# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1318295d-d8ab-4e56-8a40-6d15aa93e8a3/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 La3Pt3O11 / Pn-3 (201) / materials id 768523](https://mdr.nims.go.jp/datasets/2c7cd3f1-4a4e-45df-82c8-75acc39a108b) ## Fulltext elements: [La, Pt, 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, 195.1, 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: [2.376912428417012e+02, -8.758399888183311e+01, 2.660072120614171e-01, 1.945126957232906e+00, 9.528852426450977e-02, 3.982081388240429e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.461259117613785e+03, 0.000000000000000e+00, 1.273827288567676e+05, 0.000000000000000e+00, -6.734736227416928e+04, 1.568649875946849e+02, -2.840181846706840e+02, 7.031428137880204e+02, 6.015133197402819e+04, 5.193242177037569e+02, 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