# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/05af0256-4a92-4876-9de0-61bddd78333b/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 Ba4P3 / Pbam (55) / materials id 28823](https://mdr.nims.go.jp/datasets/e465d578-1522-4916-9826-a7c651f68153) ## Fulltext elements: [P, Ba]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: [30.97, 137.3]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: [7.558938889032603e-02, 3.140257430479816e+02, -1.040079674008329e+03, 1.504713185685983e+02, 2.821875466446740e+05, -3.131121730610793e+05, 0.000000000000000e+00, 0.000000000000000e+00, 8.977924979785894e+01, -1.583801160534658e+06, -1.752227406446670e+07, 0.000000000000000e+00, 0.000000000000000e+00, 6.692449809983941e+01, -8.664499176093684e+04, 7.250674333941395e+06, 0.000000000000000e+00, 0.000000000000000e+00, 5.794986662959467e+01, 1.740064198383321e+05, 3.652880892198265e+06, 0.000000000000000e+00, 0.000000000000000e+00, -5.053835436291454e+01, -3.550198974035357e+06, -2.276710843063298e+06, 0.000000000000000e+00, 0.000000000000000e+00, -4.633509570272101e+01, 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