element(s):
['Fe']
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:
['2.9647']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:27:15       -8.428807         1.227719
BFGS:    1 01:27:15       -8.487295         0.991437
BFGS:    2 01:27:15       -8.577977         0.184321
BFGS:    3 01:27:15       -8.580588         0.034367
BFGS:    4 01:27:16       -8.580678         0.000985
BFGS:    5 01:27:16       -8.580678         0.000005
BFGS:    6 01:27:16       -8.580678         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.981059143255935e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8502430747636476, -3.620988065682817e-34, 8.065609876591802e-33], [1.7836181273533e-32, 2.8502430747636476, -2.734192616827506e-20], [4.0005274567187165e-33, -2.7341926168313324e-20, 2.8502430747636476]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.98105914e-11 -5.98105914e-11 -5.98105914e-11  5.35863114e-27
 -1.18535024e-35 -3.04141135e-52]
energy per atom =  -4.290338869623911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0