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:
MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
==== 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 13:58:09       -2.460861         2.556496
BFGS:    1 13:58:09       -2.658011         2.042104
BFGS:    2 13:58:09       -2.853852         1.383507
BFGS:    3 13:58:09       -2.969262         0.785025
BFGS:    4 13:58:09       -3.015377         0.247666
BFGS:    5 13:58:09       -3.017805         0.110593
BFGS:    6 13:58:09       -3.018136         0.083601
BFGS:    7 13:58:09       -3.019117         0.065357
BFGS:    8 13:58:09       -3.019538         0.033300
BFGS:    9 13:58:09       -3.019650         0.009026
BFGS:   10 13:58:09       -3.019657         0.001433
BFGS:   11 13:58:09       -3.019657         0.000048
BFGS:   12 13:58:09       -3.019657         0.000003
BFGS:   13 13:58:09       -3.019657         0.000000
BFGS:   14 13:58:09       -3.019657         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8621025416243866e-32 eV/Angstrom
Maximum stress component: 3.51858189307557e-11 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([[2.616638701926167, -3.345310637626042e-17, -2.0623869238370526e-37], [-1.3083193509630835, 2.2660755883935986, 3.405022525983971e-37], [1.8491476067154802e-36, -1.896321185263309e-36, 4.272953107162028]])
forces =  [[ 1.07508540e-32  1.86210254e-32  1.10328410e-69]
 [-1.07508540e-32 -1.86210254e-32 -1.10328410e-69]]
stress =  [-3.76939075e-12 -3.76939075e-12 -3.51858189e-11  5.30403888e-35
  9.18686482e-35 -1.41811804e-27]
energy per atom =  -1.509828347385561
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0