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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 15:53:18       -8.398527         1.534839
BFGS:    1 15:53:18       -8.485665         1.095878
BFGS:    2 15:53:18       -8.559266         0.156423
BFGS:    3 15:53:18       -8.560629         0.010629
BFGS:    4 15:53:18       -8.560635         0.000057
BFGS:    5 15:53:18       -8.560635         0.000000
BFGS:    6 15:53:18       -8.560635         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2568615920808154e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.866745745951562, 1.070895421951636e-33, 1.8463653081611826e-33], [7.069959425251726e-34, 2.866745745951562, -1.1871688605950067e-19], [-3.4653775221231647e-34, -1.1871688605954624e-19, 2.866745745951562]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.25686159e-15  3.25686159e-15  3.25686159e-15  1.13930613e-30
 -6.24929267e-34 -1.11730440e-49]
energy per atom =  -4.280317524482393
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0