# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/78c217e5-deba-4946-ac46-1d6bd5e8173d/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 La2HfO5 / Pnma (62) / materials id 771121](https://mdr.nims.go.jp/datasets/0413bf10-e0e5-4f5d-b4bf-ad291932462d) ## Fulltext elements: [La, Hf, 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, 178.5, 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: [-7.001610182654049e+03, 6.107229942806177e+03, 4.233438578480906e+00, -6.213976566743926e+02, -5.880225231599190e-01, 1.137423869931309e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.376470171518904e+07, 0.000000000000000e+00, 4.351043933678769e+06, 0.000000000000000e+00, 2.406598620718338e+06, -3.301858313859262e+02, -1.420275854174708e+03, -2.042017103231476e+04, 0.000000000000000e+00, 1.322956158572425e+05, 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