# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5d6ba33d-45ec-49fb-9d67-0c2f60f9aa67/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 SrTm2O4 / Pnma (62) / materials id 3446](https://mdr.nims.go.jp/datasets/a606552b-e62f-4524-a1ff-992a9dc1e9fb) ## Fulltext elements: [O, Sr, Tm]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, 87.62, 168.9]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: [1.913090243647747e+01, 8.117036629543857e-02, 5.848560175964657e-01, 2.014981631714288e+02, 8.314858367476542e+01, 2.700415876017034e+02, -3.429102832836449e+03, 4.647389293794025e+03, 9.349773140077970e+03, -9.941362959943585e+02, -1.566965620282273e+03, 6.733279652827673e+04, -2.658371485897144e+04, 6.522634075129585e+01, 7.986891663595867e+03, -7.655313149321154e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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