# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0021d759-e301-405f-bf93-65e0883d05dc/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 CdP4 / P2_1/c (14) / materials id 7904](https://mdr.nims.go.jp/datasets/bc0bdfdf-029c-4350-b0c4-fa617f73ef90) ## Fulltext elements: [P, Cd]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, 112.4]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: [1.451331682161892e+00, 1.364136233977811e+01, 0.000000000000000e+00, -1.297815657330506e+03, -2.046955002402585e+04, 1.605919911260901e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.171594220155308e+03, 3.074625932481500e+04, -1.585408556025347e+05, 0.000000000000000e+00, 0.000000000000000e+00, 4.781677733439372e+03, 2.793890225963300e+04, -9.216727262154260e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.573004767337887e+02, -2.837388212057024e+04, 6.365739835026308e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.011087289346995e+02, -4.093364726142206e+03, 4.306562454363140e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.259323105401865e+03, 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