# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/248b6588-21c8-41bb-84fe-fe19e3c1efb2/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 Na3PS4 / P-42_1c (114) / materials id 28782](https://mdr.nims.go.jp/datasets/289ac0c9-3b77-4c80-bb4a-d68fb6b9b789) ## Fulltext elements: [Na, P, S]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, 30.97, 32.07]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: [-3.416953487962698e+02, -3.951564031373312e+01, 1.124589621617542e+01, 0.000000000000000e+00, 1.332587428123926e-01, 4.631187284326358e+01, 0.000000000000000e+00, 0.000000000000000e+00, -8.706980561071341e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.076802599835137e+04, 2.184951575894724e+04, -1.400946967893564e+03, 3.782539396807186e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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