# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/293f9d1e-57e6-4a65-999b-6a92aa2ada90/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 ScHO2 / Pnma (62) / materials id 625663](https://mdr.nims.go.jp/datasets/4da45e4e-9c37-4771-b886-0578e434f931) ## Fulltext elements: [Sc, H, 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: [44.96, 1.008, 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: [3.953273089411233e+02, 3.606951142815225e+00, 9.899964644037329e-01, 6.745273699644214e+00, -1.234128630545088e+00, 2.143984027513765e+00, 8.784898422699738e+06, 1.058848622385355e+06, 7.747579355444583e+04, 2.344902364139440e+03, 1.863810918745857e+03, -5.288461621162722e+04, 2.139050264407343e+01, 7.084212043184847e+01, -5.866621724928196e+01, 9.169555411894788e+03, 1.252310524270207e+04, 7.085274501092545e+01, 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