# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/359d791d-9b33-4e4f-9577-ac1cc31ff8ae/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 HfSnS3 / Pnma (62) / materials id 8725](https://mdr.nims.go.jp/datasets/d9cdcac1-da28-49e8-823d-7c60975c14cd) ## Fulltext elements: [S, Sn, Hf]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: [32.07, 118.7, 178.5]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: [-7.421042105319728e+01, 3.159563154220210e+00, -1.345376986764446e+00, -3.154188404627057e+03, 3.328823871065089e+02, 1.199622009562286e+03, 0.000000000000000e+00, 5.310163867302638e+06, 1.440808129470738e+06, 7.021100681068809e+03, -1.481696201605263e+04, 2.005802298826509e+07, -1.321963342939172e+07, 7.200987809823053e+01, 2.218838618561648e+06, 1.393394004170901e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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