# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/33e34739-521a-41a6-a9a3-a46b7a3c99ce/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 Ho2TiO5 / Pnma (62) / materials id 768605](https://mdr.nims.go.jp/datasets/ffe26a49-c3cb-4074-90c9-25aa23bf18be) ## Fulltext elements: [Ho, Ti, 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: [164.9, 47.88, 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: [3.232188120035221e+03, 5.693907233378011e+01, 2.266462741448417e-01, 5.854266678546334e+03, -3.317832948617946e-02, 4.303864095720109e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.703747656368887e+04, 4.702779637432397e+06, -2.556718712334047e+04, 0.000000000000000e+00, 1.950399054928130e+04, 8.142665629547075e+01, -1.934455542248483e+02, 1.546820460961456e+03, 0.000000000000000e+00, 5.385861824092660e+05, 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