# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/007c9509-01e7-4e50-baea-56971ad9c239/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 Ca3AlN3 / P2_1/c (14) / materials id 29596](https://mdr.nims.go.jp/datasets/d20131d3-7fe6-4d38-beff-96da7a9625f1) ## Fulltext elements: [N, Al, Ca]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: [14.01, 26.98, 40.08]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: [-1.187598788870226e+01, 3.031526482900195e-02, 1.951496666906412e+00, 6.615195338918678e-01, 3.394091778645567e+01, 3.498565403491274e+01, -4.725351349638192e+04, -8.036192121380736e+02, 3.649557307200888e+03, 1.188622626242703e+01, -7.673423582744634e+02, 3.833714774110166e+02, 2.251637409148692e+03, -8.516849655722415e+02, 3.637538310082094e+03, 4.756189393845577e+03, 8.361015865863877e+03, -3.062211611570607e+04, 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