# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3832171d-abad-4e40-88fe-6e5ac9822bca/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 Yb(ZnP)2 / P-3m1 (164) / materials id 9582](https://mdr.nims.go.jp/datasets/bc5e974e-9216-437c-9bc8-452ef3fdd0b8) ## Fulltext elements: [P, Zn, Yb]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: [30.97, 65.39, 173.0]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: [2.499365058450389e+02, 3.674006150928300e-01, 3.767275163662808e-01, 1.204532101934922e+00, 3.810829099101009e+00, -1.593740413058835e+03, 0.000000000000000e+00, 8.324527349114273e+04, 0.000000000000000e+00, 6.767831175169438e+01, 2.838971354082610e+03, -2.841712334959117e+01, -9.293891887979631e+03, 6.907359671778477e+02, -2.002771280441504e+04, 0.000000000000000e+00, 2.957246356751808e+03, -7.385032353977840e+04, 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