# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d97764ca-9beb-4b14-bb39-d7db588c05bb/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 In5S5Cl / P2_1/m (11) / materials id 31263](https://mdr.nims.go.jp/datasets/0099161b-02ff-484a-8057-f9b8ed31c1a5) ## Fulltext elements: [In, Cl, S]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: [114.8, 35.45, 32.07]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: [-3.384606870179271e-01, 1.983384473836584e+00, 2.886947411498587e-01, 1.467017835251309e+02, 8.447324802155690e+01, 1.810407187264994e+03, -2.194526192847225e+04, -6.882861915527679e+06, 7.478475775084936e+04, -4.037004798798406e+04, -1.027059387438291e+04, 0.000000000000000e+00, -2.367659521539494e+06, -1.089122760538275e+04, -1.856738473884350e+06, 2.894099476564932e+06, 0.000000000000000e+00, 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