# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7e4d2802-78a1-428e-a3c1-ea6c2f8ea3b8/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 Sb2Ir / P2_1/c (14) / materials id 1247](https://mdr.nims.go.jp/datasets/41436f09-a06e-4151-a8bc-dc7124f5e57e) ## Fulltext elements: [Sb, Ir]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: [121.8, 192.2]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: [6.322758709007682e+01, -2.394192988769527e+00, -6.624336576218343e+02, -1.980160712086032e+04, -1.407752607235461e+04, 9.311718155593044e+03, 5.649791372024610e+05, 4.602733639354540e+07, 2.769649211993610e+05, -2.545890271353889e+05, -4.050183354423719e+04, -7.316459373278570e+05, 2.507359620144540e+07, 2.263729255607153e+05, 5.550015121226150e+05, -3.183514148228311e+03, -7.188587787792414e+06, 2.049235794164779e+07, -8.851349473687677e+05, -3.052567263005893e+05, 3.123149625040546e+03, -2.630376832622197e+06, 1.635620485247836e+07, 3.017235098183159e+05, 9.510823054851247e+05, 3.390153853738560e+03, -1.218048636886981e+06, -1.535145491215646e+07, 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