# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8eb953cb-0737-445e-b1ad-a06dd4ed9ad4/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 Sm2O3 / P-3m1 (164) / materials id 10733](https://mdr.nims.go.jp/datasets/c0066b6b-cc1c-4d28-849e-ed2ea6a62c2e) ## Fulltext elements: [O, Sm]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, 150.4]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: [4.010044467339593e+00, 1.016321603370159e+00, 1.133279123164365e+03, -3.628517042533201e+03, 1.311491706761155e+03, 8.247899541637079e+01, 2.694474875430991e+06, 0.000000000000000e+00, 3.785420882583792e+02, -2.326941859899521e+04, 4.267454963563881e+02, -4.173583934796370e+04, 0.000000000000000e+00, 6.778130412685311e+03, -1.416158584457459e+04, 3.271720581505313e+02, 4.580685381159718e+05, 0.000000000000000e+00, -1.435361781375397e+03, 4.484178263995050e+04, 8.400456017808492e+01, 1.483506341303141e+06, 0.000000000000000e+00, 1.648048656529023e+03, 6.271309812628120e+02, -5.309530250963598e+01, 3.322346393997746e+04, 0.000000000000000e+00, -2.109803371264086e+03, 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