# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fccfea96-7b13-4824-a4ed-ca1b16db2a5d/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 PrClO / P4/nmm (129) / materials id 27984](https://mdr.nims.go.jp/datasets/2b2d2cd8-8462-4d93-82d1-3c32e3520639) ## Fulltext elements: [Pr, O, Cl]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: [140.9, 16.0, 35.45]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: [6.880144009425118e+02, 4.755413295334232e-02, 5.625121293091346e+00, 9.246145577348834e+00, 5.117339758549989e+00, 3.111987904757088e+01, 0.000000000000000e+00, 8.618347874864565e+03, 0.000000000000000e+00, 3.233692102378785e+01, -1.030983448486473e+04, 9.984034924434507e+02, 8.314614009981905e+02, -3.580358835262994e+04, 8.008410902224267e+04, 1.491910354821745e+05, -1.365187847664970e+02, 1.659993245936096e+04, 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