# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/554561cb-07a1-45b6-a27e-7d9db63c7228/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 HfB2O5 / P2_1/c (14) / materials id 559617](https://mdr.nims.go.jp/datasets/4599fdb6-8b3e-40a6-80e9-62aa299c580f) ## Fulltext elements: [Hf, B, 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: [178.5, 10.81, 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: [1.475795888201135e+01, 2.815242256272933e+01, 3.341664845221333e-01, -4.584369438983126e+00, -3.283929502639234e-01, 3.431069184465794e+00, 0.000000000000000e+00, 2.345185504043305e+07, 1.679114995778277e+05, -1.631515696677320e+05, 1.082383736508918e+04, 8.105237800458240e+04, 2.821928150457511e+02, 1.380102777527609e+02, -7.512542429797836e+01, 4.452771257650196e+03, 3.829956860811386e+03, 3.286275849437737e+02, 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