# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/31c4a202-691b-44d2-ade5-94089c9807e2/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 Ba(BS2)2 / Cc (9) / materials id 30126](https://mdr.nims.go.jp/datasets/cdb5011c-00d7-4aed-b53d-71650a8ed5b7) ## Fulltext elements: [B, S, 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: [10.81, 32.07, 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: [-2.740963378598528e+01, -2.105302324925906e-01, 1.652858598382618e+00, -2.705722275578904e+01, 1.131766874178334e+02, 0.000000000000000e+00, 1.554677642269086e+06, -1.636359889650244e+02, 0.000000000000000e+00, 4.379739533557607e+00, 1.483976355195621e+05, 4.777255923297292e+03, 2.697541578176083e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.071475522364237e+06, -1.398029412172575e+06, 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