element(s):
['Al', 'Au']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0428']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.0428, 0, 0], [0, 6.0428, 0], [0, 0, 6.0428]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:50:41      -40.156445         0.669180
BFGS:    1 14:50:41      -40.175308         0.646236
BFGS:    2 14:50:41      -40.263386         0.528909
BFGS:    3 14:50:41      -40.334214         0.416255
BFGS:    4 14:50:41      -40.388500         0.308347
BFGS:    5 14:50:42      -40.426939         0.204897
BFGS:    6 14:50:42      -40.450175         0.105573
BFGS:    7 14:50:42      -40.458795         0.009944
BFGS:    8 14:50:42      -40.458874         0.000193
BFGS:    9 14:50:42      -40.458874         0.000000
BFGS:   10 14:50:42      -40.458874         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.6083742903222909e-31 eV/Angstrom
Maximum stress component: 6.104890274670336e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]]
cellpar =  Cell([[6.201354040833129, -8.434101101426478e-33, -1.7724984126014482e-32], [-4.3230226574932796e-32, 6.201354040833129, -1.8275167797541206e-17], [4.011242365909457e-33, -1.8275167797541234e-17, 6.201354040833129]])
forces =  [[-1.27395983e-32  2.81573543e-49 -9.55469875e-32]
 [ 6.29017668e-32 -6.29017668e-32 -7.72338149e-32]
 [ 1.47301606e-32  9.55469875e-33  1.11471485e-31]
 [ 1.33765783e-31 -5.65319676e-32 -1.22618634e-31]
 [-1.60837429e-31  6.52904415e-32  1.43320481e-32]
 [-4.37923693e-33 -1.43320481e-32  1.03509237e-31]
 [ 9.55469875e-33 -1.79150602e-32  6.36979917e-33]
 [-1.55263855e-31  5.81244174e-32  1.12665823e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.10489027e-13 -6.10489027e-13 -6.10489027e-13  1.44109697e-29
 -4.67416684e-35 -4.26926494e-52]
energy per atom =  -3.3715728696358176
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0