# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bc84a6c9-e3bd-4bdb-845d-613a9c7cc2b1/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 Pr2O3 / P-3m1 (164) / materials id 2063](https://mdr.nims.go.jp/datasets/6d6286b0-a635-4c8c-ad0b-d4007bf81fd7) ## Fulltext elements: [O, Pr]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, 140.9]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: [8.836357774257296e+00, 2.797758206156762e+00, 6.746858659393168e+02, -1.939749722097895e+04, 4.349022240598978e+03, -4.630445317299922e+01, -1.869910571341432e+06, 0.000000000000000e+00, 6.460327984626374e+04, -1.128285098629539e+05, 5.730612151804233e+03, 9.951923779240419e+05, 0.000000000000000e+00, 3.495899003129861e+05, -1.673330439158450e+05, 1.348765864286547e+02, -7.209702631725658e+06, 0.000000000000000e+00, 1.550870967658083e+04, 4.034063412759583e+04, 1.757644629671137e+02, 4.340550328534153e+06, 0.000000000000000e+00, 1.243671656551332e+04, 5.432034956568339e+02, 5.730820385222714e-01, -1.230097276885065e+06, 0.000000000000000e+00, -4.617973396554068e+04, 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