# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d1b88e89-e2df-4f09-bcb9-06613635a2bb/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 Ho2SiO5 / P2_1/c (14) / materials id 17065](https://mdr.nims.go.jp/datasets/49fc884b-40e3-4805-afcd-4c2d99f75f9f) ## Fulltext elements: [O, Si, 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: [16.0, 28.09, 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: [2.528700503790198e+01, -4.348078832638645e-01, 2.409026072370832e+00, 1.534106026219473e+04, 6.915420371170039e+01, 3.673690311840700e+02, -2.138770612823292e+03, 1.263721243219460e+03, -1.060708954120770e+03, 6.347213415262852e+00, -9.650444219146460e+02, 7.212779467281151e+04, 1.647493222611809e+03, 2.833528333998038e+02, 5.354034563753344e+02, -3.323608222256192e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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