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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
==== 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 17:54:32       -8.149084        1.0765
BFGS:    1 17:54:32       -8.193728        0.8553
BFGS:    2 17:54:32       -8.260826        0.0143
BFGS:    3 17:54:32       -8.260841        0.0024
BFGS:    4 17:54:32       -8.260841        0.0000
BFGS:    5 17:54:32       -8.260841        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3878999012403933e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.868830235771242, 5.694572218971027e-35, 3.907562963401766e-33], [-2.8662943392890448e-33, 2.868830235771242, 5.562273313502693e-20], [1.007367365669611e-33, 5.562273313498564e-20, 2.868830235771242]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.38789990e-10 -1.38789990e-10 -1.38789990e-10  7.58537274e-28
 -6.24021451e-35 -4.54600249e-52]
energy per atom =  -4.130420746562618
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0