# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ebbba2d4-fb47-4c6a-9fb3-9e59b2534281/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 BP / F-43m (216) / materials id 1479](https://mdr.nims.go.jp/datasets/7f9775f9-be3b-4ab6-8dd8-d3fdb113c2da) ## Fulltext elements: [B, P]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, 30.97]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: [2.144078152456081e+00, 2.866738695064434e-01, 8.885085112747587e+00, 3.195297760812900e+04, 2.248682455214469e+03, 5.564024765680109e+00, 1.447535791667151e+03, 1.333956091783435e+04, -1.114387949691466e+05, -2.210231480689434e+03, 2.623633397214007e+01, -1.491285563099612e+03, -4.023557966932037e+04, 0.000000000000000e+00, -2.640706115008739e+03, 9.018125438712659e+00, -3.515552549860436e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.007663135318592e+03, 3.453181517569103e+00, -1.360564362769872e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.956194179681780e+03, -8.320144174360436e+00, -6.963419074830061e+02, 0.000000000000000e+00, 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