# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f818febd-6c2e-4f7e-bd16-71ee32a38c65/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 Li3AsS3 / Pna2_1 (33) / materials id 28471](https://mdr.nims.go.jp/datasets/43d909a8-d1de-4d23-9356-929687ec45e0) ## Fulltext elements: [Li, S, As]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: [6.941, 32.07, 74.92]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: [4.748135850655911e+00, 5.207748283497003e-01, -5.006658333263056e+01, 8.935122260101554e+01, -2.673650385088579e-01, 1.563197067900122e+05, 1.069739669413288e+05, 1.144185581405929e+04, -1.534433621154437e+06, -1.974611332287132e+02, 1.056848976187340e+05, -9.908276331259075e+04, -1.947959375973394e+03, 9.878323798702819e+05, 6.854585283762452e+03, 0.000000000000000e+00, 0.000000000000000e+00, 7.119375563346108e+05, 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