# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6778d711-c786-47fe-a6b3-0309c29afa22/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 / P2/c (13) / materials id 3941](https://mdr.nims.go.jp/datasets/901eb7da-9fd3-4391-9032-89bd93c4cf64) ## 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: [-7.541523583082372e+01, 7.126324326729134e-03, 3.658825594985823e+02, 1.671375863129061e+00, 1.440422563628514e-01, 8.851130002132960e+01, 0.000000000000000e+00, 6.071299803181865e+03, 0.000000000000000e+00, 1.120036589644859e+00, 6.520955414259610e+03, -8.360172850672622e+01, -2.671233031558315e+01, 0.000000000000000e+00, 6.755970948346452e+04, 0.000000000000000e+00, 3.104149347350699e+02, 7.505904961920898e+01, 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