element(s):
['Al']
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:
['3.233']
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 =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:40       -6.431777        0.1555
BFGS:    1 13:54:40       -6.432743        0.1344
BFGS:    2 13:54:40       -6.435511        0.0050
BFGS:    3 13:54:40       -6.435514        0.0002
BFGS:    4 13:54:40       -6.435514        0.0000
BFGS:    5 13:54:40       -6.435514        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1169560601443893e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.207406326411294, -5.123534328715722e-33, -1.3428173457055247e-33], [-8.015646330937088e-33, 3.207406326411294, -9.514833353562483e-20], [2.0054664742296233e-34, -9.514833353562925e-20, 3.207406326411294]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.11695606e-13 -3.11695606e-13 -3.11695606e-13 -4.83693173e-30
 -9.98461333e-35 -9.90639411e-52]
energy per atom =  -3.2177570678228746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0