# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7e757276-7d2b-48dc-9f9d-9bb32835ca1b/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 Dy2S3 / I-42d (122) / materials id 32826](https://mdr.nims.go.jp/datasets/a23997cb-ad8f-46a7-8c7c-58a6e2cb30ce) ## Fulltext elements: [Dy, S]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: [162.5, 32.07]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: [-7.395479070325539e+03, -1.454611787923968e+00, 1.938966989445785e+02, 0.000000000000000e+00, 2.081193455767138e+07, 1.481229504421505e+04, -8.162257092947994e+05, -3.080068458913490e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.306080991045529e+05, 5.088794762578317e+06, 1.556807316435702e+07, 0.000000000000000e+00, 0.000000000000000e+00, 8.991460469649787e+04, 1.457042120374859e+06, -1.608286526355686e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.060580692154337e+05, -1.041287457855591e+06, -1.697687710738233e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.219470403792265e+03, -9.100173695692776e+05, -4.444738682156808e+06, 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