# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d47170bc-dd87-481b-9588-aaae50395340/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 MgCO3 / R-3c (167) / materials id 5348](https://mdr.nims.go.jp/datasets/217b8b93-9ac8-4450-b632-1682916daa0e) ## Fulltext elements: [C, O, Mg]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: [12.01, 16.0, 24.31]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: [8.329189789210825e+03, -2.344605547617675e-02, 1.310384554823993e+02, 3.689071412749872e-01, 1.447762678253648e-01, 6.986402690109544e+03, 0.000000000000000e+00, -4.497715228483246e+03, 0.000000000000000e+00, 1.073347393294356e-01, 1.162682404745520e+02, 4.710713035002891e+00, 5.217140560804133e+01, -8.735844911757488e+04, 3.745340484600048e+03, 0.000000000000000e+00, 2.198539076589336e+01, 1.912676063231767e+00, 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