# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0a4541ea-638e-4464-9d61-90c73678194e/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 Er2P4O13 / C2/c (15) / materials id 773003](https://mdr.nims.go.jp/datasets/e5b410ba-1186-4c6b-aa3c-99bc11d727c2) ## Fulltext elements: [Er, P, 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: [167.3, 30.97, 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: 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: [4.693961464937661e+03, 1.533900167641158e+01, 5.739999917107996e-02, 4.862698544475121e+00, -4.138551483372155e-02, 2.917263556319980e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.324824543420293e+06, -2.456531411840766e+05, 1.043778106087691e+04, -1.064906964546569e+06, 2.303369492017429e+02, 1.321091923426657e+02, -7.888119351313415e+01, 1.321554322375242e+03, 2.083628198524201e+05, -7.360754094835548e+01, 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