element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
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:
['2.2256', '1.0359004']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:29:03       -3.130996        2.1582
BFGS:    1 17:29:03       -3.241414        1.0447
BFGS:    2 17:29:03       -3.282495        0.2452
BFGS:    3 17:29:03       -3.285122        0.0469
BFGS:    4 17:29:03       -3.285218        0.0290
BFGS:    5 17:29:03       -3.285233        0.0213
BFGS:    6 17:29:03       -3.285243        0.0044
BFGS:    7 17:29:03       -3.285244        0.0008
BFGS:    8 17:29:03       -3.285244        0.0000
BFGS:    9 17:29:03       -3.285244        0.0000
BFGS:   10 17:29:03       -3.285244        0.0000
BFGS:   11 17:29:03       -3.285244        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.4448950033915976e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3830863847352077, 2.5320450409565104e-34, 6.161026807344669e-37], [1.8514496561208743e-34, 2.383086384735208, 7.793644193716833e-21], [1.2571213158429919e-33, 7.848260509410333e-21, 2.3830863847626365]])
forces =  [[0. 0. 0.]]
stress =  [-4.44489500e-11 -4.44489500e-11 -2.72503464e-11  2.25470134e-27
  9.00803080e-35  3.36718984e-51]
energy per atom =  -3.285244208917089
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.