# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9cbfbc50-0945-4116-ad8d-8abebef397d8/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 BaSeO3 / P2_1/m (11) / materials id 6989](https://mdr.nims.go.jp/datasets/c1b5e01a-f236-48ba-9c3a-feee70667351) ## Fulltext elements: [O, Se, Ba]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, 78.96, 137.3]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: [2.906597068452682e+00, -1.910899044926640e-01, 8.959209522827638e+00, 5.809733650509575e+02, 2.700211894266375e+02, 1.606993218219725e+06, -2.117284506785340e+04, 1.640946601974182e+02, 4.814070065435523e+04, 1.145000951171138e+01, -4.945252566384626e+03, 1.927907766158508e+04, -7.392738407731046e+04, 9.097631328403342e+03, -2.578295020627558e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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