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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:53:13      -18.609058         3.857716
BFGS:    1 15:53:13      -18.836144         1.300451
BFGS:    2 15:53:13      -18.854846         0.276140
BFGS:    3 15:53:13      -18.855814         0.015086
BFGS:    4 15:53:13      -18.855817         0.000190
BFGS:    5 15:53:13      -18.855817         0.000000
BFGS:    6 15:53:13      -18.855817         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.493841991166378e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.905808956037692, -2.3434648976312668e-32, 5.4339201684546864e-33], [-6.5681352953006425e-34, 2.905808956037692, -8.079225318524047e-21], [-1.0514599391421758e-33, -8.079225318567597e-21, 2.905808956037692]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.49384199e-14  8.49384199e-14  8.49384199e-14  1.03204242e-29
 -1.21648035e-33 -4.84887419e-50]
energy per atom =  -9.427908555293977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0