# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ef880385-74cc-4602-bf7a-375b0c954be9/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 BiO2 / C2/c (15) / materials id 557993](https://mdr.nims.go.jp/datasets/40ea0bc5-14d1-4599-b180-470f7dbc78fe) ## Fulltext elements: [Bi, O]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: [209.0, 16.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-5.363744087081093e+03, 2.278796065526819e+00, -5.880570852682911e+00, 0.000000000000000e+00, -1.911946981717156e+05, 4.808549065777226e+01, 9.825019317789105e+03, 2.579934992235895e+04, 0.000000000000000e+00, -1.053316897577411e+06, 6.364327707326362e+02, 8.074477171418082e+04, 4.312517573192268e+04, 0.000000000000000e+00, 2.577351939378017e+07, 2.997602320441540e+02, 2.165623237042452e+03, -7.507637491670702e+04, 0.000000000000000e+00, -4.456893219692360e+06, -1.235220163975866e+02, -1.114507190258872e+04, 2.355228369060623e+04, 0.000000000000000e+00, -1.276373257532886e+06, 4.018776223860087e+00, -2.183703605715170e+04, 2.601000482725299e+04, 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