# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ddd8897d-674f-468a-a69d-f5266424c3ad/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 Dy2CO5 / Ama2 (40) / materials id 753153](https://mdr.nims.go.jp/datasets/7bb70acc-f545-4886-8065-b3557d84af49) ## Fulltext elements: [Dy, C, 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, 12.01, 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: [5.060063447501229e+02, 8.464671460376385e+00, 2.727248911496270e+00, 1.783728760974434e+03, -1.963502305717856e-01, 1.208055797542757e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.923983753984901e+05, -1.581888715529871e+05, 1.614157550988187e+03, 0.000000000000000e+00, -1.842745714017292e+01, 2.096732325839067e+02, 5.959347291887644e+00, 1.828350253390676e+03, 0.000000000000000e+00, -1.233896960332297e+05, 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