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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:41:44       -0.360385        59.534616
BFGS:    1 17:41:45       -4.708308        21.525700
BFGS:    2 17:41:45       -5.235144        20.593675
BFGS:    3 17:41:45       -6.376303         4.305667
BFGS:    4 17:41:45       -6.462033         1.839199
BFGS:    5 17:41:45       -6.484639         0.343407
BFGS:    6 17:41:45       -6.485517         0.040396
BFGS:    7 17:41:45       -6.485529         0.014172
BFGS:    8 17:41:45       -6.485529         0.006627
BFGS:    9 17:41:45       -6.485529         0.000306
BFGS:   10 17:41:45       -6.485529         0.000037
BFGS:   11 17:41:45       -6.485529         0.000001
BFGS:   12 17:41:45       -6.485529         0.000000
BFGS:   13 17:41:45       -6.485529         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.107868870588139e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.5132075875733113, -1.5773773167078052e-33, -1.5541199236174894e-36], [-5.407005292421614e-34, 2.5132075875733113, 9.586438214391294e-19], [-3.4419518254801134e-33, 9.663114991840952e-19, 2.513207587566471]])
forces =  [[0. 0. 0.]]
stress =  [ 1.98389556e-12  1.98389556e-12 -3.10786887e-11  4.77862961e-27
  4.52807093e-44 -6.73464152e-60]
energy per atom =  -6.485529450596526
===============================================
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.