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:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== 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 16:06:56       -7.970949         0.413042
BFGS:    1 16:06:56       -7.977868         0.368855
BFGS:    2 16:06:56       -8.008103         0.059248
BFGS:    3 16:06:56       -8.009057         0.007659
BFGS:    4 16:06:56       -8.009072         0.000290
BFGS:    5 16:06:56       -8.009072         0.000001
BFGS:    6 16:06:56       -8.009072         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9213347679248078e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8669657961569297, -4.272507802040714e-33, -5.240922974926629e-33], [-5.40162972666696e-33, 2.8669657961569297, -1.7290848826262327e-18], [-9.675771661879065e-34, -1.7290848826262814e-18, 2.8669657961569297]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.92133477e-11 1.92133477e-11 1.92133477e-11 3.15188876e-27
 1.56208335e-35 1.09583272e-51]
energy per atom =  -4.004536248891255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0