# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0498f0d5-db60-4cc9-bbaa-3c118fd3fa43/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 Si / Fd-3m (227) / materials id 149](https://mdr.nims.go.jp/datasets/39c3c7f1-8580-402e-b963-192613e45efe) ## Fulltext elements: [Si]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: [28.09]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: 1type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0]n_coeffs: 781coeffs: [3.171909072011659e+00, -6.691807226284689e+02, 3.435784103565879e+03, -3.733182424256258e+02, -3.297778484614296e+02, -1.215948849223317e+03, 1.862144636025792e+02, 3.705669782315823e+02, -7.759360394550841e+02, -7.950722141177918e+01, 6.265819842108419e+04, 1.042486712883336e+04, -3.893945089605921e+04, 1.980536135452575e+04, -9.218667170585373e+03, -1.339099069762456e+05, 2.554981503457646e+04, -3.964993538369517e+04, 1.283302037766435e+05, 6.740135919494413e+06, 3.844944735737222e+04, 2.612141918456609e+04, -3.801924756535437e+04, 1.255504733266363e+05, -2.237183825453133e+04, -3.797195189899130e+05, -1.044610484192101e+06, 3.692145293308283e+05, -1.274384295518756e+04, -8.744026289944359e+04, -4.218030613580349e+04, 8.477761256659126e+04, -1.690860206121330e+05, -3.626359116940046e+05, -8.894049283906182e+04, 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