# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2aca4d8-afef-4a4f-b44c-7190a159304b/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 KSn2Cl5 / I4/mcm (140) / materials id 23539](https://mdr.nims.go.jp/datasets/dab851c6-f456-49ab-a239-6a136d2d982b) ## Fulltext elements: [Cl, K, Sn]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: [35.45, 39.1, 118.7]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: [2.332702731925733e+02, 8.412309199493535e+01, 3.941351338510440e+00, 0.000000000000000e+00, 1.234920384118051e+06, 2.101620017203716e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.302415892061544e+05, 5.408312637315417e+06, 3.830759695335575e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.057366191155949e+04, 0.000000000000000e+00, -2.872647557152065e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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