# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d9df53e-e4cf-4797-9a1b-08d65df92bd0/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 Ho2SO2 / P6_3/mmc (194) / materials id 756922](https://mdr.nims.go.jp/datasets/627361a2-5cda-4977-9ce9-4208527dc6d3) ## Fulltext elements: [Ho, S, 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, 32.07, 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: [3.330334499770314e+02, 9.165804580278163e-01, 1.031043321000073e-01, -3.446860089456635e+01, 1.167162517811408e+01, 1.239732348666914e+00, 0.000000000000000e+00, 7.078618350772288e+06, 5.499363469314225e+04, 7.010578257120368e+02, 2.104774685802867e+03, 0.000000000000000e+00, 1.194643789375693e+05, 4.881201230164911e+01, 1.195848120734076e+04, 1.958298133945567e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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