# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/082d956f-05de-452b-9c28-a980593f475e/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 TiBeIr2 / Fm-3m (225) / materials id 866154](https://mdr.nims.go.jp/datasets/ec367855-1232-400f-a3cb-5b2ac4e1546c) ## Fulltext elements: [Ti, Be, Ir]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: [47.88, 9.012, 192.2]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: [-4.578666777394583e+03, 1.017602999946315e+00, 8.258938208000050e-01, -2.664104963449083e+03, 2.425573871933584e-01, 3.995694667881092e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.705720792197989e+02, -3.227482960878633e+02, 0.000000000000000e+00, -2.726072923096113e+01, 2.322995059339406e+02, 2.610935229007463e+02, 2.072890049878004e+02, 0.000000000000000e+00, 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