# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8bbdd567-dc5a-4131-8b58-f85afc0d287a/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 Sn3(HO2)2 / P-42_1c (114) / materials id 625541](https://mdr.nims.go.jp/datasets/e319aa3c-76e1-456b-b2ec-8a4198f3d14d) ## Fulltext elements: [Sn, H, O]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: [118.7, 1.008, 16.0]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: [2.643555933088863e+02, -1.503363016065876e+00, 2.499165130438663e-01, -9.249671472843797e+02, -4.105529281521076e+00, 1.601205135356428e+01, 0.000000000000000e+00, -2.646525545000232e+07, -1.023685418619268e+05, 1.394877370213928e+05, -1.038424791152175e+02, 0.000000000000000e+00, 1.314673590739420e+03, -4.071466653578660e+01, -1.413716235819401e+02, 4.943876631667908e+03, 0.000000000000000e+00, 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