# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/50daf87c-1aa9-4b3f-857a-e3b0bf850d9a/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 LaAlO3 / Cmcm (63) / materials id 768518](https://mdr.nims.go.jp/datasets/ec9c6cb3-d9ab-4118-b2c4-fa201d8b8f41) ## Fulltext elements: [La, 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: [138.9, 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: [1.250116245395246e+04, 1.197468759162456e+02, 6.199558302947453e-01, 1.268050519641963e+01, -8.368495735594389e-02, 1.224819453115273e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.855291518970618e+05, 6.246076657927009e+04, -5.235507807252330e+05, -7.194920956201184e+02, 1.409580209973223e+01, 1.239914477735469e+02, 2.810544036669199e+04, 5.255281891310283e+05, 2.430464883848829e+01, 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