# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bd279edb-a674-4b72-8dce-9d982525ebd5/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 WBr2 / Cmce (64) / materials id 29498](https://mdr.nims.go.jp/datasets/bf585a18-075e-4aa9-a707-db132e05ddd7) ## Fulltext elements: [Br, W]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: [79.9, 183.8]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: [-1.175052247449285e+01, -8.376095359327492e-01, 2.013401090455182e+00, 0.000000000000000e+00, -4.108290946343149e+06, -1.083813363993602e+04, -1.029758274633580e+04, 3.357125727376782e+03, 0.000000000000000e+00, 2.096553592643146e+05, 3.847567490541565e+04, 6.999140024093857e+04, 2.203641585823441e+03, 0.000000000000000e+00, 9.117802127678800e+06, 1.616807059914954e+04, 4.560745852393801e+03, -9.562657535239724e+04, 0.000000000000000e+00, 3.352318550354780e+07, -4.531848106614072e+03, 3.474207916685323e+04, -6.663592554241180e+04, 0.000000000000000e+00, -4.082743019058887e+06, -3.895515528992038e+03, -5.188207100368552e+03, -9.457513118960998e+03, 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