# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f67c8024-e182-44e6-bb96-4c4df7d25c50/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 LaReN3 / P2_1/c (14) / materials id 989614](https://mdr.nims.go.jp/datasets/20ed0353-dd62-458b-8f52-23f6caad2804) ## Fulltext elements: [La, Re, N]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: [138.9, 186.2, 14.01]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: [-3.509683772073687e+03, 4.038931733167909e+01, 5.995586620029341e-01, 4.905385739380655e+01, 7.319361800850452e-01, 2.671560237634780e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.053571954754176e+07, 0.000000000000000e+00, 1.522072799165541e+06, -1.150157210054374e+07, 3.271283147610378e+05, -5.307468065840648e+03, -3.373437212767810e+03, 5.499651436316952e+03, 4.310016993497915e+04, 1.118585946925656e+03, 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