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_LeeBaskesKim_2001_Fe__MO_196726067688_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 17:54:05       -8.456215        1.1285
BFGS:    1 17:54:05       -8.505480        0.9048
BFGS:    2 17:54:05       -8.579873        0.0414
BFGS:    3 17:54:05       -8.579996        0.0072
BFGS:    4 17:54:05       -8.580000        0.0000
BFGS:    5 17:54:05       -8.580000        0.0000
BFGS:    6 17:54:05       -8.580000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.693550144964434e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8636573330356714, 1.608349412966511e-33, -9.331393021610018e-34], [8.175412879370681e-34, 2.8636573330356714, 9.25498667298825e-20], [8.790140023101573e-34, 9.254986672983417e-20, 2.8636573330356714]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.69355014e-14 -2.69355014e-14 -2.69355014e-14  2.42201438e-31
 -1.19536329e-63 -1.74290871e-63]
energy per atom =  -4.290000011128766
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0