# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/554132ce-c36c-4d0f-94fd-2e7ce6245cf2/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 Mg(SbO3)2 / P4_2/mnm (136) / materials id 3653](https://mdr.nims.go.jp/datasets/9e181be6-f8c0-4650-8780-094fbaffcb10) ## Fulltext elements: [O, Mg, Sb]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, 24.31, 121.8]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: [1.372765185768945e+00, 1.160979235832296e-01, 1.481087093997760e-01, 0.000000000000000e+00, 2.508897115814346e+00, -9.146208589308952e+00, 4.610932170953130e+03, -2.706455850135021e+02, 5.661558629131785e+02, 8.025810102277234e+00, 5.681079998859271e+01, 0.000000000000000e+00, 8.674082081978964e+02, 1.008133559448584e+01, 4.812232276042560e+03, 7.296806573437722e+02, 0.000000000000000e+00, 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