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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 18:18:00       -8.446077         1.093316
BFGS:    1 18:18:00       -8.492099         0.867709
BFGS:    2 18:18:00       -8.559999         0.001876
BFGS:    3 18:18:00       -8.559999         0.000264
BFGS:    4 18:18:00       -8.559999         0.000000
BFGS:    5 18:18:00       -8.559999         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9695398570072418e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.867570172415915, 2.682160344613361e-33, -4.960512018917522e-33], [1.1225925865110474e-33, 2.867570172415915, 1.6684362188928902e-20], [4.362684184960951e-35, 1.6684362188876297e-20, 2.8675701724159146]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96953986e-13 -1.96953986e-13 -1.96953986e-13 -1.28320053e-28
  9.99311975e-34  6.71211087e-49]
energy per atom =  -4.279999597184826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0