# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0217e5ff-931d-4436-b4fb-bf128494ab50/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 SrBe3O4 / P-62c (190) / materials id 27791](https://mdr.nims.go.jp/datasets/32af909a-1ac9-4c8e-bd5e-ad07173b0ce6) ## Fulltext elements: [Be, O, Sr]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, 87.62]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: [1.794903912636321e+00, -6.707402645717714e-03, 2.907328185725250e+00, 6.175793268920475e+00, 1.975325612726132e-02, 0.000000000000000e+00, -4.020009525295297e+01, 2.682808823270182e+01, -5.519609587717480e+03, 1.744792305142322e+00, -3.940744911487650e+01, 3.602192202577397e+02, -1.140560007832526e+02, -1.548139076214039e+04, 9.067863737049320e+03, 0.000000000000000e+00, -7.456544368242842e+02, 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