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:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== 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 17:54:05      -11.964519       10.3030
BFGS:    1 17:54:05      -13.266841        7.1630
BFGS:    2 17:54:05      -14.141555        4.5862
BFGS:    3 17:54:05      -14.666577        2.4872
BFGS:    4 17:54:05      -14.907601        0.7925
BFGS:    5 17:54:05      -14.939197        0.1203
BFGS:    6 17:54:05      -14.939997        0.0074
BFGS:    7 17:54:05      -14.940000        0.0001
BFGS:    8 17:54:05      -14.940000        0.0000
BFGS:    9 17:54:05      -14.940000        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9636594494275233e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.302443568839273, -7.208335098213372e-33, -1.5925254722130572e-33], [-7.59176694432828e-33, 3.302443568839273, -7.412461058258352e-20], [3.619678649789559e-34, -7.412461058264538e-20, 3.302443568839273]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96365945e-14 -1.96365945e-14 -1.96365945e-14 -2.79322436e-31
  2.35455268e-35  2.36057111e-52]
energy per atom =  -7.469999920689584
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0