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_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== 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 16:56:12       -8.409326         1.223538
BFGS:    1 16:56:12       -8.467437         0.988875
BFGS:    2 16:56:12       -8.557549         0.175499
BFGS:    3 16:56:12       -8.559924         0.030750
BFGS:    4 16:56:12       -8.559996         0.000863
BFGS:    5 16:56:12       -8.559996         0.000007
BFGS:    6 16:56:12       -8.559996         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.245034694429469e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8509988963917015, -2.2465394131895745e-33, -1.4445761309285314e-33], [3.6093865434836475e-33, 2.8509988963917015, -1.7690614716457703e-18], [-1.3117496408885513e-32, -1.7690614716458072e-18, 2.8509988963917015]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.24503469e-10 -1.24503469e-10 -1.24503469e-10  3.94070041e-27
  9.47777465e-35 -2.40157947e-50]
energy per atom =  -4.279998132361631
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0