# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/41fce7cd-ac35-4ab6-a229-b2c05ab0ac7a/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 AlF3 / P4/nmm (129) / materials id 1323](https://mdr.nims.go.jp/datasets/4b203b06-ff74-4473-9389-76767b534b15) ## Fulltext elements: [F, Al]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: [19.0, 26.98]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: [1.140225480562089e+01, -2.056616483967034e+00, 6.778472777590057e+02, 4.210547118705734e+02, 1.167727568178944e+02, -1.013946747757280e+01, -1.319452722010438e+04, 0.000000000000000e+00, -2.847433034517051e+03, -1.320197996063655e+03, 3.036145022138264e+02, 4.487697046526640e+04, 0.000000000000000e+00, -4.852439298267142e+03, 4.128860009991907e+01, 2.974692583529509e+01, -2.124106517095112e+05, 0.000000000000000e+00, -5.097797686684687e+03, 4.928605380427597e+02, -3.965045167511991e+00, -8.142709452223011e+04, 0.000000000000000e+00, 1.171422655452752e+03, 7.884831169474128e+02, -1.372333968296933e+01, -5.032487866461008e+04, 0.000000000000000e+00, 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