# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9f60fa25-3e52-450d-8967-f4b85a9d853e/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 Dy2SO2 / P-3m1 (164) / materials id 12669](https://mdr.nims.go.jp/datasets/f7558350-1ceb-42a0-8ee7-7270ce5dbbc5) ## Fulltext elements: [O, S, Dy]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: [16.0, 32.07, 162.5]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: [1.209524127776954e+00, 8.108368693720887e+00, 1.467709250186024e-01, -9.027594402412502e+02, 9.728952581968088e-01, 2.059351174471371e+02, 3.991461944225778e+02, 1.929198385676553e+04, 2.354458508726885e+02, 2.091947388347088e+05, 8.452118840919065e+03, 0.000000000000000e+00, 1.146900322606656e+03, 6.704610065377273e+01, 1.305168760764337e+03, 2.406998865007019e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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