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_001
==== 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 10:56:27       -1.593805        17.256836
BFGS:    1 10:56:28       -3.467302        11.134133
BFGS:    2 10:56:28       -4.680695         6.630254
BFGS:    3 10:56:28       -5.343450         3.410463
BFGS:    4 10:56:28       -5.631412         1.148400
BFGS:    5 10:56:28       -5.675846         0.293664
BFGS:    6 10:56:29       -5.678893         0.053105
BFGS:    7 10:56:29       -5.678999         0.041094
BFGS:    8 10:56:29       -5.679033         0.025375
BFGS:    9 10:56:29       -5.679046         0.005183
BFGS:   10 10:56:29       -5.679046         0.000804
BFGS:   11 10:56:30       -5.679046         0.000044
BFGS:   12 10:56:30       -5.679046         0.000003
BFGS:   13 10:56:30       -5.679046         0.000000
BFGS:   14 10:56:30       -5.679046         0.000000
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.