000000, 0.250000000000000, 0.855438030000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.829459010000000, 0.583333333333333, 0.855438030000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.829459010000000, 0.916666666666667, 0.855438030000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 34 coordinates: [ 0.329459010000000, 0.250000000000000, 0.644561970000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.329459010000000, 0.583333333333333, 0.644561970000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 36 coordinates: [ 0.329459010000000, 0.916666666666667, 0.644561970000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 37 coordinates: [ 0.612651240000000, 0.083333333333333, 0.724195390000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.612651240000000, 0.416666666666667, 0.724195390000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.612651240000000, 0.750000000000000, 0.724195390000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.112651240000000, 0.083333333333333, 0.775804610000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.112651240000000, 0.416666666666667, 0.775804610000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 42 coordinates: [ 0.112651240000000, 0.750000000000000, 0.775804610000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 43 coordinates: [ 0.387348760000000, 0.250000000000000, 0.275804610000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.387348760000000, 0.583333333333333, 0.275804610000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 45 coordinates: [ 0.387348760000000, 0.916666666666667, 0.275804610000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 46 coordinates: [ 0.887348760000000, 0.250000000000000, 0.224195390000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.887348760000000, 0.583333333333333, 0.224195390000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 48 coordinates: [ 0.887348760000000, 0.916666666666667, 0.224195390000000 ] mass: 32.065000 reduced_to: 46 - symbol: As # 49 coordinates: [ 0.335135580000000, 0.083333333333333, 0.011513680000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.335135580000000, 0.416666666666667, 0.011513680000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 51 coordinates: [ 0.335135580000000, 0.750000000000000, 0.011513680000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 52 coordinates: [ 0.835135580000000, 0.083333333333333, 0.488486320000000 ] mass: 74.921600 reduced_to: 52 - symbol: As # 53 coordinates: [ 0.835135580000000, 0.416666666666667, 0.488486320000000 ] mass: 74.921600 reduced_to: 52 - symbol: As # 54 coordinates: [ 0.835135580000000, 0.750000000000000, 0.488486320000000 ] mass: 74.921600 reduced_to: 52 - symbol: As # 55 coordinates: [ 0.664864420000000, 0.250000000000000, 0.988486320000000 ] mass: 74.921600 reduced_to: 55 - symbol: As # 56 coordinates: [ 0.664864420000000, 0.583333333333333, 0.988486320000000 ] mass: 74.921600 reduced_to: 55 - symbol: As # 57 coordinates: [ 0.664864420000000, 0.916666666666667, 0.988486320000000 ] mass: 74.921600 reduced_to: 55 - symbol: As # 58 coordinates: [ 0.164864420000000, 0.250000000000000, 0.511513680000000 ] mass: 74.921600 reduced_to: 58 - symbol: As # 59 coordinates: [ 0.164864420000000, 0.583333333333333, 0.511513680000000 ] mass: 74.921600 reduced_to: 58 - symbol: As # 60 coordinates: [ 0.164864420000000, 0.916666666666667, 0.511513680000000 ] mass: 74.921600 reduced_to: 58 - symbol: As # 61 coordinates: [ 0.007803220000000, 0.250000000000000, 0.112027510000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 62 coordinates: [ 0.007803220000000, 0.583333333333333, 0.112027510000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 63 coordinates: [ 0.007803220000000, 0.916666666666667, 0.112027510000000 ] mass: 74.921600 reduced_to: 61 - symbol: As # 64 coordinates: [ 0.507803220000000, 0.250000000000000, 0.387972490000000 ] mass: 74.921600 reduced_to: 64 - symbol: As # 65 coordinates: [ 0.507803220000000, 0.583333333333333, 0.387972490000000 ] mass: 74.921600 reduced_to: 64 - symbol: As # 66 coordinates: [ 0.507803220000000, 0.916666666666667, 0.387972490000000 ] mass: 74.921600 reduced_to: 64 - symbol: As # 67 coordinates: [ 0.992196780000000, 0.083333333333333, 0.887972490000000 ] mass: 74.921600 reduced_to: 67 - symbol: As # 68 coordinates: [ 0.992196780000000, 0.416666666666667, 0.887972490000000 ] mass: 74.921600 reduced_to: 67 - symbol: As # 69 coordinates: [ 0.992196780000000, 0.750000000000000, 0.887972490000000 ] mass: 74.921600 reduced_to: 67 - symbol: As # 70 coordinates: [ 0.492196780000000, 0.083333333333333, 0.612027510000000 ] mass: 74.921600 reduced_to: 70 - symbol: As # 71 coordinates: [ 0.492196780000000, 0.416666666666667, 0.612027510000000 ] mass: 74.921600 reduced_to: 70 - symbol: As # 72 coordinates: [ 0.492196780000000, 0.750000000000000, 0.612027510000000 ] mass: 74.921600 reduced_to: 70 - symbol: Pb # 73 coordinates: [ 0.656184100000000, 0.083333333333333, 0.190276720000000 ] mass: 207.200000 reduced_to: 73 - symbol: Pb # 74 coordinates: [ 0.656184100000000, 0.416666666666667, 0.190276720000000 ] mass: 207.200000 reduced_to: 73 - symbol: Pb # 75 coordinates: [ 0.656184100000000, 0.750000000000000, 0.190276720000000 ] mass: 207.200000 reduced_to: 73 - symbol: Pb # 76 coordinates: [ 0.156184100000000, 0.083333333333333, 0.309723280000000 ] mass: 207.200000 reduced_to: 76 - symbol: Pb # 77 coordinates: [ 0.156184100000000, 0.416666666666667, 0.309723280000000 ] mass: 207.200000 reduced_to: 76 - symbol: Pb # 78 coordinates: [ 0.156184100000000, 0.750000000000000, 0.309723280000000 ] mass: 207.200000 reduced_to: 76 - symbol: Pb # 79 coordinates: [ 0.343815900000000, 0.250000000000000, 0.809723280000000 ] mass: 207.200000 reduced_to: 79 - symbol: Pb # 80 coordinates: [ 0.343815900000000, 0.583333333333333, 0.809723280000000 ] mass: 207.200000 reduced_to: 79 - symbol: Pb # 81 coordinates: [ 0.343815900000000, 0.916666666666667, 0.809723280000000 ] mass: 207.200000 reduced_to: 79 - symbol: Pb # 82 coordinates: [ 0.843815900000000, 0.250000000000000, 0.690276720000000 ] mass: 207.200000 reduced_to: 82 - symbol: Pb # 83 coordinates: [ 0.843815900000000, 0.583333333333333, 0.690276720000000 ] mass: 207.200000 reduced_to: 82 - symbol: Pb # 84 coordinates: [ 0.843815900000000, 0.916666666666667, 0.690276720000000 ] mass: 207.200000 reduced_to: 82born_effective_charge:- # 1 (S) - [ -3.117038710000000, 0.000000000000000, -0.416685060000000 ] - [ 0.000000000000000, -5.732129130000000, 0.000000000000000 ] - [ -0.697405520000000, 0.000000000000000, -3.194897550000000 ]- # 2 (S) - [ -3.117038710000000, 0.000000000000000, 0.416685060000000 ] - [ 0.000000000000000, -5.732129130000000, 0.000000000000000 ] - [ 0.697405520000000, 0.000000000000000, -3.194897550000000 ]- # 3 (S) - [ -3.117038710000000, 0.000000000000000, -0.416685060000000 ] - [ 0.000000000000000, -5.732129130000000, 0.000000000000000 ] - [ -0.697405520000000, 0.000000000000000, -3.194897550000000 ]- # 4 (S) - [ -3.117038710000000, 0.000000000000000, 0.416685060000000 ] - [ 0.000000000000000, -5.732129130000000, 0.000000000000000 ] - [ 0.697405520000000, 0.000000000000000, -3.194897550000000 ]- # 5 (S) - [ -3.727069910000000, 0.000000000000000, 0.366776990000000 ] - [ 0.000000000000000, -4.459642310000000, 0.000000000000000 ] - [ -0.541200050000000, 0.000000000000000, -2.845335440000000 ]- # 6 (S) - [ -3.727069910000000, 0.000000000000000, -0.366776990000000 ] - [ 0.000000000000000, -4.459642310000000, 0.000000000000000 ] - [ 0.541200050000000, 0.000000000000000, -2.845335440000000 ]- # 7 (S) - [ -3.727069910000000, 0.000000000000000, 0.366776990000000 ] - [ 0.000000000000000, -4.459642310000000, 0.000000000000000 ] - [ -0.541200050000000, 0.000000000000000, -2.845335440000000 ]- # 8 (S) - [ -3.727069910000000, 0.000000000000000, -0.366776990000000 ] - [ 0.000000000000000, -4.459642310000000, 0.000000000000000 ] - [ 0.541200050000000, 0.000000000000000, -2.845335440000000 ]- # 9 (S) - [ -2.651547350000000, 0.000000000000000, 0.476286140000000 ] - [ 0.000000000000000, -4.833477870000000, 0.000000000000000 ] - [ 0.151428250000000, 0.000000000000000, -3.173378440000000 ]- # 10 (S) - [ -2.651547350000000, 0.000000000000000, -0.476286140000000 ] - [ 0.000000000000000, -4.833477870000000, 0.000000000000000 ] - 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