# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c78a5ba5-82cd-4a40-adc9-04a0834359ad/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 In4SnSe4 / Pa-3 (205) / materials id 628768](https://mdr.nims.go.jp/datasets/36c4b5f2-3134-467c-ba62-f7481cf9b22f) ## Fulltext elements: [In, Sn, Se]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: [114.8, 118.7, 78.96]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: [-1.374492388803426e+02, 5.060938452852821e+00, 2.280312676897350e+00, -2.234122190371192e+04, -3.531301762954100e+02, 9.901285432118524e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.374692462451987e+04, 3.346233050679494e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.984775509633175e+02, 0.000000000000000e+00, 3.166790672830118e+04, 0.000000000000000e+00, 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