# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a3fb50b4-692b-4812-b278-ff6381bbb0af/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 In2(TeO3)3 / Pnma (62) / materials id 28091](https://mdr.nims.go.jp/datasets/1ac05a8d-007e-4300-9d4f-09985d939c89) ## Fulltext elements: [In, Te, 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: [114.8, 127.6, 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: [4.918467538013510e+03, 3.605179395821719e+02, -1.244348426809556e+00, 4.158082169375294e+02, -6.094419867903973e-01, 3.966538941725931e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.486166070412257e+06, 0.000000000000000e+00, -4.627405160050657e+05, 0.000000000000000e+00, 1.767993300081521e+05, -2.087353961747651e+01, -5.023922151738802e+02, -4.460900438380054e+03, 0.000000000000000e+00, 1.396633333395063e+06, 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