# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f35dd17b-f3ec-45eb-be99-1d1479d30d1d/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 Mg(B6C)2 / Imma (74) / materials id 568803](https://mdr.nims.go.jp/datasets/091d2433-7f5b-413b-80bf-bc22c9ab72f2) ## Fulltext elements: [Mg, B, C]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: [24.31, 10.81, 12.01]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: [6.257298419401115e+00, -4.454541398249292e-01, 1.339621384153379e-01, 7.826546479159668e-02, -2.842787009179498e-02, -3.325754750465732e-02, 0.000000000000000e+00, -8.069865253120182e+04, 1.617448466198058e+05, -5.845195766383594e+02, -1.529161628553638e+02, -2.738827362309930e+01, 1.109594605789695e+01, 5.302245278071221e+01, -4.437488208760303e+00, 3.873346402710361e-01, 1.157493286305132e+00, 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