element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:54:30       -2.969726        0.9490
BFGS:    1 17:54:30       -3.005016        0.7849
BFGS:    2 17:54:30       -3.073254        0.1055
BFGS:    3 17:54:30       -3.074367        0.0105
BFGS:    4 17:54:30       -3.074378        0.0001
BFGS:    5 17:54:30       -3.074378        0.0000
BFGS:    6 17:54:30       -3.074378        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2016126125442643e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.85999982132969, 1.932432582112584e-33, -1.1952007471382019e-33], [-2.058914638184423e-33, 2.85999982132969, -9.031549122417585e-20], [-1.9906105860280125e-33, -9.03154912242242e-20, 2.85999982132969]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.20161261e-13 -1.20161261e-13 -1.20161261e-13  2.84579790e-29
 -7.84851005e-36  9.20118757e-52]
energy per atom =  -1.5371890073088874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0