# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9415c06b-946e-4282-9c0a-90b00f1e9681/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 Lu2O3 / Ia-3 (206) / materials id 1427](https://mdr.nims.go.jp/datasets/23a08a23-abca-4b0b-9f85-9d50dedd6bc9) ## Fulltext elements: [O, Lu]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: [16.0, 175.0]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: [2.431949073444121e+00, 8.808563789534468e+00, 4.335861881819538e+02, -4.953207520962739e+03, 3.779904403956116e+03, -1.663474539415271e+02, -3.468572768727065e+03, 3.371606487138634e+06, 3.030373504405222e+04, -2.395760938759996e+04, 3.496046890786217e+03, -4.206365358655548e+05, 0.000000000000000e+00, 1.411772946540426e+05, 1.286937295043815e+04, -7.703977149589528e+01, -6.298667479986001e+05, 0.000000000000000e+00, 2.729723797325721e+05, 2.155038213062951e+04, 2.336342224797018e+01, -6.133594829489553e+05, 0.000000000000000e+00, 1.491678275160564e+04, 7.588998739643699e+02, -1.153763829583816e+02, 2.738053745757380e+05, 0.000000000000000e+00, 5.090865241822828e+03, 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