element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:47:14      -20.434000         2.674101
BFGS:    1 17:47:14      -20.844863         2.220039
BFGS:    2 17:47:14      -21.147506         1.643597
BFGS:    3 17:47:14      -21.362981         1.378245
BFGS:    4 17:47:14      -21.544151         1.102645
BFGS:    5 17:47:14      -21.699366         1.057304
BFGS:    6 17:47:14      -21.831803         1.102651
BFGS:    7 17:47:14      -21.938814         0.988581
BFGS:    8 17:47:14      -22.009853         0.629543
BFGS:    9 17:47:14      -22.027955         0.246189
BFGS:   10 17:47:14      -22.033122         0.072127
BFGS:   11 17:47:14      -22.034098         0.004156
BFGS:   12 17:47:15      -22.034101         0.000241
BFGS:   13 17:47:15      -22.034101         0.000011
BFGS:   14 17:47:15      -22.034101         0.000000
BFGS:   15 17:47:15      -22.034101         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.026880730591878e-11 eV/Angstrom
Maximum stress component: 9.861365917027238e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 4.09679037e-85]
 [2.65520035e-01 2.65520035e-01 2.65520035e-01]
 [7.34479965e-01 7.34479965e-01 2.65520035e-01]
 [7.34479965e-01 2.65520035e-01 7.34479965e-01]
 [2.65520035e-01 7.34479965e-01 7.34479965e-01]]
cellpar =  Cell([[3.769456425664462, -2.212870372129784e-32, -3.944598849255825e-34], [5.115368218785099e-33, 3.769456425664462, 3.80573739323367e-18], [1.3329691600581429e-33, 3.8057373932336745e-18, 3.769456425664462]])
forces =  [[-4.38136358e-65 -1.25091560e-49 -1.23899034e-31]
 [ 6.02688073e-11  6.02688073e-11  6.02688073e-11]
 [-6.02688073e-11 -6.02688073e-11  6.02688073e-11]
 [-6.02688073e-11  6.02688073e-11 -6.02688073e-11]
 [ 6.02688073e-11 -6.02688073e-11 -6.02688073e-11]]
stress =  [ 9.86136592e-11  9.86136592e-11  9.86136592e-11 -1.05276543e-27
 -2.31329883e-33  2.07181223e-50]
energy per atom =  -4.406820262966042
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0