# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/73390c07-04fb-45d8-a6c2-bb0c2035613d/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 ErAlO3 / Pnma (62) / materials id 756458](https://mdr.nims.go.jp/datasets/aa28f78b-6954-4c0b-adc8-59ca1ff6e333) ## Fulltext elements: [Er, Al, O]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: [167.3, 26.98, 16.0]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: [-1.165332950139981e+00, 4.607571223171480e+00, 2.837523678404965e-01, 1.850878033153982e+02, -7.566532000018276e-02, 3.307400906631966e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.305396982225446e+02, 2.066919578314847e+04, 2.027727278307528e+03, 0.000000000000000e+00, -1.557078466187122e+01, 6.144725257364134e+01, 3.671856493326720e+01, 2.966671022605243e+03, 0.000000000000000e+00, 1.040772777103156e+05, 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