element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:16:32      -88.008659        1.4201
BFGS:    1 14:16:32      -88.063605        1.2885
BFGS:    2 14:16:32      -88.176537        0.9719
BFGS:    3 14:16:32      -88.258356        0.6662
BFGS:    4 14:16:32      -88.310135        0.3711
BFGS:    5 14:16:32      -88.332916        0.0862
BFGS:    6 14:16:32      -88.334249        0.0020
BFGS:    7 14:16:32      -88.334249        0.0006
BFGS:    8 14:16:32      -88.334249        0.0003
BFGS:    9 14:16:32      -88.334249        0.0000
BFGS:   10 14:16:32      -88.334249        0.0000
BFGS:   11 14:16:32      -88.334249        0.0000
BFGS:   12 14:16:32      -88.334249        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.1627429759500934e-10 eV/Angstrom
Maximum stress component: 3.940522861360999e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.79230791e-31 5.66336500e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.78002375e-31 2.20298478e-01]
 [1.00000000e+00 9.78217530e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.5161851077795556, 5.368119199056954e-18, 1.09244313221702e-37], [-1.2580925538897778, 2.1790802239611824, 3.098207747126121e-33], [2.979308251779626e-36, -2.6868454202482973e-30, 36.41689982030344]])
forces =  [[-2.20546674e-31  3.81998044e-31 -3.16274298e-10]
 [-2.20546674e-31  3.81998044e-31  3.16274298e-10]
 [-2.13654590e-31  3.81998044e-31 -3.16274298e-10]
 [-1.92978339e-31  3.81998044e-31  3.16274298e-10]
 [-1.65410005e-31  3.81998044e-31 -3.16274298e-10]
 [-2.20546674e-31  3.81998044e-31  3.16274298e-10]
 [-2.42601341e-30  1.14599413e-30 -3.16274298e-10]
 [ 1.65410005e-30 -1.14599413e-30  3.16274298e-10]
 [-2.20546674e-30  9.54995110e-31 -3.16274298e-10]
 [ 1.62653172e-30 -1.14599413e-30  3.16274298e-10]
 [-2.08140923e-30  1.14599413e-30 -3.16274298e-10]
 [ 1.54382671e-30 -1.14599413e-30  3.16274298e-10]]
stress =  [-3.94052286e-12 -3.94052286e-12  1.92651256e-22 -2.26439758e-43
  3.20691907e-49  8.47758818e-28]
energy per atom =  -7.361187457114759
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0