# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b1710686-0ae7-444f-b3ce-6e10f50d009c/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 Ca3VN3 / Cmcm (63) / materials id 9029](https://mdr.nims.go.jp/datasets/377993f5-eea0-4708-8959-5c212c849dcb) ## 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: [1.953754618953153e+01, -1.214367640090983e-01, -1.513152365463933e-02, 3.641190132239302e+02, 2.454917137868610e+01, 0.000000000000000e+00, -3.613571510473518e+05, 5.630426156433618e+03, 1.371254829998918e+03, 3.283787904536534e+01, -1.787475514454530e+02, -1.877843558354875e+03, -8.295612461233248e+04, 7.243189784563702e+00, 1.405642066629335e+03, 0.000000000000000e+00, -6.331277052508472e+06, 4.253128294363701e+06, 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