# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9ebfcd93-45f2-4338-8344-8a373d47df5c/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 NbPO5 / P4/nmm (129) / materials id 4888](https://mdr.nims.go.jp/datasets/4dec9e94-7417-402e-9bd3-fce9cd594286) ## Fulltext elements: [O, P, Nb]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, 92.91]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: [6.968526310081707e-01, 4.086048490820262e-03, 2.097691008043603e-01, -8.636115805190297e+04, 1.973859809209715e+02, 8.565228173128913e+04, 2.245116168978054e+03, 7.415081496260213e+00, 4.136220573074762e+01, 1.526296425826053e+00, 6.750306461545949e+01, -7.407247790976093e+06, 8.533941919042170e+03, 2.551238697218844e+01, 4.419493329765552e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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