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 15:45:20       -2.460861         2.556496
BFGS:    1 15:45:20       -2.658011         2.042104
BFGS:    2 15:45:20       -2.853852         1.383507
BFGS:    3 15:45:20       -2.969262         0.785025
BFGS:    4 15:45:20       -3.015377         0.247666
BFGS:    5 15:45:20       -3.017805         0.110593
BFGS:    6 15:45:20       -3.018136         0.083601
BFGS:    7 15:45:20       -3.019117         0.065357
BFGS:    8 15:45:20       -3.019538         0.033300
BFGS:    9 15:45:20       -3.019650         0.009026
BFGS:   10 15:45:20       -3.019657         0.001433
BFGS:   11 15:45:20       -3.019657         0.000048
BFGS:   12 15:45:20       -3.019657         0.000003
BFGS:   13 15:45:20       -3.019657         0.000000
BFGS:   14 15:45:20       -3.019657         0.000000
Minimization converged after 14 steps.
Maximum force component: 8.42802455382338e-53 eV/Angstrom
Maximum stress component: 3.5186311963957247e-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, -3.3630413380303397e-17, -4.349676700686643e-37], [-1.3083193509630835, 2.2660755883935995, 2.2377157641965264e-36], [9.363474307516193e-36, 2.876942663804422e-35, 4.272953107162026]])
forces =  [[-1.84686303e-88 -5.67451662e-88 -8.42802455e-53]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.76927609e-12 -3.76927609e-12 -3.51863120e-11 -1.20263126e-44
  9.46832767e-47  1.04396724e-27]
energy per atom =  -1.50982834738556
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0