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 12:49:56      -57.499389         3.919328
BFGS:    1 12:49:56      -57.636721         4.697668
BFGS:    2 12:49:57      -57.872019         0.754341
BFGS:    3 12:49:57      -57.883161         0.610244
BFGS:    4 12:49:58      -57.894152         0.411536
BFGS:    5 12:49:58      -57.907331         0.519950
BFGS:    6 12:49:59      -57.918025         0.363790
BFGS:    7 12:50:00      -57.920351         0.096905
BFGS:    8 12:50:00      -57.920550         0.039395
BFGS:    9 12:50:00      -57.920586         0.035920
BFGS:   10 12:50:01      -57.920653         0.027457
BFGS:   11 12:50:01      -57.920702         0.023855
BFGS:   12 12:50:02      -57.920721         0.008447
BFGS:   13 12:50:02      -57.920725         0.006407
BFGS:   14 12:50:03      -57.920726         0.006035
BFGS:   15 12:50:03      -57.920728         0.005313
BFGS:   16 12:50:04      -57.920730         0.005088
BFGS:   17 12:50:04      -57.920731         0.002233
BFGS:   18 12:50:05      -57.920731         0.000363
BFGS:   19 12:50:06      -57.920731         0.000023
BFGS:   20 12:50:06      -57.920731         0.000002
BFGS:   21 12:50:07      -57.920731         0.000000
BFGS:   22 12:50:08      -57.920731         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.413151757884059e-09 eV/Angstrom
Maximum stress component: 1.4024286675615567e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.83792426e-01 7.15163416e-35 0.00000000e+00]
 [4.16207574e-01 4.82417831e-35 0.00000000e+00]
 [8.37924256e-02 5.00000000e-01 0.00000000e+00]
 [9.16207574e-01 5.00000000e-01 2.90934852e-37]
 [6.93609942e-01 0.00000000e+00 5.00000000e-01]
 [3.06390058e-01 7.52499984e-36 5.00000000e-01]
 [1.93609942e-01 5.00000000e-01 5.00000000e-01]
 [8.06390058e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.6875952729983785, 2.5609673546816203e-36, 0.0], [-2.578840390136926e-37, 2.6906459838220607, 0.0], [0.0, 0.0, 2.5243769792064743]])
forces =  [[-1.41315176e-09 -1.86551844e-32  0.00000000e+00]
 [ 1.41315176e-09  4.70763014e-46 -1.24461394e-31]
 [-1.41315176e-09 -1.65823861e-32  0.00000000e+00]
 [ 1.41315176e-09 -1.65823861e-32 -2.48922789e-31]
 [-2.93475439e-10 -9.77654251e-47  0.00000000e+00]
 [ 2.93475439e-10  9.77654251e-47  0.00000000e+00]
 [-2.93475439e-10 -9.77654251e-47  0.00000000e+00]
 [ 2.93475439e-10  9.77654251e-47  0.00000000e+00]]
stress =  [ 1.40242867e-10 -3.68018554e-11  2.21542680e-11  0.00000000e+00
  0.00000000e+00  4.76720003e-33]
energy per atom =  -7.2400914196137585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0