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 16:42:07       -1.593805        17.256836
BFGS:    1 16:42:07       -3.467302        11.134133
BFGS:    2 16:42:07       -4.680695         6.630254
BFGS:    3 16:42:07       -5.343450         3.410463
BFGS:    4 16:42:07       -5.631412         1.148400
BFGS:    5 16:42:07       -5.675846         0.293664
BFGS:    6 16:42:07       -5.678893         0.053105
BFGS:    7 16:42:07       -5.678999         0.041094
BFGS:    8 16:42:07       -5.679033         0.025375
BFGS:    9 16:42:07       -5.679046         0.005183
BFGS:   10 16:42:07       -5.679046         0.000804
BFGS:   11 16:42:07       -5.679046         0.000044
BFGS:   12 16:42:07       -5.679046         0.000003
BFGS:   13 16:42:07       -5.679046         0.000000
BFGS:   14 16:42:07       -5.679046         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5501603296607904e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7497520189483904, -3.369715119258322e-35, -2.216872305981435e-33], [3.6547881901882142e-34, 2.7497520189483904, 1.2809438400193362e-17], [6.826202360184011e-33, 1.3211787620123408e-17, 2.7497520189727633]])
forces =  [[0. 0. 0.]]
stress =  [-2.55016033e-11 -2.55016033e-11 -1.23435231e-11 -1.33568390e-27
 -1.75116121e-35  6.92049314e-52]
energy per atom =  -5.679046474468189
===============================================
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.