# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/311c32a9-287c-47a7-a473-f3551f745692/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 BaP3 / C2/m (12) / materials id 7808](https://mdr.nims.go.jp/datasets/11e1a2b0-91bd-4db2-b1a3-9869c67ad2d2) ## Fulltext elements: [P, 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: [30.97, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.363018344651646e+00, -1.443632489623750e+02, -2.093647820750318e+04, -1.058299350994587e+03, -8.169755291669561e+03, -2.067074852115082e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.292280463391244e+03, 7.780645497600704e+05, -4.502557176823131e+07, 0.000000000000000e+00, 0.000000000000000e+00, 7.658239901635799e+03, -3.055640649365013e+05, -1.524291449725333e+07, 0.000000000000000e+00, 0.000000000000000e+00, 2.859048941065242e+02, -3.497536045012699e+05, 5.561893491924529e+07, 0.000000000000000e+00, 0.000000000000000e+00, 2.314162580151494e+03, -6.756445510473872e+05, -4.695920302117502e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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