element(s):
['Al', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0145']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0145, 0, 0], [0, 4.0145, 0], [0, 0, 4.0145]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:59:45      -15.595556         0.805837
BFGS:    1 11:59:45      -15.620605         0.643931
BFGS:    2 11:59:45      -15.662264         0.051245
BFGS:    3 11:59:45      -15.662509         0.002857
BFGS:    4 11:59:45      -15.662510         0.000013
BFGS:    5 11:59:45      -15.662510         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6239946895538074e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ti']
basis =  [[0.000000e+00 5.000000e-01 5.000000e-01]
 [5.000000e-01 1.106213e-16 5.000000e-01]
 [5.000000e-01 5.000000e-01 1.106213e-16]
 [0.000000e+00 1.106213e-16 1.106213e-16]]
cellpar =  Cell([[3.960202823322931, -3.320733607677357e-32, 4.97707326839873e-33], [-2.491518888288606e-32, 3.960202823322931, -3.263949952466759e-19], [-1.8397503637803395e-33, -3.263949952466821e-19, 3.960202823322931]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62399469e-10 -1.62399469e-10 -1.62399469e-10  7.25286252e-27
  2.61977713e-34 -5.65173793e-51]
energy per atom =  -3.9156274492253385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0