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 17:54:05       -8.409326        1.2235
BFGS:    1 17:54:05       -8.467437        0.9889
BFGS:    2 17:54:05       -8.557549        0.1755
BFGS:    3 17:54:05       -8.559924        0.0307
BFGS:    4 17:54:05       -8.559996        0.0009
BFGS:    5 17:54:05       -8.559996        0.0000
BFGS:    6 17:54:05       -8.559996        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2450288558733237e-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, -1.2987411911085666e-33, 1.5288291702791964e-33], [4.157135197250584e-33, 2.8509988963917015, -1.84396253651881e-19], [-9.267114388767426e-34, -1.8439625365192771e-19, 2.8509988963917015]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.24502886e-10 -1.24502886e-10 -1.24502886e-10  2.90922038e-27
  7.89814554e-36  1.36753723e-52]
energy per atom =  -4.279998132361634
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0