# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5ab2bd85-5195-45ea-9836-b5bcc08d2e62/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 Tl2Sn2S5 / C2/c (15) / materials id 7499](https://mdr.nims.go.jp/datasets/ae4847b7-4202-4998-8229-491c8bc0716d) ## Fulltext elements: [S, Sn, Tl]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: [32.07, 118.7, 204.4]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: [-3.595961692100481e+01, -1.576688854558667e-01, 2.361065836109065e+01, -7.527001439649995e+02, 1.145529473787477e+02, -8.998938057441660e+04, 3.840874954144802e+06, 7.908174380991294e+04, 2.362482894359352e+06, 4.480460789811555e+02, -7.482978135815157e+04, 9.080892820780865e+05, -2.387027552005779e+07, -7.001922700018403e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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