# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2ad2b812-18df-4e72-aefd-0e0e8ac91806/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 SnB4O7 / Pmn2_1 (31) / materials id 13252](https://mdr.nims.go.jp/datasets/87f51920-a474-402b-a401-842cf2503dee) ## Fulltext elements: [B, O, Sn]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, 16.0, 118.7]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: [2.974155339293765e+00, -5.447714578809725e-01, 2.913824760315065e+01, 4.287309323541114e+00, -2.269117669151790e+00, 2.631093983355163e+05, -5.872396897293180e+03, 2.586349354446461e+02, 2.869866889708400e+05, -9.473964777467742e-01, 3.537856224658669e+03, 1.213066176845463e+02, 3.489539178692029e+01, 3.390613273062974e+06, 4.998511404734257e+04, 0.000000000000000e+00, 6.510982945496471e+00, -8.551888669759753e+02, 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