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_LCBOP_LosFasolino_2003_C__SM_469631949122_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 16:42:53      -54.365673        2.7786
BFGS:    1 16:42:53      -54.667880        2.1674
BFGS:    2 16:42:53      -54.727253        1.8926
BFGS:    3 16:42:53      -54.813571        0.8301
BFGS:    4 16:42:53      -54.832395        0.8108
BFGS:    5 16:42:53      -54.882217        0.6677
BFGS:    6 16:42:53      -54.915015        0.4938
BFGS:    7 16:42:53      -54.932610        0.3071
BFGS:    8 16:42:53      -54.938088        0.3106
BFGS:    9 16:42:53      -54.940642        0.3235
BFGS:   10 16:42:53      -54.947764        0.2638
BFGS:   11 16:42:53      -54.951610        0.1485
BFGS:   12 16:42:53      -54.953189        0.0656
BFGS:   13 16:42:53      -54.953376        0.0406
BFGS:   14 16:42:53      -54.953411        0.0367
BFGS:   15 16:42:53      -54.953465        0.0261
BFGS:   16 16:42:53      -54.953519        0.0231
BFGS:   17 16:42:53      -54.953545        0.0113
BFGS:   18 16:42:53      -54.953550        0.0021
BFGS:   19 16:42:53      -54.953550        0.0002
BFGS:   20 16:42:53      -54.953550        0.0000
BFGS:   21 16:42:53      -54.953550        0.0000
BFGS:   22 16:42:53      -54.953550        0.0000
BFGS:   23 16:42:53      -54.953550        0.0000
BFGS:   24 16:42:53      -54.953550        0.0000
Minimization converged after 24 steps.
Maximum force component: 3.0346219209373423e-09 eV/Angstrom
Maximum stress component: 2.5492500451162843e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.89096524e-01 0.00000000e+00 4.16782233e-36]
 [4.10903476e-01 3.76164183e-36 0.00000000e+00]
 [8.90965237e-02 5.00000000e-01 5.36094910e-36]
 [9.10903476e-01 5.00000000e-01 0.00000000e+00]
 [6.93264824e-01 0.00000000e+00 5.00000000e-01]
 [3.06735176e-01 6.34766954e-36 5.00000000e-01]
 [1.93264824e-01 5.00000000e-01 5.00000000e-01]
 [8.06735176e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.9182658237198025, 1.8494877345227944e-36, 0.0], [-4.1546584706148305e-37, 2.5995483608015713, 0.0], [0.0, 0.0, 2.535393694600276]])
forces =  [[-2.13483737e-09 -2.00261921e-33  0.00000000e+00]
 [ 2.13483737e-09  2.50327401e-33  0.00000000e+00]
 [-2.13483737e-09 -4.00523842e-33  0.00000000e+00]
 [ 2.13483737e-09  3.48038205e-33  0.00000000e+00]
 [ 3.03462192e-09  3.84502889e-31  0.00000000e+00]
 [-3.03462192e-09  4.48586703e-31  0.00000000e+00]
 [ 3.03462192e-09  3.84502889e-31 -6.25022802e-32]
 [-3.03462192e-09  3.84502889e-31  0.00000000e+00]]
stress =  [-1.03514661e-11 -2.54925005e-10  7.18606943e-11  0.00000000e+00
  0.00000000e+00  2.73682786e-48]
energy per atom =  -6.869193729049509
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0