# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/73dd6808-dd8d-4e0d-84d9-151dabea78a6/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 SmTaO4 / C2/c (15) / materials id 3756](https://mdr.nims.go.jp/datasets/c14c0d2b-ebee-4601-a52f-8441221dc78d) ## Fulltext elements: [O, Sm, Ta]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, 180.9]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: 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: [8.933498962798174e+00, 8.780670264285486e-01, 1.269879973981712e-01, 6.620179379705298e+03, 2.565985733116670e+03, 3.588706983158172e+02, -5.342174378020681e+03, 6.747943829172203e+01, 2.137103955370129e+03, 5.019872308180659e+02, 3.723418388108997e+02, -1.997509225883871e+06, 5.136669407593915e+06, 4.078038193089977e+01, 6.525532377117269e+05, -1.621769674312871e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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