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_AcklandBaconCalder_1997_Fe__MO_142799717516_005
==== 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 17:51:51       -8.501886        1.2693
BFGS:    1 17:51:51       -8.562219        0.9458
BFGS:    2 17:51:51       -8.631887        0.0399
BFGS:    3 17:51:51       -8.632000        0.0029
BFGS:    4 17:51:51       -8.632000        0.0000
BFGS:    5 17:51:51       -8.632000        0.0000
BFGS:    6 17:51:51       -8.632000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.675123711468108e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.866499964469572, 6.538729045700176e-33, 7.650739963803659e-33], [1.3617758810862647e-32, 2.866499964469572, -1.544051440228388e-19], [1.1639188078544242e-32, -1.5440514402289137e-19, 2.866499964469572]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.67512371e-15  4.67512371e-15  4.67512371e-15 -5.76512769e-32
  2.50014575e-34 -1.48164679e-50]
energy per atom =  -4.316000049480642
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0