# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/093fcebc-5fc3-4df7-bf8e-d32d9bb88dae/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 Ca3N2 / C2/m (12) / materials id 568172](https://mdr.nims.go.jp/datasets/5473ffaf-694d-44b4-9832-9f3d14cd9282) ## Fulltext elements: [Ca, N]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: [40.08, 14.01]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: [2.026896933568986e+01, -4.771443336651053e-01, 1.140028847891421e+03, -3.129556377391574e+05, 5.622623821709070e+04, -4.250979794834819e+02, -2.612263925513086e+05, 0.000000000000000e+00, 1.705540847889725e+05, -1.071762513621131e+05, 6.559676423680473e+03, 3.278210016009991e+06, 0.000000000000000e+00, 9.869501043148267e+05, 1.542021778392414e+05, -1.289102626156123e+03, -5.215783275283489e+06, 0.000000000000000e+00, -4.519082812896708e+05, -7.880934331852902e+03, 6.633421554287321e+02, -4.546990407121301e+06, 0.000000000000000e+00, 4.238219105961887e+05, -9.401828896292262e+03, -4.583102531435800e+02, 5.752770784321521e+06, 0.000000000000000e+00, 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