# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e664c3a4-81d6-4d04-aa3a-e5cbc8bd0a59/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 HoTaO4 / P2/c (13) / materials id 5985](https://mdr.nims.go.jp/datasets/a68f9718-6d0f-495b-b659-2df9063e2471) ## Fulltext elements: [O, Ho, 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, 164.9, 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: [2.841696555256608e+00, -8.449762011676289e-02, 2.463538993219269e-01, -9.149429279964941e+01, 6.445415561982211e+02, 2.810678534381540e+02, -2.927539993949402e+03, 8.202828446581387e+03, 1.121868211637272e+03, 1.551595264179930e+02, -1.863079430518164e+02, 3.158753861944551e+05, 4.303941662158835e+05, 5.740654898105159e+01, 5.180572463367492e+04, 9.869948920866569e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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