# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2b19acb-f99f-42a9-988e-552b20f7dac7/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 NdNbO4 / C2/c (15) / materials id 3901](https://mdr.nims.go.jp/datasets/ff8d61e4-7230-4c3d-a77d-eb4f190896b6) ## Fulltext elements: [O, Nb, Nd]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, 92.91, 144.2]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: [9.664369548787002e+00, 2.618609174205923e-01, 2.120021283293574e-01, 4.391784956819969e+02, 4.184353149299731e+03, 8.752151078319941e+03, -4.074061469216905e+02, 1.184363795196671e+03, -2.724356852407637e+02, 3.000634453392201e+01, 6.686525019638704e+01, -1.407587074105048e+04, 2.359496085397339e+05, 5.786457148150628e+02, 7.345343607079735e+06, 1.514491018399096e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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