# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1db94933-f67c-4dc7-81d9-18c43226eb82/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 Ca3(BN2)2 / Pnnm (58) / materials id 531265](https://mdr.nims.go.jp/datasets/f6581447-1eb5-411c-bab6-ba665997a6f5) ## Fulltext elements: [B, Ca, N]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, 40.08, 14.01]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: [1.613409837457529e+02, 4.936681523274445e+00, -2.202467772404389e-01, 8.382901425694114e+01, 5.404984114398703e-01, 8.940067306246495e-01, 0.000000000000000e+00, -8.717543783165017e+06, -1.084723262880316e+03, 9.097697200344389e+05, -1.464763736918796e+03, -1.090033434382608e+06, 1.138131531968331e+05, -1.667981482598149e-01, 2.189216684178596e+02, -3.722069314221440e+01, -5.471097150593880e+06, 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