# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a6276f1d-eff3-4bb6-a134-9688ecac262c/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 Li4PbO4 / Cmcm (63) / materials id 22170](https://mdr.nims.go.jp/datasets/d027ea7c-996c-4c3f-814a-5c0bf9dd1ca3) ## Fulltext elements: [Li, O, Pb]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, 16.0, 207.2]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: 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: [2.216185619688637e+00, 9.440662030259203e-02, 2.861542962872366e+01, -7.311028521503763e+00, 1.128125132830883e-01, -3.831535944706983e+03, 3.432881499513862e+02, 1.336060713645929e+02, -1.045893551210691e+04, 9.823600982570434e-01, -1.185429956629581e+02, 8.225957020367019e+02, -2.576787410991999e+01, -4.370772504064199e+05, -1.872746511849073e+04, 0.000000000000000e+00, -3.371136238200565e+05, 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