# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f655a3f7-859b-4863-8877-afed6eb15fd7/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 Lu2Te4O11 / C2/c (15) / materials id 542676](https://mdr.nims.go.jp/datasets/e5655842-e6aa-418d-ab35-847e55d4acf2) ## Fulltext elements: [Lu, Te, O]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: [175.0, 127.6, 16.0]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: [6.294936082227907e+03, 2.838155282555367e+03, 4.241370443863894e+00, -3.556905764410481e+03, -6.355689848907391e-01, -6.206327247980683e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.771599786249283e+05, 0.000000000000000e+00, 4.675777160875937e+05, 0.000000000000000e+00, 8.030358171122416e+05, 2.895465399249164e+02, -5.943412394187993e+02, 1.378152388798309e+04, 0.000000000000000e+00, 2.577716811705265e+05, 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