# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1e20c7eb-2f78-4063-83cb-642a88128e8a/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 Li8TiO6 / P6_3cm (185) / materials id 772521](https://mdr.nims.go.jp/datasets/ff8fa2a6-0e57-436a-8d86-0c89e255450a)

## Fulltext

elements:      [Li, Ti, 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:          [6.941, 47.88, 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: [6.669452593781652e-01, 2.888732754207297e+00, 2.637524843408995e-02, 0.000000000000000e+00, 7.774098130968105e-03, 8.222855780933585e+00, 9.213057611075508e-01, 1.135446515806034e+03, -9.348611844027872e+00, 9.160905299630859e+01, -1.292431012299683e+01, 0.000000000000000e+00, 2.836205488559038e+01, 7.967322856066510e-01, -3.826193048423527e+01, 4.332197388984725e+02, 0.000000000000000e+00, 0.000000000000000e+00, 7.437128353784151e+00, 1.152971727645137e+03, 2.438036236645728e+03, 1.253310649114505e+01, 6.675324409064482e+02, -9.063249438871013e+01, -6.640391997434400e+02, -2.093704652332328e+02, 0.000000000000000e+00, -1.774705861486945e+03, -1.034961578742476e+01, 6.290501884736992e+01, -8.525624540777773e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.021983731106148e+01, 7.724022132282128e+02, -7.312796622868457e+04, 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