# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7ee2c876-2952-433d-b1ed-16946e6ee869/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 YAlO3 / Pnma (62) / materials id 3792](https://mdr.nims.go.jp/datasets/44776cf6-76f4-4309-978b-e01c34df14c5) ## Fulltext elements: [O, Al, Y]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, 26.98, 88.91]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: [4.611864953122442e+00, -1.826337406739721e-01, 2.684414582856625e-01, 3.054947301979197e+03, 1.366106831119389e+01, 2.501237289726259e+02, 1.284242968303041e+02, 1.518913512227446e+02, 1.187338870210447e+04, 1.549402922501859e+00, 4.417700620307804e+01, 2.420842816635864e+05, -2.025259530844900e+02, 7.629349427998666e+01, 1.696786957519423e+04, 2.017879561407242e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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