# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cfc462be-9742-46ef-9517-537ada640aac/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 Zr3N4 / Fd-3m (227) / materials id 754381](https://mdr.nims.go.jp/datasets/b1881d22-06c3-4b44-afde-00aeee769d73) ## Fulltext elements: [Zr, N]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: [91.22, 14.01]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: [5.256990544412546e+01, 9.270734576390003e+00, 4.297219345168180e+00, 4.843859520236405e+06, -4.087123209286465e+04, 7.162683843021069e+02, -2.331639495545916e+03, -3.224564582632406e+04, -3.409714853198169e+06, 3.621533131640783e+05, 2.000479136913249e+03, 2.439285992084883e+04, -1.434466351855597e+05, 0.000000000000000e+00, -2.879095666129956e+05, -6.034571588865177e+01, -4.105466603518527e+03, -7.847276685649501e+05, 0.000000000000000e+00, 4.704081547010344e+05, -8.230075099087339e+00, -9.930669122360616e+03, -7.416482796892490e+05, 0.000000000000000e+00, -6.032904620225081e+05, -1.075696982964653e+02, -1.450803989291508e+03, -1.209060070833374e+06, 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