# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f88fbd49-71fb-4f3a-8295-ecbab72be6af/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 CdSnF6 / R-3 (148) / materials id 13907](https://mdr.nims.go.jp/datasets/9f3a069a-fa35-468e-a8b7-c0e40165c543) ## Fulltext elements: [F, Cd, 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: [19.0, 112.4, 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: [2.947213741794997e+00, 1.411619206303019e-01, 1.649825531807460e-01, 0.000000000000000e+00, -4.422552724914261e+03, 0.000000000000000e+00, 6.315496389976799e+03, 1.817679947331540e+03, 1.717639361162428e+02, 4.230355390700946e+01, 4.620492254382139e+01, 0.000000000000000e+00, 1.621284631914066e+06, 6.577002514944936e+00, -2.514832468667283e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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