# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cb17c94e-7064-4c76-a344-b7d9ccfc9472/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 PrGaO3 / Pnma (62) / materials id 4535](https://mdr.nims.go.jp/datasets/86d8afcc-35e8-4dc7-afc0-6e75f2f151c6) ## Fulltext elements: [O, Ga, Pr]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, 69.72, 140.9]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: [7.344324452844113e+00, -2.317135976591772e-01, 3.554935228396250e-01, 7.155528903313975e+03, 1.463095461107226e+01, 2.908358335246198e+03, -7.424437326549677e+03, 3.974140183723014e+02, 2.410977955406794e+04, 4.916073329202765e+00, 2.103715713936607e+01, -7.400066258498980e+05, -1.353327268492269e+03, -7.827841404161268e+01, 7.426941887985037e+04, 1.466837502115036e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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