# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/537ade7c-a6ed-4c7c-9452-71a61a22f54e/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 LiP / P2_1/c (14) / materials id 9588](https://mdr.nims.go.jp/datasets/eb592ce2-9443-44bc-bf11-89d674378a40) ## Fulltext elements: [Li, P]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]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: [-4.971566500700181e+01, 1.154889618446203e+01, -3.097059850673989e-01, -2.424293228221664e+04, 2.210185594264418e+04, 4.757905000304181e+03, 4.253431827965203e+02, -2.906917002851251e+03, -3.137646104080463e+05, 8.846281068049390e+04, 9.699120623006025e+03, -8.882996472017066e+03, 5.948683040352347e+03, 1.725074417435555e+04, -6.533539947401974e+04, 1.696680995544585e+04, -1.333611552116574e+04, 2.117162568067794e+03, 4.478291156776311e+04, -3.686107431986801e+04, 7.324305378356092e+03, 4.169323488435971e+03, -5.831728156170489e+02, 1.269712234767442e+05, -1.524671834860388e+04, -7.825070604621613e+03, -3.085631676319043e+03, -3.010284997314363e+02, 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