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 17:53:46      -18.609058        3.8577
BFGS:    1 17:53:46      -18.836144        1.3005
BFGS:    2 17:53:46      -18.854846        0.2761
BFGS:    3 17:53:47      -18.855814        0.0151
BFGS:    4 17:53:47      -18.855817        0.0002
BFGS:    5 17:53:47      -18.855817        0.0000
BFGS:    6 17:53:47      -18.855817        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.927025821095514e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9058089560376925, 8.674033701421189e-34, 5.906745386548704e-33], [-1.363828809510692e-33, 2.9058089560376925, 4.2979451667063177e-20], [9.29248282579627e-33, 4.2979451667015486e-20, 2.9058089560376925]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.92702582e-14  8.92702582e-14  8.92702582e-14  3.13633524e-29
 -1.94636856e-33 -6.83037979e-49]
energy per atom =  -9.427908555293975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0