# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c033b48e-0f0a-4846-8c5b-df02ce18d84b/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 Y2BeO4 / Pnma (62) / materials id 5905](https://mdr.nims.go.jp/datasets/4a64e1b2-34d7-41c7-bb1d-43ae86f0aedc) ## Fulltext elements: [Be, O, Y]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: [9.012, 16.0, 88.91]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: [5.655192142141674e+02, -5.129031351297930e-02, 1.213474808087116e+01, 7.374637413920902e+00, 1.062939595111206e+00, 6.933079334847038e+02, 0.000000000000000e+00, -1.366383797008974e+04, 0.000000000000000e+00, 1.085221180949909e+00, 1.920604038467368e+02, 5.881618985380918e+01, -3.869949854589269e+01, 5.568693880355234e+04, 7.725938264031179e+03, 0.000000000000000e+00, -5.805526184989006e+03, 1.008149961931304e+04, 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