# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/37d72a32-fb24-4442-afa3-e5c45c0721c2/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 ScCuSe2 / P2_1/c (14) / materials id 677055](https://mdr.nims.go.jp/datasets/e144201e-b3b8-4ee8-83fe-4b0e0e806161) ## Fulltext elements: [Sc, Cu, Se]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: [44.96, 63.55, 78.96]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: [-3.346791039240574e+02, 2.936698455386178e+00, -7.691172882871529e-01, 1.301001854574966e+00, 1.183671330238581e-01, -1.947125415280678e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.886298579861782e+05, -3.135902499680599e+05, 6.434417327072053e+03, 1.412643168772450e+05, 2.216617656835001e+04, -2.313552269748483e+03, -2.759188978452160e+03, 4.813606866039789e+06, -4.434621413607808e+02, 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