# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f592be28-0c41-4fcd-b9b8-0a675a8c3567/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 NaLaO2 / C2/c (15) / materials id 755015](https://mdr.nims.go.jp/datasets/94976896-05df-44fa-92c0-ec4c7ebdb2c6) ## Fulltext elements: [Na, La, 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: [22.99, 138.9, 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: [3.217734094155323e+01, 4.430153319450109e+01, 7.914687386936357e-01, 6.082534809649895e+03, 2.834925077656684e+00, -2.835991481115865e+01, 0.000000000000000e+00, 0.000000000000000e+00, 3.969846040833836e+03, 0.000000000000000e+00, 2.768008757236904e+05, 0.000000000000000e+00, -3.434921860684163e+05, 1.545255765992714e+03, -5.535883766573374e+03, 5.847505269475605e+04, 0.000000000000000e+00, 1.343359722262412e+06, 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