# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f3c3b1a9-2c59-4b98-9dcd-ed6a40108da0/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 Tb2S3 / Pnma (62) / materials id 9323](https://mdr.nims.go.jp/datasets/ab6c746d-2af7-4e1f-9923-24b01526b38c) ## Fulltext elements: [S, Tb]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, 158.9]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: [-7.507375683417663e+01, 1.838871389632457e+01, -1.568056445260483e+04, -7.524295725692736e+06, 6.520526343788205e+05, 1.869502475864832e+04, -7.047296336649717e+07, 0.000000000000000e+00, 1.646445833224742e+06, -1.998151352894208e+05, -1.002130143205640e+05, 0.000000000000000e+00, 0.000000000000000e+00, 6.496639228130853e+06, -2.935252460918418e+06, 1.526302424117007e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.448492745399586e+06, -3.006364692823531e+05, -1.497983875289073e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.474658023712530e+06, -7.194294024504088e+05, -2.916289089466120e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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