element(s):
['Ti']
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:
['3.397']
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 =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:54       -9.379335         1.371418
BFGS:    1 11:17:54       -9.456877         1.259698
BFGS:    2 11:17:54       -9.607955         0.662400
BFGS:    3 11:17:55       -9.623671         0.559381
BFGS:    4 11:17:55       -9.639431         0.079269
BFGS:    5 11:17:55       -9.639800         0.006976
BFGS:    6 11:17:55       -9.639803         0.000015
BFGS:    7 11:17:55       -9.639803         0.000000
BFGS:    8 11:17:55       -9.639803         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.543283618924708e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2274629413247586, -1.8204996326854633e-33, -1.9219381684380273e-32], [-1.4011866654953313e-32, 3.2274629413247595, 1.0546368128170282e-17], [-4.450894074519942e-33, 1.054636812817026e-17, 3.2274629413247586]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.54328362e-13  8.54328362e-13  8.54328362e-13 -4.99934781e-29
  2.46522574e-35 -2.84387035e-51]
energy per atom =  -4.8199016563323624
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0