element(s):
['Al']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233']
model name:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:21       -6.534736         0.013108
BFGS:    1 16:48:21       -6.534743         0.011540
BFGS:    2 16:48:21       -6.534767         0.000002
BFGS:    3 16:48:21       -6.534767         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5006440928193447e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2355300192198393, 7.858012358492873e-36, 1.857348129805113e-36], [1.45825226489104e-35, 3.2355300192198393, 1.9962246240344747e-25], [2.5704052502300788e-37, 1.9962246240012383e-25, 3.2355300192198393]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.50064409e-12 -3.50064409e-12 -3.50064409e-12 -6.38167717e-29
  3.67824057e-64  6.14987168e-63]
energy per atom =  -3.206149764446094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0