# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c60274e9-ae86-4596-acfc-e3848971582f/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 Ba17Dy16Zn8Pt4O57 / I4/m (87) / materials id 556377](https://mdr.nims.go.jp/datasets/162a63a3-9700-4459-9559-04a3d45cb1f1) ## 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: "I4/m" number: 87 Hall_symbol: "-I 4"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -11.383175230000001, 11.383175220000000, 2.845372745000000 ] # a - [ 11.383175230000001, -11.383175220000000, 2.845372745000000 ] # b - [ 11.383175220000000, 11.383175230000001, -2.845372745000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.441562010000000, 0.932561030000000, 0.374123040000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.887932750000000, 0.724151070000000, 0.612083820000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.649523650000000, 0.658266200000000, 0.307789850000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.558437990000000, 0.067438970000000, 0.625876960000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.731983830000000, 0.811144830000000, 0.543128660000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.188855170000000, 0.731983830000000, 0.920839000000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.658266200000000, 0.350476350000000, 0.008742550000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.341733800000000, 0.649523650000000, 0.991257450000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.275848930000000, 0.887932750000000, 0.163781680000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.268016170000000, 0.188855170000000, 0.456871340000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.811144830000000, 0.268016170000000, 0.079161000000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.932561030000000, 0.558437990000000, 0.490999020000000 ] mass: 137.327000 - symbol: Ba # 13 coordinates: [ 0.067438970000000, 0.441562010000000, 0.509000980000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.350476350000000, 0.341733800000000, 0.692210150000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.112067250000000, 0.275848930000000, 0.387916180000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 17 coordinates: [ 0.724151070000000, 0.112067250000000, 0.836218320000000 ] mass: 137.327000 - symbol: Dy # 18 coordinates: [ 0.400142400000000, 0.512130070000000, 0.912272470000000 ] mass: 162.500000 - symbol: Dy # 19 coordinates: [ 0.493748110000000, 0.250085900000000, 0.743834010000000 ] mass: 162.500000 - symbol: Dy # 20 coordinates: [ 0.049648290000000, 0.673836980000000, 0.723485270000000 ] mass: 162.500000 - symbol: Dy # 21 coordinates: [ 0.673836980000000, 0.950351710000000, 0.624188690000000 ] mass: 162.500000 - symbol: Dy # 22 coordinates: [ 0.506251890000000, 0.749914100000000, 0.256165990000000 ] mass: 162.500000 - symbol: Dy # 23 coordinates: [ 0.599857600000000, 0.487869930000000, 0.087727530000000 ] mass: 162.500000 - symbol: Dy # 24 coordinates: [ 0.749914100000000, 0.493748110000000, 0.243662210000000 ] mass: 162.500000 - symbol: Dy # 25 coordinates: [ 0.326163020000000, 0.049648290000000, 0.375811310000000 ] mass: 162.500000 - symbol: Dy # 26 coordinates: [ 0.171846410000000, 0.052408120000000, 0.224254530000000 ] mass: 162.500000 - symbol: Dy # 27 coordinates: [ 0.512130070000000, 0.599857600000000, 0.111987670000000 ] mass: 162.500000 - symbol: Dy # 28 coordinates: [ 0.250085900000000, 0.506251890000000, 0.756337790000000 ] mass: 162.500000 - symbol: Dy # 29 coordinates: [ 0.052408120000000, 0.828153590000000, 0.880561710000000 ] mass: 162.500000 - symbol: Dy # 30 coordinates: [ 0.487869930000000, 0.400142400000000, 0.888012330000000 ] mass: 162.500000 - symbol: Dy # 31 coordinates: [ 0.947591880000000, 0.171846410000000, 0.119438290000000 ] mass: 162.500000 - symbol: Dy # 32 coordinates: [ 0.828153590000000, 0.947591880000000, 0.775745470000000 ] mass: 162.500000 - symbol: Dy # 33 coordinates: [ 0.950351710000000, 0.326163020000000, 0.276514730000000 ] mass: 162.500000 - symbol: Zn # 34 coordinates: [ 0.924451560000000, 0.866734710000000, 0.791186270000000 ] mass: 65.380000 - symbol: Zn # 35 coordinates: [ 0.866734710000000, 0.075548440000000, 0.942283150000000 ] mass: 65.380000 - symbol: Zn # 36 coordinates: [ 0.620966940000000, 0.211919620000000, 0.832886560000000 ] mass: 65.380000 - symbol: Zn # 37 coordinates: [ 0.075548440000000, 0.133265290000000, 0.208813730000000 ] mass: 65.380000 - symbol: Zn # 38 coordinates: [ 0.133265290000000, 0.924451560000000, 0.057716850000000 ] mass: 65.380000 - symbol: Zn # 39 coordinates: [ 0.788080380000000, 0.620966940000000, 0.409047320000000 ] mass: 65.380000 - symbol: Zn # 40 coordinates: [ 0.211919620000000, 0.379033060000000, 0.590952680000000 ] mass: 65.380000 - symbol: Zn # 41 coordinates: [ 0.379033060000000, 0.788080380000000, 0.167113440000000 ] mass: 65.380000 - symbol: Pt # 42 coordinates: [ 0.583106440000000, 0.855695520000000, 0.438801960000000 ] mass: 195.084000 - symbol: Pt # 43 coordinates: [ 0.416893560000000, 0.144304480000000, 0.561198040000000 ] mass: 195.084000 - symbol: Pt # 44 coordinates: [ 0.144304480000000, 0.583106440000000, 0.727410920000000 ] mass: 195.084000 - symbol: Pt # 45 coordinates: [ 0.855695520000000, 0.416893560000000, 0.272589080000000 ] mass: 195.084000 - symbol: O # 46 coordinates: [ 0.001278380000000, 0.176697010000000, 0.680488530000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.924621890000000, 0.280575450000000, 0.688542200000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.660278790000000, 0.684537670000000, 0.845252380000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.496208480000000, 0.320789850000000, 0.319511470000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.760435040000000, 0.701267910000000, 0.461702950000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.768913620000000, 0.391715240000000, 0.160628860000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.928011470000000, 0.723511790000000, 0.148194040000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.839285290000000, 0.815026410000000, 0.154747620000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.110302110000000, 0.878424210000000, 0.479694760000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.679210150000000, 0.998721620000000, 0.175418630000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.998721620000000, 0.823302990000000, 0.319511470000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.503791520000000, 0.679210150000000, 0.680488530000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.055089920000000, 0.564978060000000, 0.620067980000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.075378110000000, 0.719424550000000, 0.311457800000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.231086380000000, 0.608284760000000, 0.839371140000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.779817430000000, 0.928011470000000, 0.204499680000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.160714710000000, 0.184973590000000, 0.845252380000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.391715240000000, 0.231086380000000, 0.622801620000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.575317750000000, 0.779817430000000, 0.851805960000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.407966750000000, 0.763920310000000, 0.688542200000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.564978060000000, 0.944910080000000, 0.509888140000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.944910080000000, 0.435021940000000, 0.379932020000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.280575450000000, 0.592033250000000, 0.355953560000000 ] mass: 15.999400 - 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symbol: O # 79 coordinates: [ 0.220182570000000, 0.071988530000000, 0.795500320000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.842487100000000, 0.840614640000000, 0.683101740000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.276488210000000, 0.424682250000000, 0.204499680000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.398729450000000, 0.630607350000000, 0.520305240000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.369392650000000, 0.889697890000000, 0.768122100000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.320789850000000, 0.001278380000000, 0.824581370000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.608284760000000, 0.768913620000000, 0.377198380000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.184973590000000, 0.339721210000000, 0.024258880000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.723511790000000, 0.575317750000000, 0.795500320000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.630607350000000, 0.110302110000000, 0.231877900000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.684537670000000, 0.839285290000000, 0.024258880000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.071988530000000, 0.276488210000000, 0.851805960000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.239564960000000, 0.298732090000000, 0.538297050000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.815026410000000, 0.660278790000000, 0.975741120000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.601270550000000, 0.369392650000000, 0.479694760000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.176697010000000, 0.496208480000000, 0.175418630000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.424682250000000, 0.220182570000000, 0.148194040000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.823302990000000, 0.503791520000000, 0.824581370000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.315462330000000, 0.160714710000000, 0.975741120000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.878424210000000, 0.398729450000000, 0.768122100000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.435021940000000, 0.055089920000000, 0.490111860000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.236079690000000, 0.924621890000000, 0.644046440000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.339721210000000, 0.315462330000000, 0.154747620000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.298732090000000, 0.760435040000000, 0.059167130000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000019294, 0.043924475387314, 0.175723901509431 ] # a* - [ 0.043924475387314, 0.000000000019294, 0.175723901509431 ] # b* - [ 0.043924475368021, 0.043924475406608, 0.000000000000000 ] # c*unit_cell: lattice: - [ 22.766350450000001, 0.000000010000000, 0.000000000000000 ] # a - [ -0.000000010000000, 22.766350450000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.690745490000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.932561030000000, 0.441562010000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.224151070000000, 0.387932750000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.658266200000000, 0.649523650000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.067438970000000, 0.558437990000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.811144830000000, 0.731983830000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.231983830000000, 0.688855170000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.850476350000000, 0.158266200000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.149523650000000, 0.841733800000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.887932750000000, 0.275848930000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.188855170000000, 0.268016170000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.768016170000000, 0.311144830000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.058437990000000, 0.432561030000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.941562010000000, 0.567438970000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.341733800000000, 0.350476350000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.775848930000000, 0.612067250000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.112067250000000, 0.724151070000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.432561030000000, 0.941562010000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 19 coordinates: [ 0.724151070000000, 0.887932750000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 20 coordinates: [ 0.158266200000000, 0.149523650000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 21 coordinates: [ 0.567438970000000, 0.058437990000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 22 coordinates: [ 0.311144830000000, 0.231983830000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 23 coordinates: [ 0.731983830000000, 0.188855170000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 24 coordinates: [ 0.350476350000000, 0.658266200000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 25 coordinates: [ 0.649523650000000, 0.341733800000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 26 coordinates: [ 0.387932750000000, 0.775848930000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 27 coordinates: [ 0.688855170000000, 0.768016170000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 28 coordinates: [ 0.268016170000000, 0.811144830000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 29 coordinates: [ 0.558437990000000, 0.932561030000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 30 coordinates: [ 0.441562010000000, 0.067438970000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 31 coordinates: [ 0.841733800000000, 0.850476350000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 32 coordinates: [ 0.275848930000000, 0.112067250000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 34 coordinates: [ 0.612067250000000, 0.224151070000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 17 - symbol: Dy # 35 coordinates: [ 0.012130070000000, 0.900142400000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 35 - symbol: Dy # 36 coordinates: [ 0.250085900000000, 0.493748110000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 36 - symbol: Dy # 37 coordinates: [ 0.173836980000000, 0.549648290000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 37 - symbol: Dy # 38 coordinates: [ 0.950351710000000, 0.673836980000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 38 - symbol: Dy # 39 coordinates: [ 0.749914100000000, 0.506251890000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 39 - symbol: Dy # 40 coordinates: [ 0.987869930000000, 0.099857600000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 40 - symbol: Dy # 41 coordinates: [ 0.993748110000000, 0.249914100000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 41 - symbol: Dy # 42 coordinates: [ 0.049648290000000, 0.326163020000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 42 - symbol: Dy # 43 coordinates: [ 0.052408120000000, 0.171846410000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 43 - symbol: Dy # 44 coordinates: [ 0.599857600000000, 0.512130070000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 44 - symbol: Dy # 45 coordinates: [ 0.006251890000000, 0.750085900000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 45 - symbol: Dy # 46 coordinates: [ 0.328153590000000, 0.552408120000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 46 - symbol: Dy # 47 coordinates: [ 0.400142400000000, 0.487869930000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 47 - symbol: Dy # 48 coordinates: [ 0.671846410000000, 0.447591880000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 48 - symbol: Dy # 49 coordinates: [ 0.947591880000000, 0.828153590000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 49 - symbol: Dy # 50 coordinates: [ 0.826163020000000, 0.450351710000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 50 - symbol: Dy # 51 coordinates: [ 0.512130070000000, 0.400142400000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 35 - symbol: Dy # 52 coordinates: [ 0.750085900000000, 0.993748110000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 36 - symbol: Dy # 53 coordinates: [ 0.673836980000000, 0.049648290000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 37 - symbol: Dy # 54 coordinates: [ 0.450351710000000, 0.173836980000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 38 - symbol: Dy # 55 coordinates: [ 0.249914100000000, 0.006251890000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 39 - symbol: Dy # 56 coordinates: [ 0.487869930000000, 0.599857600000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 40 - symbol: Dy # 57 coordinates: [ 0.493748110000000, 0.749914100000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 41 - symbol: Dy # 58 coordinates: [ 0.549648290000000, 0.826163020000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 42 - symbol: Dy # 59 coordinates: [ 0.552408120000000, 0.671846410000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 43 - symbol: Dy # 60 coordinates: [ 0.099857600000000, 0.012130070000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 44 - symbol: Dy # 61 coordinates: [ 0.506251890000000, 0.250085900000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 45 - symbol: Dy # 62 coordinates: [ 0.828153590000000, 0.052408120000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 46 - symbol: Dy # 63 coordinates: [ 0.900142400000000, 0.987869930000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 47 - symbol: Dy # 64 coordinates: [ 0.171846410000000, 0.947591880000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 48 - 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