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 15:51:13      -56.682526         1.500558
BFGS:    1 15:51:13      -56.745318         1.439504
BFGS:    2 15:51:13      -56.854289         1.304869
BFGS:    3 15:51:13      -56.939394         1.173041
BFGS:    4 15:51:13      -57.010669         1.048391
BFGS:    5 15:51:13      -57.071402         0.931930
BFGS:    6 15:51:13      -57.122555         0.822442
BFGS:    7 15:51:13      -57.164469         0.717443
BFGS:    8 15:51:13      -57.197596         0.613744
BFGS:    9 15:51:13      -57.222876         0.508009
BFGS:   10 15:51:13      -57.241917         0.479273
BFGS:   11 15:51:13      -57.257095         0.505625
BFGS:   12 15:51:13      -57.271397         0.478799
BFGS:   13 15:51:13      -57.287707         0.398004
BFGS:   14 15:51:13      -57.304682         0.250528
BFGS:   15 15:51:13      -57.311338         0.063280
BFGS:   16 15:51:13      -57.312091         0.021073
BFGS:   17 15:51:13      -57.312128         0.019328
BFGS:   18 15:51:13      -57.312145         0.017203
BFGS:   19 15:51:13      -57.312170         0.013435
BFGS:   20 15:51:14      -57.312202         0.012703
BFGS:   21 15:51:14      -57.312227         0.011449
BFGS:   22 15:51:14      -57.312235         0.004588
BFGS:   23 15:51:14      -57.312236         0.000742
BFGS:   24 15:51:14      -57.312236         0.000050
BFGS:   25 15:51:14      -57.312236         0.000007
BFGS:   26 15:51:14      -57.312236         0.000002
BFGS:   27 15:51:14      -57.312236         0.000000
BFGS:   28 15:51:14      -57.312236         0.000000
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 7.39221530e-52 0.00000000e+00]
 [4.14599767e-01 1.88079096e-37 2.67723744e-36]
 [8.54002329e-02 5.00000000e-01 0.00000000e+00]
 [9.14599767e-01 5.00000000e-01 1.88373544e-36]
 [6.90489831e-01 0.00000000e+00 5.00000000e-01]
 [3.09510169e-01 1.11671963e-36 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, 6.900428213615091e-37, 0.0], [3.0034639537759995e-37, 2.485757873044827, 0.0], [0.0, 0.0, 2.4642817811789572]])
forces =  [[ 3.65050906e-10  3.25447784e-47  0.00000000e+00]
 [-3.65050906e-10 -9.57479104e-34  0.00000000e+00]
 [ 3.65050906e-10  3.25447784e-47  0.00000000e+00]
 [-3.65050906e-10 -3.22604415e-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 -5.12511327e-33]
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