# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cbea4f7a-7159-4ee9-b3ad-a1006e53de9c/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 Ca2VN3 / C2/c (15) / materials id 17892](https://mdr.nims.go.jp/datasets/cb0569ce-3497-4b95-af27-3368d0d88fc3) ## Fulltext elements: [N, Ca, V]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, 40.08, 50.94]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: [1.087965329817239e+01, 4.992088099007080e-01, -1.445127491324558e-03, 1.652885869330863e+02, 1.479282508807864e+01, -8.207471836590095e+00, 4.227765116280236e+04, 8.804868132681708e+03, -6.657606742127265e+02, 1.456740805635278e+02, -2.174626181135780e+02, -2.700939425431265e+04, 6.801825413057893e+03, 7.414737076849272e+00, 2.855614650644221e+02, 1.233145950832504e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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