element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/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:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:14      -57.499389         3.919328
BFGS:    1 15:51:14      -57.636721         4.697668
BFGS:    2 15:51:14      -57.872019         0.754341
BFGS:    3 15:51:14      -57.883161         0.610244
BFGS:    4 15:51:14      -57.894152         0.411536
BFGS:    5 15:51:14      -57.907331         0.519950
BFGS:    6 15:51:14      -57.918025         0.363790
BFGS:    7 15:51:14      -57.920351         0.096905
BFGS:    8 15:51:14      -57.920550         0.039395
BFGS:    9 15:51:14      -57.920586         0.035920
BFGS:   10 15:51:14      -57.920653         0.027457
BFGS:   11 15:51:14      -57.920702         0.023855
BFGS:   12 15:51:14      -57.920721         0.008447
BFGS:   13 15:51:14      -57.920725         0.006407
BFGS:   14 15:51:14      -57.920726         0.006035
BFGS:   15 15:51:14      -57.920728         0.005313
BFGS:   16 15:51:14      -57.920730         0.005088
BFGS:   17 15:51:14      -57.920731         0.002233
BFGS:   18 15:51:15      -57.920731         0.000363
BFGS:   19 15:51:15      -57.920731         0.000023
BFGS:   20 15:51:15      -57.920731         0.000002
BFGS:   21 15:51:15      -57.920731         0.000000
BFGS:   22 15:51:15      -57.920731         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.4133382352638207e-09 eV/Angstrom
Maximum stress component: 1.4025380097406564e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.83792426e-01 0.00000000e+00 0.00000000e+00]
 [4.16207574e-01 0.00000000e+00 6.46524763e-37]
 [8.37924256e-02 5.00000000e-01 2.18642021e-36]
 [9.16207574e-01 5.00000000e-01 0.00000000e+00]
 [6.93609942e-01 0.00000000e+00 5.00000000e-01]
 [3.06390058e-01 1.17020574e-35 5.00000000e-01]
 [1.93609942e-01 5.00000000e-01 5.00000000e-01]
 [8.06390058e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.687595272998381, -1.3368770809960165e-37, 0.0], [-6.55356241497098e-37, 2.6906459838220607, 0.0], [0.0, 0.0, 2.5243769792064756]])
forces =  [[-1.41333824e-09  3.31647723e-32  0.00000000e+00]
 [ 1.41333824e-09  3.83467680e-32  0.00000000e+00]
 [-1.41333824e-09  2.28007809e-32  0.00000000e+00]
 [ 1.41333824e-09  3.31647723e-32  0.00000000e+00]
 [-2.93596304e-10  1.32659089e-31  0.00000000e+00]
 [ 2.93596304e-10 -1.32659089e-31  1.24461394e-31]
 [-2.93596304e-10  2.65318178e-31  0.00000000e+00]
 [ 2.93596304e-10 -2.65318178e-31  1.24461394e-31]]
stress =  [ 1.40253801e-10 -3.68019198e-11  2.21596050e-11  0.00000000e+00
  0.00000000e+00 -9.53440007e-33]
energy per atom =  -7.240091419613763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0