element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:58:11       -7.267890         3.656906
BFGS:    1 13:58:11       -7.560914         2.278702
BFGS:    2 13:58:11       -7.723778         1.279506
BFGS:    3 13:58:11       -7.800356         0.364459
BFGS:    4 13:58:11       -7.805626         0.112155
BFGS:    5 13:58:11       -7.805902         0.060500
BFGS:    6 13:58:11       -7.806094         0.049134
BFGS:    7 13:58:11       -7.806281         0.027827
BFGS:    8 13:58:11       -7.806329         0.008419
BFGS:    9 13:58:11       -7.806334         0.001806
BFGS:   10 13:58:11       -7.806334         0.000112
BFGS:   11 13:58:11       -7.806334         0.000005
BFGS:   12 13:58:11       -7.806334         0.000000
BFGS:   13 13:58:11       -7.806334         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.173397705210893e-32 eV/Angstrom
Maximum stress component: 1.1604435211854877e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5745660836950237, -3.075940316283639e-17, -9.394607693126532e-37], [-1.2872830418475119, 2.229639632201704, -8.481227764786016e-36], [5.9950348487257155e-36, 1.999256283405129e-36, 4.18741264178172]])
forces =  [[-3.17339771e-32  1.83216202e-32 -6.19729702e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.75415429e-11 -2.75415429e-11 -1.16044352e-10 -1.10016742e-34
  1.59029035e-45  2.43633580e-27]
energy per atom =  -3.903167039214294
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0