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_ReaxFF_AnGoddard_2015_BC__SM_389039364091_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 16:42:52      -67.428946       10.8120
BFGS:    1 16:42:52      -68.023554        2.9238
BFGS:    2 16:42:52      -68.010128        4.3251
BFGS:    3 16:42:52      -68.110546        1.6411
BFGS:    4 16:42:52      -68.201190        0.4684
BFGS:    5 16:42:52      -68.204207        0.7423
BFGS:    6 16:42:52      -68.208492        0.2117
BFGS:    7 16:42:53      -68.209165        0.1712
BFGS:    8 16:42:53      -68.210778        0.1374
BFGS:    9 16:42:53      -68.211995        0.1960
BFGS:   10 16:42:53      -68.214325        0.2046
BFGS:   11 16:42:53      -68.215554        0.1155
BFGS:   12 16:42:53      -68.215980        0.0644
BFGS:   13 16:42:53      -68.216035        0.0250
BFGS:   14 16:42:53      -68.216052        0.0278
BFGS:   15 16:42:53      -68.216092        0.0398
BFGS:   16 16:42:53      -68.216146        0.0411
BFGS:   17 16:42:53      -68.216192        0.0272
BFGS:   18 16:42:53      -68.216206        0.0097
BFGS:   19 16:42:53      -68.216207        0.0012
BFGS:   20 16:42:53      -68.216207        0.0000
BFGS:   21 16:42:53      -68.216207        0.0000
BFGS:   22 16:42:53      -68.216207        0.0000
BFGS:   23 16:42:54      -68.216207        0.0000
BFGS:   24 16:42:54      -68.216207        0.0000
Minimization converged after 24 steps.
Maximum force component: 2.217744999707969e-09 eV/Angstrom
Maximum stress component: 2.710685791995162e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.87621935e-01 2.65066629e-35 0.00000000e+00]
 [4.12378065e-01 0.00000000e+00 0.00000000e+00]
 [8.76219346e-02 5.00000000e-01 0.00000000e+00]
 [9.12378065e-01 5.00000000e-01 0.00000000e+00]
 [6.89160330e-01 4.18680491e-35 5.00000000e-01]
 [3.10839670e-01 0.00000000e+00 5.00000000e-01]
 [1.89160330e-01 5.00000000e-01 5.00000000e-01]
 [8.10839670e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.928908953480304, -8.239456661207219e-37, 0.0], [3.8598360373073716e-38, 2.6815129269705538, 0.0], [0.0, 0.0, 2.5442361185673237]])
forces =  [[-2.21774500e-09  1.29110151e-34  0.00000000e+00]
 [ 2.21774500e-09  2.06576242e-33  0.00000000e+00]
 [-2.21774500e-09  2.30460634e-46  0.00000000e+00]
 [ 2.21774500e-09  1.54932181e-33 -1.56800657e-32]
 [-9.28365333e-10  9.64726165e-47  0.00000000e+00]
 [ 9.28365333e-10 -9.64726165e-47  0.00000000e+00]
 [-9.28365333e-10  9.64726165e-47  0.00000000e+00]
 [ 9.28365333e-10 -9.64726165e-47 -3.13601314e-32]]
stress =  [-1.98096002e-10 -2.03981188e-10 -2.71068579e-10  0.00000000e+00
  0.00000000e+00  4.63785451e-33]
energy per atom =  -8.352279714460371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0