# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f292eecc-55e3-469a-b711-ce7a4ccc66be/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 Dy2SiO5 / P2_1/c (14) / materials id 752405](https://mdr.nims.go.jp/datasets/5b3ed41e-13a4-41a3-8990-0319ed812c40) ## Fulltext elements: [Dy, Si, O]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, 28.09, 16.0]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: [6.332316859319957e+02, 8.533000447774855e+01, 1.833481600536696e+00, -1.709423539196652e+04, -3.849846791687818e-01, 2.420331801568666e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.567475045058030e+05, 9.035187120672045e+06, -5.029098488669123e+04, 0.000000000000000e+00, 6.332372308376965e+03, 3.449666210330294e+02, -7.764790191984487e+02, 9.247253141948819e+03, 0.000000000000000e+00, -8.319946455925239e+05, 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