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 11:13:38      -19.286040         0.637210
BFGS:    1 11:13:38      -19.302359         0.557697
BFGS:    2 11:13:38      -19.352321         0.105196
BFGS:    3 11:13:39      -19.354124         0.001774
BFGS:    4 11:13:39      -19.354124         0.000001
BFGS:    5 11:13:39      -19.354124         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2933367857655378e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.32132764e-35]]
cellpar =  Cell([[4.148337158559162, -6.43378738305542e-33, -1.3740624434910798e-32], [1.980518497487363e-33, 4.148337158559162, -1.4015250582664832e-18], [-7.72804882811767e-33, -1.4015250582664751e-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 -5.89046648e-27
 -2.98442813e-35  1.83060393e-50]
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