# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ab57e9ec-7918-4e13-9f43-72f76793f9ab/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 TmGaO3 / P6_3cm (185) / materials id 768469](https://mdr.nims.go.jp/datasets/207ca687-0feb-42bd-a15b-6fd4d1cbf882) ## Fulltext elements: [Tm, Ga, 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: [168.9, 69.72, 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: [1.465393289147446e+03, 5.343722632986838e+01, 2.275003272395678e-01, -1.154051705099705e+02, -2.071494209102019e-02, 4.993106492287408e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.575308419206976e+05, 8.050861208700621e+06, 3.880654132079129e+04, 0.000000000000000e+00, -2.271762415885601e+03, 8.050757826709437e+01, -9.438878289077752e+01, 2.729550768957610e+03, 0.000000000000000e+00, -1.443305189873358e+04, 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