element(s):
['Al']
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:
['4.039']
model name:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:50:07      -13.411637         0.055853
BFGS:    1 22:50:07      -13.411766         0.051713
BFGS:    2 22:50:07      -13.412545         0.000586
BFGS:    3 22:50:07      -13.412545         0.000006
BFGS:    4 22:50:08      -13.412545         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.669449443358153e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.049985799704913, 2.5869409858143003e-32, -5.886097502711619e-34], [1.9996833507150288e-32, 4.049985799704913, -2.228983115447899e-18], [1.4300870359191652e-33, -2.2289831154479096e-18, 4.049985799704913]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.66944944e-11 -4.66944944e-11 -4.66944944e-11 -6.46137473e-28
  7.82784515e-36  6.89514280e-53]
energy per atom =  -3.3531363525825237
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0