# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/68d2ab23-2e1f-40b0-85f2-1346a79d23df/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 [First-principles lattice thermal conductivity calculation for BiSbO4 / C2/c (15) / materials id 23018](https://mdr.nims.go.jp/datasets/502c6b89-5c65-4c48-931b-5fa0bf610cdf) ## Fulltext elements: [O, Sb, Bi]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 121.8, 209.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.323370088075210e+01, 2.011684003763465e-01, -8.677420689367873e-03, 8.008284660078571e+03, 5.180488239493856e+03, 4.252310540121288e+02, -1.038890161814892e+03, 1.055676163511313e+03, 4.723506799819599e+03, 1.307788004578843e+01, 2.705660614866645e+01, 6.661963374844400e+05, 7.031666780390299e+05, 1.200297126293785e+02, 1.595846143969307e+06, 1.173031765167588e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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