# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d32375f1-bd78-42da-a224-1795e762b764/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 Sr2Tl2O5 / P2_1/c (14) / materials id 757407](https://mdr.nims.go.jp/datasets/5ebe2f2f-f6d2-4ffe-8f69-2d2b85858303) ## Fulltext elements: [Sr, Tl, O]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: [87.62, 204.4, 16.0]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: [8.396863396829001e+02, 4.252810263931290e+02, 1.349372840973753e+00, 3.654006830242838e+02, -2.577133627103855e-01, 3.415659654867594e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.012334949693089e+06, 0.000000000000000e+00, 4.191194415710758e+05, 0.000000000000000e+00, 2.054533707653586e+04, 6.197033716368595e+02, -1.348877871604967e+03, 4.993094275468447e+04, 0.000000000000000e+00, 8.541419208786512e+05, 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