# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f88992da-0cc4-4d43-a47f-50f96e9c65a5/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 K2Zr2O5 / Pnna (52) / materials id 27522](https://mdr.nims.go.jp/datasets/a18a520a-9afe-4044-866c-aa26e38da50f) ## Fulltext elements: [O, K, Zr]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, 39.1, 91.22]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.575583103629277e+01, 1.572307452907683e+00, 4.508057096709197e-01, 4.292029074221628e+01, -8.087082036421662e+02, 2.216355516346301e+02, -7.875873850584514e+03, 1.550968413013751e+04, 8.709484104224550e+03, 7.823236498713773e+03, -2.694893792528235e+03, -1.064831902207871e+06, -8.353231918793690e+06, 6.450028176389870e+01, 3.656878887938533e+05, 1.852048857596398e+04, -1.501542040070060e+07, 0.000000000000000e+00, 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