# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fa3b65c5-e242-4aca-b0d0-77b74d668de4/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 Ag2PS3 / P2_1/c (14) / materials id 558469](https://mdr.nims.go.jp/datasets/7d1c91fe-4889-474b-acbe-2c72bcb395a6) ## Fulltext elements: [Ag, P, S]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: [107.9, 30.97, 32.07]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: [3.251763238827606e+01, -6.673126719660492e+01, -2.158339801014482e+00, -1.972778187104729e-01, 1.502225557258778e-01, -3.388547216615179e+02, -1.960341153162123e+06, 5.659098596622445e+06, 1.002384653551525e+05, 1.981697874850872e+07, 6.319402745730252e+05, 1.212686377557989e+03, -1.017370488328469e+05, -6.254315580812978e+03, 1.623898681780788e+03, -7.836262200267187e+05, 2.695951471147720e+02, 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