# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2749e9aa-7f65-471f-a7a1-f5b53a399e1e/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 TmCl3 / R-3c (167) / materials id 28044](https://mdr.nims.go.jp/datasets/e807f244-8e4c-453d-a6a6-82ed698262bc) ## Fulltext elements: [Cl, Tm]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, 168.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.520030263753387e+02, 1.645036402004682e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.931888039696145e+05, -5.295142544439084e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.113446975718217e+06, 4.339611490648159e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.076065582758617e+06, -4.860464027234740e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.742390662351266e+06, 6.242922589440200e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.544404985111196e+06, 5.217450170504554e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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