element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:59:07       -8.208480         2.912346
BFGS:    1 10:59:07       -8.406407         1.709289
BFGS:    2 10:59:07       -8.528303         0.716694
BFGS:    3 10:59:08       -8.554397         0.211752
BFGS:    4 10:59:08       -8.555679         0.097472
BFGS:    5 10:59:08       -8.555966         0.068709
BFGS:    6 10:59:08       -8.556672         0.067585
BFGS:    7 10:59:09       -8.557036         0.036815
BFGS:    8 10:59:09       -8.557136         0.011050
BFGS:    9 10:59:09       -8.557144         0.001942
BFGS:   10 10:59:09       -8.557144         0.000070
BFGS:   11 10:59:10       -8.557144         0.000005
BFGS:   12 10:59:10       -8.557144         0.000000
BFGS:   13 10:59:10       -8.557144         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.2632035898715328e-33 eV/Angstrom
Maximum stress component: 7.724784525775436e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.544214820062531, -3.532482760837744e-17, -1.0845608152894223e-36], [-1.2721074100312655, 2.203354666859007, -4.890894129835053e-36], [2.251852359428954e-36, 2.0300430673985033e-37, 4.13892053319075]])
forces =  [[-1.30666120e-33  2.26320359e-33 -5.02374371e-69]
 [ 1.30666120e-33 -2.26320359e-33  5.02374371e-69]]
stress =  [-1.50155451e-11 -1.50155451e-11 -7.72478453e-11  4.50534141e-33
  4.29626957e-46  1.37115011e-27]
energy per atom =  -4.27857201499419
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0