# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/27a33b72-6708-4908-9e7b-625e213f0492/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 Be3P2 / Ia-3 (206) / materials id 567841](https://mdr.nims.go.jp/datasets/827ff73a-e72b-4593-9fae-9f4f82e1cdd1) ## Fulltext elements: [Be, P]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, 30.97]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.569794721270599e-01, 2.591530716751089e+00, -8.686641057825418e+01, -1.014063717080894e+03, 2.482297149211673e+02, -9.766138669830204e+00, 7.371269477695765e+04, 0.000000000000000e+00, 9.968309019159716e+02, 1.291886048221840e+02, 4.535181189784680e+02, -9.386927422076066e+04, 0.000000000000000e+00, -5.115519508360626e+03, 1.579072027490307e+03, 2.562220580142504e+02, 4.706417850603708e+05, 0.000000000000000e+00, 6.946387921045674e+03, -2.004867662110942e+03, 1.670386351779706e+01, -1.764250488739897e+06, 0.000000000000000e+00, 9.130787338043336e+01, 1.913908034162814e+02, -1.504603443824847e+02, -1.739365483119209e+06, 0.000000000000000e+00, 8.943483877297498e+03, 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