# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8ebebee8-e300-4337-98e2-7322c04119b5/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 P2Ir / P2_1/c (14) / materials id 10155](https://mdr.nims.go.jp/datasets/041511e5-0129-4a51-a60f-a072c55d1c9d) ## Fulltext elements: [P, Ir]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, 192.2]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [4.212868281552756e-01, 2.783875792741462e+00, 1.390047659367164e+02, 5.518880132946842e+02, -3.091240448109547e+03, 1.118333238647501e+02, 3.480816738878490e+04, -6.353261374840674e+05, -2.062492650065826e+02, 9.754328590541043e+03, 1.172971687957033e+04, -1.054309999373453e+05, -5.499108411726541e+05, 1.916883481124986e+02, -4.911981046562334e+02, -2.493166351516128e+02, -2.209825454785613e+05, -2.729402655380572e+05, -1.557476540649521e+02, -1.555245555229353e+03, 2.113308969256397e+03, -1.424661363690975e+05, -3.335524684209075e+05, -1.273417738834691e+02, 5.988472988779604e+03, 5.378861429961122e+01, 4.755654081518134e+04, 2.179369530223168e+05, 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