# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a34f773-8c92-4b3a-9a07-d34451d461df/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 YAsO4 / I4_1/amd (141) / materials id 8058](https://mdr.nims.go.jp/datasets/f098b9e6-eb0a-43b4-ae75-d281988d91cc) ## Fulltext elements: [O, As, Y]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, 74.92, 88.91]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: [1.168066631505930e+00, 3.919252566898580e-02, 1.625016999828801e-01, -1.323356431867598e+03, 1.651543729444228e+01, -1.023676861496102e+01, 7.692439111543741e+02, 6.315260517515826e+01, 3.303333107575254e+02, 1.283361438005514e+00, 7.349204928192090e+00, -5.907363593882642e+04, -1.108478237205815e+02, 5.327088137751009e+01, 1.507284852670146e+04, 3.410640780342261e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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