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_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_001
==== 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 09:39:17       -6.480437        0.0743
BFGS:    1 09:39:17       -6.480654        0.0620
BFGS:    2 09:39:17       -6.481149        0.0010
BFGS:    3 09:39:17       -6.481150        0.0000
BFGS:    4 09:39:17       -6.481150        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3663635021076519e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.222712609465462, 1.5522138630027981e-37, 4.161337451500597e-36], [-1.241771090402217e-36, 3.222712609465462, -3.0577599353570165e-21], [-8.684372319193895e-34, -3.0577599353570158e-21, 3.222712609465462]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.36636350e-10 1.36636350e-10 1.36636350e-10 3.04016468e-26
 3.46149813e-34 3.85308350e-50]
energy per atom =  -3.2405747745287763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0