# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2ab5f28a-2fed-410e-b9d4-ad56a15db3f2/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 DyCl3 / Cmcm (63) / materials id 28448](https://mdr.nims.go.jp/datasets/83f435e2-90f3-4f98-baff-892c3da765c9) ## Fulltext elements: [Dy, 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: [162.5, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [9.440673557475024e+03, -2.246406895274259e+00, 4.982440274591961e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.040272376477045e+04, 3.417897049511315e+05, 1.755942995788433e+06, 0.000000000000000e+00, 0.000000000000000e+00, 6.043294905875648e+04, -5.769824403307758e+05, -1.502805416479204e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.205377824365459e+04, -4.030992855656894e+05, -4.776064853484590e+05, 0.000000000000000e+00, 0.000000000000000e+00, -6.848559507034635e+01, -4.378289245847148e+04, -6.864047733102853e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.284033519436047e+03, -2.993798338066771e+05, -3.472496476894346e+05, 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