element(s):
['Al', 'Ti']
AFLOW prototype label:
AB2_cF12_216_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4686']
model name:
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.4686, 0, 0], [0, 6.4686, 0], [0, 0, 6.4686]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:05:21      -48.467439         1.127987
BFGS:    1 10:05:21      -48.520857         1.081845
BFGS:    2 10:05:21      -48.672105         0.933576
BFGS:    3 10:05:21      -48.800584         0.778422
BFGS:    4 10:05:21      -48.905330         0.617253
BFGS:    5 10:05:21      -48.985490         0.450712
BFGS:    6 10:05:21      -49.040297         0.279281
BFGS:    7 10:05:21      -49.069040         0.103231
BFGS:    8 10:05:21      -49.073500         0.002047
BFGS:    9 10:05:21      -49.073502         0.000012
BFGS:   10 10:05:21      -49.073502         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.0976103231503536e-31 eV/Angstrom
Maximum stress component: 4.096306639078171e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[2.56879351e-34 5.13581319e-34 2.56790659e-34]
 [5.13684078e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.83926965e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.29162918e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.55293863e-34 2.55787571e-34]
 [2.54019619e-34 5.00000000e-01 3.67853930e-34]
 [5.10595589e-34 4.29162918e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.282700136663529, 1.961878753904176e-33, -7.262794720283826e-34], [-9.17995618202737e-34, 6.282700136663529, -4.42215511801993e-18], [3.1946476432220936e-33, -4.422155118019929e-18, 6.282700136663529]])
forces =  [[ 6.45335484e-33  6.45335484e-33  3.22667742e-33]
 [ 6.45335484e-33  3.22667742e-33  6.45335484e-33]
 [ 6.45335484e-33  3.22667742e-33  6.45335484e-33]
 [ 3.22667742e-33  6.45335484e-33  6.45335484e-33]
 [ 1.61333871e-33  3.22667742e-33 -2.42000806e-33]
 [ 3.22667742e-33  3.22667742e-33 -3.22667742e-33]
 [ 3.22667742e-33  4.84001613e-33 -3.22667742e-33]
 [ 3.22667742e-33  3.22667742e-33 -2.27113626e-51]
 [-5.40468468e-32 -2.97660992e-31 -1.29067097e-32]
 [-7.26002419e-33  1.87147290e-31 -1.54880516e-31]
 [-3.63001210e-32 -3.09761032e-31  1.22613742e-31]
 [ 3.22667742e-32  2.06507355e-31  6.05002016e-33]]
stress =  [-4.09630664e-10 -4.09630664e-10 -4.09630664e-10 -1.52618093e-26
  1.30111761e-35  2.25110991e-51]
energy per atom =  -4.069047277047248
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0