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_KimKimJung_2017_NiAlTi__MO_478967255435_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 21:13:03      -13.439711         0.034565
BFGS:    1 21:13:04      -13.439760         0.031494
BFGS:    2 21:13:04      -13.440000         0.000234
BFGS:    3 21:13:04      -13.440000         0.000002
BFGS:    4 21:13:05      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.022517373737235e-12 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([[4.044650787208147, 6.3487892807507215e-34, -6.330404868316037e-34], [4.4512597490147655e-34, 4.044650787208147, 1.1670255355821432e-21], [4.3109331419900237e-35, 1.167025535581635e-21, 4.044650787208147]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.02251737e-12 -5.02251737e-12 -5.02251737e-12  7.08044605e-28
  7.84850908e-36 -5.53267319e-52]
energy per atom =  -3.3599999999999395
===============================================