# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7bd60e1d-d19f-455f-b87d-4814a339be90/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 Ba3(AsO4)2 / R-3m (166) / materials id 9783](https://mdr.nims.go.jp/datasets/5acab0ed-fc68-42d5-a4fb-0a52f9c3fb73) ## Fulltext elements: [O, As, Ba]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, 137.3]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: [1.777718556177315e+00, 3.668084623291022e-02, 9.611028919290041e-01, 8.906479908632256e+02, 3.591532521763394e+01, 4.477404224937544e+01, -4.022266266437082e+02, 1.258861222827670e+02, -2.116136023681036e+03, 1.572268382450905e+00, 3.442653555714179e+02, 6.999913900289663e+04, -7.005154650724218e+03, 3.318403895026332e+03, -2.875186211083827e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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