# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c1e4ee22-d6f4-42e0-8011-d52b3e63a9e4/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 Li3LaP2 / P-3m1 (164) / materials id 8407](https://mdr.nims.go.jp/datasets/b50d0f2d-c34f-48f4-b84e-51ca1e7b83a6) ## Fulltext elements: [Li, P, La]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: [6.941, 30.97, 138.9]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: [9.292052384666484e-01, 3.583444950367923e-01, 2.914828800000338e+01, 2.777006705320805e+03, 9.986854753360841e-01, 1.566000645832636e+04, 2.665930571387530e+02, -2.824696684444042e+01, 1.221969917282140e+05, 1.043394065645934e+02, 3.453498023332574e+04, 0.000000000000000e+00, 5.178398362801033e+03, 0.000000000000000e+00, 1.389505118594154e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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