# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f61b3c39-95b9-4328-8324-bf6902f2a13b/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 YScO3 / P6_3cm (185) / materials id 769007](https://mdr.nims.go.jp/datasets/a43e0cc1-39b2-4787-9339-516f8e75b13f) ## Fulltext elements: [Y, Sc, 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, 44.96, 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: [3.105120841674622e+03, 2.136585826931117e+02, 4.025871867999996e-01, 1.079049698128339e+03, 3.696579290223559e-02, 1.404063257574659e+01, 0.000000000000000e+00, 0.000000000000000e+00, 7.236439121196129e+04, 0.000000000000000e+00, 4.022513316274770e+03, 0.000000000000000e+00, 3.964413883672241e+04, 1.073851317064216e+02, 3.138644923093554e+01, 5.338473213529385e+03, 0.000000000000000e+00, 1.129796943196669e+05, 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