# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e92e206-faaa-4198-8045-6bddff26ef15/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 MgGeO3 / R-3 (148) / materials id 3759](https://mdr.nims.go.jp/datasets/57db035f-8f83-4d28-8397-6140b245aa1e)

## Fulltext

elements:      [O, Mg, Ge]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, 24.31, 72.61]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: [1.137133172673820e+00, 4.889235052801866e-02, -5.654968656137455e-02, 1.546897886104902e+01, 6.298987403376442e+00, 9.429135583320049e+00, 1.471473058849482e+03, 6.781737134845198e+02, 8.503815971802415e+01, 1.432061374219085e+01, -2.418163434537088e+02, 1.282073541897109e+02, 4.845880571709334e+02, 3.948479385454511e+00, -2.423962231996394e+02, 1.085876671661251e+03, 6.360116360900294e+04, -2.330610845740651e+04, 4.945266101553944e+03, 2.328322574193372e+04, -2.964630620425762e+04, -4.300302541796080e+03, -5.578691659301170e+02, -3.744184857464346e+01, 5.539464469130908e+01, 4.446034561438799e+01, -6.429533145749817e+03, 9.029111006595798e+03, 7.393845508775489e+01, 2.553620732672142e+02, 5.333697390239111e+02, -7.061230953179693e+05, 1.712170111029038e+05, 2.661267060530964e+03, -1.283146925826121e+06, 3.890707112583396e+05, 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