# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ab26b45c-406a-434f-a343-b2ec75b9df93/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 YOF / P4/nmm (129) / materials id 10219](https://mdr.nims.go.jp/datasets/b9effa9f-0a72-41d9-8a46-92cf102c6009) ## Fulltext elements: [O, 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: [16.0, 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: [3.929598214487558e+00, 3.527083814400914e+00, 1.823461830047424e-02, 1.992409723892308e+00, 3.965038057964881e-02, 1.202292145499307e+02, -1.562921865411991e+03, -4.250770512636668e+03, -2.355522245489982e+01, 5.933959467200417e+03, -3.170405278241824e+02, -3.813954975459631e+03, -3.260299345907549e+02, 7.069886662019357e+00, 3.645457098666197e+02, 4.873484573173910e+03, 1.647416483637700e+02, -1.478156360245789e+02, 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