# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0785da53-2829-4e36-b2c7-f20ea47ec824/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 Nd2SiO5 / P2_1/c (14) / materials id 560132](https://mdr.nims.go.jp/datasets/9c093921-3573-425d-9e94-dcd764f6e2e3) ## Fulltext elements: [Nd, Si, O]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: [144.2, 28.09, 16.0]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: [7.986895563026468e+02, 2.583210798763689e+01, 7.375588136787729e-01, -1.992526306672333e+04, -4.834565800092919e-01, 1.568060319681768e+01, 0.000000000000000e+00, 0.000000000000000e+00, -9.997226421566748e+05, 7.601323699364671e+06, -8.085022489099603e+04, 0.000000000000000e+00, -3.746743680547364e+03, 8.723211167974777e+02, -1.097968250928523e+03, 1.304948092242822e+04, 0.000000000000000e+00, 3.581098776352997e+06, 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