# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/58abbd0d-cf0d-4f16-9746-ee96daa96ca3/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 DyTaO4 / P2/c (13) / materials id 7703](https://mdr.nims.go.jp/datasets/0a2d7ff2-c35d-4be7-accf-e64515a1e177) ## Fulltext elements: [O, Dy, 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, 162.5, 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: [4.820417256780401e+00, 3.991763053084833e-02, 1.253675046832649e-01, 5.018112005806261e+02, 6.305170893860360e+02, 1.627020391686473e+02, -2.266735790918671e+02, 1.015777075542643e+04, 8.500037509890592e+02, 1.176189998146339e+02, -2.837953003587693e+02, 3.115163624161375e+05, -1.035687109322731e+05, 5.329552464281841e+01, 1.038762618147013e+05, 3.726488830827976e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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