# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7d155e4d-0322-4507-9895-9785bf04eafb/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 Er2SeO2 / P-3m1 (164) / materials id 13975](https://mdr.nims.go.jp/datasets/8c0f8df1-6081-417c-b8ec-32d57363b600) ## Fulltext elements: [O, Se, Er]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, 78.96, 167.3]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: [1.315871442266075e+00, 1.116808018480502e+01, 1.084028525241078e-01, -9.778291466447422e+02, 1.959662476091197e+00, 1.999535387360500e+02, 2.107654973038312e+02, -1.182634900532918e+05, 1.889581661041924e+02, -9.175387530116641e+04, 1.445164089517646e+04, 0.000000000000000e+00, -6.076996289758160e+03, 5.027890771459585e+01, 1.398945695590912e+03, 1.878034090244247e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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