# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d6581e18-0155-4072-b49f-cf47ff3864d4/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 Zn2SnO4 / Imma (74) / materials id 35493](https://mdr.nims.go.jp/datasets/b73d2cf7-dace-427c-952b-053d29554787) ## Fulltext elements: [O, Sn, Zn]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, 118.7, 65.39]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: [6.225106574959089e+00, 1.316134764823061e-01, 9.802906278743394e-02, -5.804702127327585e+01, -7.566151859098943e+00, -4.044568013812501e+01, 1.516928151880080e+04, -1.091418087337386e+02, -9.398057188423772e+02, 1.064105948680521e+01, -3.280271975571806e+01, 1.035071720411136e+04, 5.010658944743749e+03, 2.014168189723204e+01, 2.237113300007407e+02, 1.229584256495395e+04, 0.000000000000000e+00, 3.074435528546069e+05, 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