# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/75cc5587-4e45-44a6-879e-9a38b2d2aa88/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 K2TiS3 / C2/c (15) / materials id 28766](https://mdr.nims.go.jp/datasets/47c80907-c92c-4066-8f37-b10d6f62749b) ## Fulltext elements: [S, K, Ti]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: [32.07, 39.1, 47.88]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: [9.911622044214151e+01, 1.445836981118697e+01, 7.334414149457098e-01, 7.489718865427877e+02, 6.491252245191263e+03, 8.239745510262728e+01, -4.908878158625840e+06, -7.458781183153997e+06, 2.072601032935189e+05, 1.387742456745842e+06, -3.825059584151237e+05, 0.000000000000000e+00, 0.000000000000000e+00, 5.678342287192352e+01, -1.196593819834484e+07, 1.105767899381160e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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