# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d729c4b1-fbda-4d70-acf5-2fa6ebf68d25/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 YInO3 / P6_3cm (185) / materials id 504607](https://mdr.nims.go.jp/datasets/8edf3ffa-979f-4bb5-8f86-0c47353ba329) ## Fulltext elements: [Y, In, 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: [88.91, 114.8, 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: [4.408935994600969e+03, 1.563056008419915e+02, 5.646569030466211e-01, -1.806619893133036e+03, 2.508006950821953e-01, 5.902151385327415e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.177062983348374e+05, 0.000000000000000e+00, 2.184389507328457e+05, 0.000000000000000e+00, -3.502108629656437e+04, 7.868360135829346e+01, -9.704816969642231e+01, 6.666572283929668e+03, 0.000000000000000e+00, 1.662484055253242e+05, 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