# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7ce1f6d9-7567-4f99-b8f9-ce9ac04a68dd/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 LiYF4 / I4_1/a (88) / materials id 3700](https://mdr.nims.go.jp/datasets/5b5bdb52-f7f2-4627-8611-4bce7f2df166) ## Fulltext elements: [Li, F, Y]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: [6.941, 19.0, 88.91]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: [3.194847192132576e+02, 1.107123917753900e-02, 1.589127011513731e+02, 1.215194835414620e+00, 1.924957616884137e-01, 1.095637286485821e+03, 0.000000000000000e+00, 9.067623736178339e+03, 0.000000000000000e+00, 1.022869864488201e+00, 3.137870194463328e+03, -4.510240955014869e+01, -1.268256481140107e+01, 0.000000000000000e+00, 1.203064575505029e+05, 0.000000000000000e+00, 3.882598160494702e+02, 1.305414998365869e+01, 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