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:
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_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 17:55:19       -8.423147        1.2719
BFGS:    1 17:55:19       -8.485707        1.0188
BFGS:    2 17:55:19       -8.577812        0.1697
BFGS:    3 17:55:19       -8.579935        0.0298
BFGS:    4 17:55:19       -8.580000        0.0007
BFGS:    5 17:55:19       -8.580000        0.0000
BFGS:    6 17:55:19       -8.580000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9685230730000256e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.851000028717956, -1.694734832283953e-32, -2.3143245458390887e-32], [-1.664059293189605e-32, 2.851000028717956, -6.835823377589922e-18], [5.704069772277739e-33, -6.835823377589992e-18, 2.851000028717956]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96852307e-11 -1.96852307e-11 -1.96852307e-11 -3.07729861e-27
  2.52740457e-34  2.43429422e-50]
energy per atom =  -4.289999945844359
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0