# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/62da3d52-a4ff-4854-8448-1c28b4c7e9a1/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 InHO2 / Pmn2_1 (31) / materials id 504535](https://mdr.nims.go.jp/datasets/39b81635-decb-4157-af56-d963e3cd33ad) ## Fulltext elements: [In, O, H]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, 16.0, 1.008]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: [4.423797047922382e+02, 4.567040089114018e-01, 1.895459240467941e+00, 8.064572438890903e-01, -2.997311726711390e-01, -2.332509229544588e+02, 0.000000000000000e+00, 5.500984334797384e+04, 3.937961815848815e+04, 3.886925884945975e+01, 8.693146316642586e+02, 8.748302313697154e+01, -1.908251193916995e+01, 5.077423958592694e+02, -4.713029191242630e+00, 8.120111806594311e+04, 5.710301281338941e+02, -1.073320699822356e+02, 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