# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6794f7cb-85e7-4f94-946c-71eea0552d12/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 / Pbcn (60) / materials id 571642](https://mdr.nims.go.jp/datasets/29c1df78-07d3-4111-9c7f-0f13c6f9989b) ## Fulltext elements: [Ca, Cl]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, 35.45]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: [-9.276023569746694e+03, 2.153427372075451e+00, -9.776420557767146e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.491653738687959e+03, 1.531768236897630e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.503522116386476e+04, -1.701145828033036e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.032234950646055e+04, -2.481133715706457e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.046702954939771e+03, -8.993591868309337e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.597672118816725e+03, -1.774702837341265e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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