# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e951155a-f219-4d9d-9455-13c8f8b442fc/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 Na5InO4 / Pmmn (59) / materials id 8840](https://mdr.nims.go.jp/datasets/13cdd21f-6a8f-4470-b025-1a667f8c8d48) ## Fulltext elements: [O, Na, In]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, 22.99, 114.8]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: [2.881335790550255e+01, -1.705351344143649e-02, 9.161807497194434e-02, 1.385750496978579e+01, 1.153298946624376e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.262302598257001e+04, 4.409448870603553e+03, 7.581703448591911e+01, 3.776320627962419e+01, 1.238499194085702e+03, 2.554893131377846e+03, 2.042364645829606e+01, 3.106433958862654e+03, 0.000000000000000e+00, 3.682447707436781e+03, -1.171324967023905e+05, 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