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:
MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_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 17:45:28       -0.474319         1.694877
BFGS:    1 17:45:28       -0.526666         0.562178
BFGS:    2 17:45:28       -0.539287         0.375281
BFGS:    3 17:45:28       -0.565224         0.640258
BFGS:    4 17:45:28       -0.681676         0.884653
BFGS:    5 17:45:28       -0.748298         0.327516
BFGS:    6 17:45:28       -0.753921         0.139082
BFGS:    7 17:45:28       -0.754250         0.095122
BFGS:    8 17:45:28       -0.754550         0.048988
BFGS:    9 17:45:28       -0.754824         0.029044
BFGS:   10 17:45:28       -0.754905         0.007791
BFGS:   11 17:45:28       -0.754914         0.002455
BFGS:   12 17:45:28       -0.754914         0.000230
BFGS:   13 17:45:28       -0.754914         0.000007
BFGS:   14 17:45:28       -0.754914         0.000000
BFGS:   15 17:45:28       -0.754914         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9119463660610514e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6166387017291757, 3.901733633962821e-34, -3.259491155201991e-36], [3.6995735069186787e-34, 2.6166387017291757, 1.330081872823285e-18], [-2.4810459176627752e-33, 1.22738145580252e-18, 2.6166387012339563]])
forces =  [[0. 0. 0.]]
stress =  [-5.27153880e-11 -5.27153880e-11 -1.91194637e-10  8.10955415e-26
  1.31303330e-43 -4.66695825e-59]
energy per atom =  -0.7549141736927802
===============================================
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.