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 16:09:18       -8.281994         1.148271
BFGS:    1 16:09:18       -8.323249         0.629059
BFGS:    2 16:09:18       -8.350755         0.286849
BFGS:    3 16:09:18       -8.357237         0.032664
BFGS:    4 16:09:18       -8.357316         0.001442
BFGS:    5 16:09:18       -8.357316         0.000007
BFGS:    6 16:09:18       -8.357316         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.152203073089931e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.888645685488321, 3.286904296915536e-33, -8.721999105093904e-33], [-6.513876439745138e-33, 2.888645685488321, -9.300316465154783e-18], [9.743770893935902e-33, -9.300316465154845e-18, 2.888645685488321]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15220307e-10 -1.15220307e-10 -1.15220307e-10  1.34469075e-27
  1.96956648e-33 -1.59866035e-49]
energy per atom =  -4.178658196938471
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0