# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/438fc20e-85fe-4c9b-bc10-fc1c8a5c794c/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 ErTaO4 / C2/c (15) / materials id 5503](https://mdr.nims.go.jp/datasets/305a5592-a09f-4b79-8728-40b6f843508e) ## Fulltext elements: [O, Er, Ta]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: [16.0, 167.3, 180.9]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: [7.028331362414744e+00, -1.208185979727262e-01, 3.051533358929011e-01, 2.232025473858405e+03, 6.611643636583060e+02, 4.132075853544779e+02, -4.181903617669748e+03, -8.855926579893635e+02, 2.209170736720666e+03, 1.337865077925958e+02, -2.704660816878185e+02, 6.261594689290234e+05, 1.433756432627722e+06, 3.785815067693088e+01, 1.781499814487717e+05, 2.251767821069646e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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