# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/eed04ff9-1450-42d5-bb27-c52f0745f705/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 Ca2SnO4 / Pbam (55) / materials id 4747](https://mdr.nims.go.jp/datasets/4e132bdd-c2f7-4d84-9d23-74d4b098a67f) ## Fulltext elements: [O, Ca, Sn]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, 40.08, 118.7]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: [3.682354248623890e+00, 3.973544927396550e-01, 1.464034667815158e-01, 1.370067214817847e+01, 7.938760019898872e+01, -1.829363330368106e+00, -9.295968947862286e+03, 1.114996894251313e+04, 1.900468491303376e+02, 1.491103781451859e+02, -4.312252266993220e+00, -6.626634824707076e+03, 1.928117827586900e+04, 1.596233612520366e+01, 3.117745676375873e+02, 1.032700129476465e+04, -1.519880192700686e+05, 0.000000000000000e+00, 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