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_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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      -56.682526        1.5006
BFGS:    1 16:42:53      -56.745318        1.4395
BFGS:    2 16:42:53      -56.854289        1.3049
BFGS:    3 16:42:53      -56.939394        1.1730
BFGS:    4 16:42:53      -57.010669        1.0484
BFGS:    5 16:42:53      -57.071402        0.9319
BFGS:    6 16:42:53      -57.122555        0.8224
BFGS:    7 16:42:53      -57.164469        0.7174
BFGS:    8 16:42:53      -57.197596        0.6137
BFGS:    9 16:42:53      -57.222876        0.5080
BFGS:   10 16:42:53      -57.241917        0.4793
BFGS:   11 16:42:53      -57.257095        0.5056
BFGS:   12 16:42:53      -57.271397        0.4788
BFGS:   13 16:42:53      -57.287707        0.3980
BFGS:   14 16:42:53      -57.304682        0.2505
BFGS:   15 16:42:53      -57.311338        0.0633
BFGS:   16 16:42:53      -57.312091        0.0211
BFGS:   17 16:42:53      -57.312128        0.0193
BFGS:   18 16:42:53      -57.312145        0.0172
BFGS:   19 16:42:54      -57.312170        0.0134
BFGS:   20 16:42:54      -57.312202        0.0127
BFGS:   21 16:42:54      -57.312227        0.0114
BFGS:   22 16:42:54      -57.312235        0.0046
BFGS:   23 16:42:54      -57.312236        0.0007
BFGS:   24 16:42:54      -57.312236        0.0000
BFGS:   25 16:42:54      -57.312236        0.0000
BFGS:   26 16:42:54      -57.312236        0.0000
BFGS:   27 16:42:54      -57.312236        0.0000
BFGS:   28 16:42:54      -57.312236        0.0000
Minimization converged after 28 steps.
Maximum force component: 3.6044734523510433e-09 eV/Angstrom
Maximum stress component: 9.547483665561731e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.85400233e-01 3.31459890e-35 0.00000000e+00]
 [4.14599767e-01 0.00000000e+00 3.52262632e-36]
 [8.54002329e-02 5.00000000e-01 0.00000000e+00]
 [9.14599767e-01 5.00000000e-01 1.78675141e-36]
 [6.90489831e-01 1.11277071e-36 5.00000000e-01]
 [3.09510169e-01 0.00000000e+00 5.00000000e-01]
 [1.90489831e-01 5.00000000e-01 5.00000000e-01]
 [8.09510169e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.740128210880965, 6.010729664457602e-37, 0.0], [-9.95213590486625e-37, 2.485757873044827, 0.0], [0.0, 0.0, 2.4642817811789572]])
forces =  [[ 3.65050906e-10  2.83486559e-47  0.00000000e+00]
 [-3.65050906e-10 -9.57479104e-34  0.00000000e+00]
 [ 3.65050906e-10  2.83486559e-47  0.00000000e+00]
 [-3.65050906e-10 -2.92908210e-47  0.00000000e+00]
 [ 3.60447345e-09 -1.53196657e-31  0.00000000e+00]
 [-3.60447345e-09  6.12786627e-32  0.00000000e+00]
 [ 3.60447345e-09 -2.45114651e-31  0.00000000e+00]
 [-3.60447345e-09  2.45114651e-31  0.00000000e+00]]
stress =  [ 3.44405770e-10  9.54748367e-10 -5.57039272e-10  0.00000000e+00
  0.00000000e+00  9.84638111e-47]
energy per atom =  -7.164029487290846
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0