# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/24d16972-3c98-47e5-bfa3-476d305cb628/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 BaLu2O4 / Pnma (62) / materials id 752442](https://mdr.nims.go.jp/datasets/443764b8-89c9-4f21-b1e8-a9f48ce9b6b9) ## Fulltext elements: [Ba, Lu, 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: [137.3, 175.0, 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: [-1.757263923054387e+02, 9.437596734692839e+01, -1.155121247243220e-01, 5.722988195251316e+02, 1.743403604194495e-01, 1.195488510318152e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.806864853049159e+04, 0.000000000000000e+00, -1.932677274290270e+05, 0.000000000000000e+00, -2.447026189176822e+05, -1.291739737952264e+04, -5.161975765607423e+03, -6.224778381252220e+04, 0.000000000000000e+00, 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