# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7044c2f2-bb76-4a65-a7e4-fa3fe19d98df/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 Ca5(SiN3)2 / C2/c (15) / materials id 571333](https://mdr.nims.go.jp/datasets/c0afc55f-7055-48d3-9d97-0d91ce6d19fa) ## Fulltext elements: [Ca, Si, N]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: [40.08, 28.09, 14.01]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: [5.215450102762433e+01, 1.588433366165645e+01, 1.351465233684477e+00, 9.998240027478718e-01, -4.009982837360326e-02, 2.596864579549816e+00, -2.549804211846001e+06, -2.288019968857876e+06, -1.580947548817816e+04, -2.053219782666159e+04, -5.008367532435134e+03, -2.224593924177781e+03, 3.379912660017083e+02, -1.220452337947932e+02, -7.584085213413489e+01, 1.720235865318491e+04, 1.916920222732342e+02, 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