# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70539f4d-a7be-440a-b80a-37516d8bbb1d/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 TaPO5 / P4/nmm (129) / materials id 15844](https://mdr.nims.go.jp/datasets/fd87f6c6-9551-4aaf-bca3-06b12ee83e43) ## Fulltext elements: [O, P, Ta]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, 30.97, 180.9]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: [8.870761880796705e-01, 2.187525753748022e-02, 1.030731654176202e-01, 1.495553603795039e+04, 4.908746699971157e+01, -2.746530482691479e+04, 1.741037254916220e+03, 6.753643497328604e+00, -4.240750639389881e+02, 1.515018997957052e+00, 3.067779690810838e+01, 2.540675563278127e+05, 1.164730299950476e+04, 3.056090101963461e+01, 2.343883043339807e+05, -1.472883204014913e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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