# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4348f984-1f68-4a20-8d8e-99b3a5464473/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 HgAsO3 / P-31m (162) / materials id 30284](https://mdr.nims.go.jp/datasets/7870769d-6c26-4a71-87d1-81efda04f111) ## Fulltext elements: [O, As, Hg]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, 74.92, 200.6]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: [7.272424117954092e-01, -2.067355789183283e-02, -2.375232834256911e-01, -6.382068197673754e+00, 7.089727753836851e+01, 1.296580386965696e+00, 4.722033231842594e+02, 4.435169546334522e+01, 7.861107167226018e+02, 1.287243595429533e+00, 2.799312488708696e+00, 2.144684469263752e+02, 5.294537711217280e+04, 1.922553834459624e+02, 1.755884927822642e+05, -7.755252875585928e+02, -2.115643209529400e+05, 0.000000000000000e+00, 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