# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/08333a0c-d586-4f45-813c-bc13e43569d0/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 LiHoO2 / P2_1/c (14) / materials id 12645](https://mdr.nims.go.jp/datasets/f4542d59-fa31-4a14-91de-e656e96e1973) ## Fulltext elements: [Li, O, Ho]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, 16.0, 164.9]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: [5.460133604987547e+01, 8.303892293865228e-02, 8.320267162036806e+00, -6.606395305693646e-01, 1.698502202763864e+00, 2.532896589262880e+02, 0.000000000000000e+00, -1.412005220601724e+04, 6.751707291278846e+05, 6.209860649223030e+00, -8.027314671872501e+02, 1.976044597692876e+03, 3.369406290356017e+01, 5.893109044887925e+03, 5.045616670066751e+03, -1.213144272398805e+06, -5.175944186176588e+04, 9.129377602544379e+03, 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