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 16:08:58      -88.008659         1.420091
BFGS:    1 16:08:58      -88.063605         1.288495
BFGS:    2 16:08:58      -88.176537         0.971946
BFGS:    3 16:08:58      -88.258356         0.666238
BFGS:    4 16:08:58      -88.310135         0.371085
BFGS:    5 16:08:58      -88.332916         0.086203
BFGS:    6 16:08:58      -88.334249         0.001980
BFGS:    7 16:08:58      -88.334249         0.000603
BFGS:    8 16:08:58      -88.334249         0.000293
BFGS:    9 16:08:58      -88.334249         0.000019
BFGS:   10 16:08:58      -88.334249         0.000002
BFGS:   11 16:08:59      -88.334249         0.000000
BFGS:   12 16:08:59      -88.334249         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.1627198882126557e-10 eV/Angstrom
Maximum stress component: 3.939957943733343e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.82226698e-31 5.61810560e-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 2.74150505e-31 2.20298478e-01]
 [1.00000000e+00 9.78474331e-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([[2.5161851077795574, -1.8789654231172133e-18, 1.0975549045271113e-37], [-1.2580925538897787, 2.1790802239611815, 3.098207732970804e-33], [6.909817357026431e-37, -2.686847849239038e-30, 36.41689982030344]])
forces =  [[ 1.54382671e-30 -1.14599413e-30 -3.16271989e-10]
 [-8.82186694e-31  3.81998044e-31  3.16271989e-10]
 [ 1.98492006e-30 -1.90999022e-30 -3.16271989e-10]
 [-1.15787004e-30  8.59495599e-31  3.16271989e-10]
 [ 1.10273337e-30 -1.14599413e-30 -3.16271989e-10]
 [-1.54382671e-30  1.90999022e-30  3.16271989e-10]
 [ 1.76437339e-30 -7.63996088e-31 -3.16271989e-10]
 [-2.20546674e-30  2.29198826e-30  3.16271989e-10]
 [ 6.61640021e-31  7.63996088e-31 -3.16271989e-10]
 [-1.87464673e-30  1.33699315e-30  3.16271989e-10]
 [ 2.04005673e-30  6.68496577e-31 -3.16271989e-10]
 [ 2.20546674e-31  1.14599413e-30  3.16271989e-10]]
stress =  [-3.93995794e-12 -3.93995794e-12  1.92750681e-22 -2.66581299e-43
  5.56792123e-44  1.22120491e-27]
energy per atom =  -7.361187457114767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0