# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c99c2d35-6f39-42be-89ba-bc5e3f23c84e/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 Tl4O3 / P2_1/m (11) / materials id 27684](https://mdr.nims.go.jp/datasets/2fa182c2-7d21-49f7-88e7-e97507480190) ## Fulltext elements: [O, Tl]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: [16.0, 204.4]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: [-8.876756853327106e+01, 2.643712439971096e+00, 1.763905541200770e+02, 1.348312198958405e+06, -1.485722783710351e+04, 9.096883872663182e+01, 2.776854946747589e+04, 0.000000000000000e+00, -1.379497080106958e+07, 3.328755534443874e+03, -3.984168759524526e+03, 1.714167972327460e+06, 0.000000000000000e+00, -2.705972702906956e+07, -6.450784518955515e+05, 1.914031438291525e+03, 5.091710102872589e+06, 0.000000000000000e+00, -2.599666604168657e+07, -5.212278762205673e+05, -1.158955959359770e+03, -5.251659180832758e+05, 0.000000000000000e+00, 1.494974652954737e+07, 1.932891902085207e+05, -2.350389382287069e+02, -1.442113037245910e+06, 0.000000000000000e+00, 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