element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:56:31       -3.238694         1.800667
BFGS:    1 10:56:31       -3.316022         0.922676
BFGS:    2 10:56:31       -3.347788         0.203256
BFGS:    3 10:56:31       -3.349739         0.063765
BFGS:    4 10:56:32       -3.349974         0.013071
BFGS:    5 10:56:32       -3.349983         0.013580
BFGS:    6 10:56:32       -3.349985         0.008877
BFGS:    7 10:56:32       -3.349987         0.000295
BFGS:    8 10:56:32       -3.349987         0.000030
BFGS:    9 10:56:32       -3.349987         0.000000
BFGS:   10 10:56:32       -3.349987         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.748754919442049e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3675638096070313, -4.575465731046726e-34, -8.453371458977293e-33], [-4.150565578738493e-34, 2.3675638096070313, -1.2945522869791607e-17], [-1.0386725713854035e-32, -1.3354204268052799e-17, 2.367563809345244]])
forces =  [[0. 0. 0.]]
stress =  [-1.14170849e-11 -1.14170849e-11 -1.74875492e-10 -3.70621524e-28
  7.17107447e-43 -3.01312303e-60]
energy per atom =  -3.349987430894503
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.