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 14:54:58       -7.267890        3.6569
BFGS:    1 14:54:58       -7.560914        2.2787
BFGS:    2 14:54:58       -7.723778        1.2795
BFGS:    3 14:54:58       -7.800356        0.3645
BFGS:    4 14:54:58       -7.805626        0.1122
BFGS:    5 14:54:58       -7.805902        0.0605
BFGS:    6 14:54:58       -7.806094        0.0491
BFGS:    7 14:54:58       -7.806281        0.0278
BFGS:    8 14:54:58       -7.806329        0.0084
BFGS:    9 14:54:58       -7.806334        0.0018
BFGS:   10 14:54:58       -7.806334        0.0001
BFGS:   11 14:54:58       -7.806334        0.0000
BFGS:   12 14:54:58       -7.806334        0.0000
BFGS:   13 14:54:58       -7.806334        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.160442505057457e-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([[2.5745660836950246, -3.1638801580681063e-17, 1.091244381273017e-35], [-1.2872830418475123, 2.2296396322017045, 2.9200658014789726e-35], [-3.576943853059365e-35, 2.1063366449715605e-35, 4.18741264178172]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.75405602e-11 -2.75405602e-11 -1.16044251e-10 -2.75041854e-33
 -1.90554586e-34  8.22336837e-27]
energy per atom =  -3.9031670392142943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0