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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 13:14:32      -22.328978         0.930216
BFGS:    1 13:14:32      -22.384807         0.803861
BFGS:    2 13:14:32      -22.532128         0.375811
BFGS:    3 13:14:32      -22.590710         0.197845
BFGS:    4 13:14:32      -22.593809         0.160023
BFGS:    5 13:14:32      -22.595405         0.125443
BFGS:    6 13:14:32      -22.597779         0.065141
BFGS:    7 13:14:32      -22.598927         0.031973
BFGS:    8 13:14:32      -22.599238         0.039830
BFGS:    9 13:14:32      -22.599284         0.037622
BFGS:   10 13:14:32      -22.599329         0.034928
BFGS:   11 13:14:33      -22.599468         0.029115
BFGS:   12 13:14:33      -22.599793         0.029335
BFGS:   13 13:14:33      -22.600542         0.042975
BFGS:   14 13:14:33      -22.601575         0.049796
BFGS:   15 13:14:33      -22.602653         0.036405
BFGS:   16 13:14:33      -22.603433         0.005098
BFGS:   17 13:14:33      -22.603448         0.000441
BFGS:   18 13:14:33      -22.603448         0.000048
BFGS:   19 13:14:33      -22.603448         0.000003
BFGS:   20 13:14:33      -22.603448         0.000000
BFGS:   21 13:14:33      -22.603448         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.9911500176739548e-11 eV/Angstrom
Maximum stress component: 9.051596672942898e-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]
 [2.36979661e-35 3.59037291e-33 6.69049873e-01]
 [0.00000000e+00 0.00000000e+00 3.30950127e-01]
 [5.00000000e-01 5.00000000e-01 1.69049873e-01]
 [5.00000000e-01 5.00000000e-01 8.30950127e-01]]
cellpar =  Cell([[3.433056108555196, -3.7865858883649084e-36, 5.99675307657972e-32], [-1.9324269846481527e-36, 3.433056108555196, -3.730590598576878e-17], [-1.1959365145650575e-33, -9.941706263447914e-17, 8.844345830813886]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.05789209e-32 -2.23798998e-28  1.99115002e-11]
 [-2.64473022e-32  2.23798998e-28 -1.99115002e-11]
 [-2.11578418e-32 -2.23798998e-28  1.99115002e-11]
 [-2.11578418e-32  2.23798998e-28 -1.99115002e-11]]
stress =  [-6.64238890e-12 -6.64238890e-12 -9.05159667e-12  9.34422342e-27
  7.22520179e-45 -7.00209962e-60]
energy per atom =  -3.7672413193639396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0