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:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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 15:56:36       -8.281994         1.148271
BFGS:    1 15:56:36       -8.323249         0.629059
BFGS:    2 15:56:36       -8.350755         0.286849
BFGS:    3 15:56:36       -8.357237         0.032664
BFGS:    4 15:56:36       -8.357316         0.001442
BFGS:    5 15:56:36       -8.357316         0.000007
BFGS:    6 15:56:36       -8.357316         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.152196363630171e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8886456854883216, 1.6487941939084164e-32, -1.5822833281245748e-32], [5.7537936284515245e-33, 2.8886456854883216, -9.300550051339551e-18], [1.5652464296710287e-33, -9.30055005133961e-18, 2.8886456854883216]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15219636e-10 -1.15219636e-10 -1.15219636e-10 -4.12530782e-26
  6.15489526e-35  1.05582049e-50]
energy per atom =  -4.178658196938472
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0