# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd2edc33-8af2-4fc8-8474-68d6b2115b56/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 CaCl2 / Pnnm (58) / materials id 23214](https://mdr.nims.go.jp/datasets/b4e00c59-7cc3-497a-be5a-c267755af76d) ## Fulltext elements: [Cl, Ca]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: [35.45, 40.08]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: [1.034052144921538e+01, 2.283034963492264e+00, -4.189675731824266e+04, 0.000000000000000e+00, -5.899239916573564e+04, -9.230007953468756e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.747309993578971e+06, 6.971051157444900e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.245104506972869e+06, 1.395040628701338e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.977125165505088e+05, 2.716472004456654e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.021164425300969e+05, 5.005925487606606e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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