# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/14498650-f3bc-44fa-93d6-c7c963bdbfcf/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 Na3AlH6 / P2_1/c (14) / materials id 23705](https://mdr.nims.go.jp/datasets/4a70924e-4a8e-4182-adb1-08bfa4e14c53)

## Fulltext

elements:      [H, Na, Al]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:          [1.008, 22.99, 26.98]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: [1.058582925541795e-01, 1.492051233343276e-01, 9.118518137248725e-03, 2.513891469179478e+00, 2.943351866399539e+00, 0.000000000000000e+00, 9.849095043737715e+01, 5.159451638853815e+01, -4.022921390262407e+00, 2.640325050057620e+01, -6.271830818320055e+01, 7.626575743008285e+02, -8.431750283921766e+02, 3.785705148530920e-01, -4.883240657906460e+01, 0.000000000000000e+00, 5.027930883923316e+05, -2.408592832867364e+06, 4.445035229923175e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.284392839577168e+01, -1.385838376646482e+02, 6.330123163046374e+00, -1.486784322651273e+02, 2.755144663892511e+01, 1.491672142814136e+04, 7.963618018130393e+03, 3.101009473564752e+00, 3.423077072353787e+04, 0.000000000000000e+00, 2.168550573722732e+05, 0.000000000000000e+00, -2.009066028658825e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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