# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4eeaf8d2-8b97-446b-80ae-9e0d782b5c7b/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 NaSe / P6_3/mmc (194) / materials id 15668](https://mdr.nims.go.jp/datasets/44982381-4cdb-477d-9ae3-bdc247485228) ## Fulltext elements: [Na, Se]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: [22.99, 78.96]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [9.291431903005012e+01, 2.829094238498178e+01, 7.619879317616777e-01, 0.000000000000000e+00, 0.000000000000000e+00, 2.898446620617904e+04, -4.485686189212778e+03, 6.704938753965553e+02, 0.000000000000000e+00, 0.000000000000000e+00, -3.840681682157943e+05, 4.488114258421956e+03, 3.780751503747855e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.547633224415639e+05, 7.965169832076979e+03, 2.987419553187711e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.932183961557370e+04, -5.885905225941860e+02, 2.490460710884536e+02, 0.000000000000000e+00, 0.000000000000000e+00, -2.403778115436577e+05, -1.197292047873367e+04, -2.206996197402696e+02, 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