# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/52676a29-65a2-4df5-ba51-ef502c569945/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 AgP2 / P2_1/c (14) / materials id 8200](https://mdr.nims.go.jp/datasets/2ec1b3d1-1e6b-4bac-b715-d6eec9fcddd6) ## Fulltext elements: [P, Ag]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, 107.9]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: 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: [1.162195637672295e+00, -3.696486977753179e+00, 1.087678383478428e+01, -1.809260121625633e+03, -9.883623283502238e+03, 7.054271944500862e+03, -9.128337210307515e+04, 1.346492325780499e+05, 5.532034140530860e+03, -2.674813299469044e+04, -3.335840339358894e+04, -7.504680063537782e+05, 5.264298143292576e+04, 7.635023443209010e+03, 2.770017916225109e+04, -5.078656705573056e+03, -1.075019213797016e+05, -9.146461538541735e+04, -3.258089038038702e+02, -1.342449887623517e+04, 5.033890847488523e+03, -1.594424737252560e+05, -1.023741523001978e+05, 4.236408169072873e+02, -1.711326116440490e+04, -2.182374579820163e+03, -2.809578211148121e+05, -3.841649476775936e+04, 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