element(s):
['Al', 'Au']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3378', '2.679819', '0.6560557']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.        0.        0.       ]
 [0.        0.        0.6560557]]
spacegroup =  139
cell =  [[3.3378, 0, 0], [0, 3.3378, 0], [0, 0, 8.9447]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:45:36      -23.608866        0.2586
BFGS:    1 13:45:36      -23.610074        0.2490
BFGS:    2 13:45:36      -23.614540        0.0863
BFGS:    3 13:45:36      -23.615631        0.0551
BFGS:    4 13:45:36      -23.615892        0.0618
BFGS:    5 13:45:36      -23.616388        0.1157
BFGS:    6 13:45:36      -23.617340        0.0788
BFGS:    7 13:45:36      -23.617735        0.0698
BFGS:    8 13:45:36      -23.619180        0.0574
BFGS:    9 13:45:36      -23.624401        0.1105
BFGS:   10 13:45:36      -23.630285        0.1752
BFGS:   11 13:45:36      -23.636267        0.2295
BFGS:   12 13:45:36      -23.642152        0.2758
BFGS:   13 13:45:36      -23.647718        0.3146
BFGS:   14 13:45:36      -23.652713        0.3436
BFGS:   15 13:45:36      -23.656843        0.3605
BFGS:   16 13:45:36      -23.660447        0.3619
BFGS:   17 13:45:36      -23.665759        0.3215
BFGS:   18 13:45:36      -23.673252        0.2186
BFGS:   19 13:45:36      -23.677962        0.0857
BFGS:   20 13:45:36      -23.678991        0.0401
BFGS:   21 13:45:36      -23.679572        0.0320
BFGS:   22 13:45:36      -23.679862        0.0097
BFGS:   23 13:45:36      -23.679877        0.0020
BFGS:   24 13:45:36      -23.679878        0.0001
BFGS:   25 13:45:36      -23.679878        0.0000
BFGS:   26 13:45:36      -23.679878        0.0000
BFGS:   27 13:45:37      -23.679878        0.0000
BFGS:   28 13:45:37      -23.679878        0.0000
Minimization converged after 28 steps.
Maximum force component: 1.059292323996042e-11 eV/Angstrom
Maximum stress component: 3.0493861528507314e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Au', 'Au', 'Au', 'Au']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.09275383e-33 0.00000000e+00 6.52355225e-01]
 [1.80027883e-33 0.00000000e+00 3.47644775e-01]
 [5.00000000e-01 5.00000000e-01 1.52355225e-01]
 [5.00000000e-01 5.00000000e-01 8.47644775e-01]]
cellpar =  Cell([[3.1653071220179525, 6.590339248918725e-36, 7.224220877945238e-32], [5.2843918098119537e-36, 3.165307122017952, 1.0909078937832094e-16], [4.563037061107202e-32, 2.882269045713528e-16, 9.743909712390849]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.75385563e-33 -3.13360412e-28 -1.05929232e-11]
 [ 9.75385563e-33  3.13331150e-28  1.05929232e-11]
 [-1.46307834e-32 -3.13355535e-28 -1.05929232e-11]
 [ 9.75385563e-33  3.13331150e-28  1.05929232e-11]]
stress =  [-2.43457816e-12 -2.43457816e-12 -3.04938615e-12  3.15304461e-27
 -1.23920821e-43  1.28133608e-58]
energy per atom =  -3.9466463684407613
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0