# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/83ebb745-a15e-4161-8a2a-82184e5df72c/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 AcCl3 / P6_3/m (176) / materials id 27971](https://mdr.nims.go.jp/datasets/96792214-5e0d-485b-b15e-197e0ae29eec) ## Fulltext elements: [Cl, Ac]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, 227]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: [3.853493930143249e+02, -2.741673200914415e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.034021296312083e+06, -3.682336311489849e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.296299904503285e+07, 1.129435850372630e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.874106607447249e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.907915399812439e+06, 5.221089891087230e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.777072952674604e+06, -2.818450710362314e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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