# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6042fc7-f5bb-4a1f-8cc9-d55355e14133/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 Mg3As2 / Ia-3 (206) / materials id 1990](https://mdr.nims.go.jp/datasets/9943c614-de7e-4125-84cc-c01cd048719a) ## Fulltext elements: [Mg, As]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: [24.31, 74.92]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: [1.669164911487188e+02, -5.385105846574275e+00, -6.133143682253190e+03, -4.959785969127194e+06, 1.510862393497858e+05, 4.553126440053497e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.522947426151811e+05, -1.250550101327020e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.783468023798547e+05, 8.875107596275029e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.967323735254063e+06, -6.101053319408696e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.527282624209297e+06, 2.824143962546777e+05, -1.067879839422381e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.430029217343988e+07, 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