# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2472fe5a-8a59-47dd-91c4-734353680e4f/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 / P6_3/mmc (194) / materials id 165](https://mdr.nims.go.jp/datasets/b2d398f0-e5f5-41a5-b397-7613057219e1) ## 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: [1.417885894337462e+01, 1.609735042564106e+04, 4.830547699945468e+03, -1.949874117864390e+04, 5.748861045996057e+03, 6.111723659823467e+02, -6.706522929877865e+03, -7.817116290634194e+03, 2.219281743479461e+04, -5.451808782666344e+04, 5.010089141658573e+05, 2.599295820863967e+06, 4.657179886198424e+06, 4.054208322937580e+05, 3.109649215324915e+05, 2.622048323149026e+06, 4.874609275794533e+05, -1.368012240180734e+05, 3.205567872885363e+06, -8.400635028375529e+07, -3.504094710409952e+06, 9.570300452458948e+05, 2.879032021294125e+07, 4.668981368744609e+06, 3.532313380942556e+06, -4.144176455788952e+06, -6.043720797172477e+07, 3.430752572706288e+06, 1.310343679859390e+06, 3.930889916619096e+06, 6.742466306998585e+06, -4.421049609085472e+06, 8.730920450360162e+06, -3.001326593423364e+06, 1.636151409232942e+05, 2.101449019852150e+06, 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