# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1bfe03ec-3ea1-4abf-b74c-885fa70c2b14/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 Dy2TiO5 / Pnma (62) / materials id 770816](https://mdr.nims.go.jp/datasets/97991a5c-b756-4307-a19f-3854f12cf081) ## Fulltext elements: [Dy, Ti, 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: [162.5, 47.88, 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: [7.454078891921045e+03, 4.452151372593706e+01, 2.067275219429672e+00, 3.027567495717612e+03, -2.585609720845109e-01, 1.365226009627638e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.771706911829535e+05, 8.388936667380290e+06, -2.953428551163611e+04, 0.000000000000000e+00, 8.510222905042676e+03, -1.237132983326096e+02, -5.180743155875346e+02, 6.481409402847466e+03, 0.000000000000000e+00, -1.993907063861061e+05, 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