# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fe573805-bbea-43e3-afb5-763b3dc5afd7/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 NaBF4 / Cmcm (63) / materials id 3521](https://mdr.nims.go.jp/datasets/e2eab696-c7a7-4c8e-b071-d48814d223fe) ## Fulltext elements: [B, F, Na]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, 19.0, 22.99]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: [4.268681185447085e+01, -3.461763663191991e-02, 2.096314951423787e+01, 5.136828868444872e-01, -5.265685404899413e-02, -9.736721907075408e+01, 0.000000000000000e+00, 2.519523459775144e+04, 0.000000000000000e+00, 2.617310715041793e-01, 6.362398252386605e+02, 7.325789602223608e+00, 1.278988090330464e+01, 4.653912949049698e+05, 1.776954328328527e+04, 0.000000000000000e+00, 3.869205938878044e+01, 3.369943368658845e+02, 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