# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c4459a0a-718c-4c45-9f89-834fed3fdd47/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 Nd2SeO2 / P-3m1 (164) / materials id 13971](https://mdr.nims.go.jp/datasets/4c7f9102-ce3a-45ef-9801-3219d16d6242) ## Fulltext elements: [O, Se, Nd]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, 144.2]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: [2.575051466140026e+00, 3.503657597279378e+01, 1.798282185870302e-01, 4.234880749858384e+03, 3.576843936546598e+00, 4.871881446697309e+02, -1.215552884065160e+03, 0.000000000000000e+00, 1.022652526906527e+03, 0.000000000000000e+00, 6.547344588619078e+04, 0.000000000000000e+00, 8.926215299919319e+05, 1.216952632739589e+02, 1.404834254781821e+04, 1.267953852355814e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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