element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:53      -19.286040         0.637210
BFGS:    1 15:17:53      -19.302359         0.557697
BFGS:    2 15:17:53      -19.352321         0.105196
BFGS:    3 15:17:53      -19.354124         0.001774
BFGS:    4 15:17:53      -19.354124         0.000001
BFGS:    5 15:17:53      -19.354124         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.293336785765539e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.148337158559162, -5.1957459988785654e-33, -1.3892441229905906e-32], [9.900853901249824e-34, 4.148337158559162, -1.401525058266482e-18], [-1.5018865951751751e-34, -1.401525058266483e-18, 4.148337158559162]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.29333679e-11  2.29333679e-11  2.29333679e-11  1.24630947e-26
 -2.98442813e-35 -7.09806550e-51]
energy per atom =  -4.8385311111030065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0