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_1959LowCutoff_Fe__MO_331285495617_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       -7.676862        0.9476
BFGS:    1 17:54:32       -7.711284        0.7447
BFGS:    2 17:54:32       -7.758058        0.1620
BFGS:    3 17:54:32       -7.759924        0.0203
BFGS:    4 17:54:32       -7.759955        0.0005
BFGS:    5 17:54:32       -7.759955        0.0000
BFGS:    6 17:54:32       -7.759955        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.762396329316896e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.88265024465558, -6.341854732298378e-33, 2.9700338819840926e-33], [-3.788426201866703e-34, 2.88265024465558, -1.3514195656101794e-18], [-2.7603181715669732e-33, -1.3514195656102332e-18, 2.88265024465558]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.76239633e-12  7.76239633e-12  7.76239633e-12 -7.37736780e-30
  5.94426485e-60  1.15225550e-61]
energy per atom =  -3.87997758528013
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0