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_KimJungLee_2010_FeNbC__MO_072689718616_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 17:29:02       -1.593805       17.2568
BFGS:    1 17:29:02       -3.467302       11.1341
BFGS:    2 17:29:02       -4.680695        6.6303
BFGS:    3 17:29:02       -5.343450        3.4105
BFGS:    4 17:29:02       -5.631412        1.1484
BFGS:    5 17:29:02       -5.675846        0.2937
BFGS:    6 17:29:02       -5.678893        0.0531
BFGS:    7 17:29:02       -5.678999        0.0411
BFGS:    8 17:29:02       -5.679033        0.0254
BFGS:    9 17:29:02       -5.679046        0.0052
BFGS:   10 17:29:02       -5.679046        0.0008
BFGS:   11 17:29:02       -5.679046        0.0000
BFGS:   12 17:29:02       -5.679046        0.0000
BFGS:   13 17:29:02       -5.679046        0.0000
BFGS:   14 17:29:02       -5.679046        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5501831575502096e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.74975201894839, -3.4692668320576473e-35, 1.9993595947968195e-35], [3.653879260113722e-34, 2.74975201894839, 1.309867147552577e-17], [1.0170464233548087e-34, 1.35017375775367e-17, 2.7497520189727642]])
forces =  [[0. 0. 0.]]
stress =  [-2.55018316e-11 -2.55018316e-11 -1.23430879e-11  2.93607073e-27
  4.86700369e-46  6.48531598e-61]
energy per atom =  -5.679046474468188
===============================================
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.