# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4af8432d-41cc-4a29-9877-5fb2da5db8f3/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 Mg3P2 / Ia-3 (206) / materials id 2514](https://mdr.nims.go.jp/datasets/89ae3a18-0500-48cc-a7bd-852ff0eaaa44) ## Fulltext elements: [Mg, 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: [24.31, 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: [7.542375503954712e+01, 1.119391471289113e+01, -7.389936449568767e+03, -3.088540418363766e+06, 9.543656123002847e+04, 8.667875610682227e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.604430193993925e+07, 4.419245339202370e+04, -8.605655047255825e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.220067836266052e+06, -2.225039558105453e+05, 1.193149095270413e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.155948307485959e+07, 4.455017860169847e+05, -1.832305698975521e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.183140529919669e+05, 1.413020075364880e+05, -3.151798432874667e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.384872110415956e+06, 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