# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ac19025f-d1a1-4035-9bc9-478c48eb6924/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 LuHO2 / Pmn2_1 (31) / materials id 753947](https://mdr.nims.go.jp/datasets/0e5bf9fb-6d89-4cba-836f-eeeaf1171751) ## Fulltext elements: [Lu, H, 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: [175.0, 1.008, 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: [1.485362357582292e+03, 4.978694303590853e+00, 2.756552385806434e+00, 5.208126425580789e+02, -1.191112181490259e+00, 7.418648600245127e-01, 0.000000000000000e+00, -1.499208509929318e+06, 5.282685571356560e+05, 2.023470239046875e+03, 8.527964227892434e+02, 3.054410909655661e+05, 8.172407903265557e+01, 5.559798727551038e+01, -9.938567862172137e+01, 3.318309314556567e+03, 0.000000000000000e+00, -1.190574506027503e+05, 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