element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:58     -117.307867         7.843665
BFGS:    1 15:48:58     -119.210407         6.888605
BFGS:    2 15:48:59     -120.376951         6.878121
BFGS:    3 15:49:00     -121.465849         6.837531
BFGS:    4 15:49:00     -122.538983         6.931188
BFGS:    5 15:49:01     -123.619631         6.892434
BFGS:    6 15:49:01     -124.356899         5.746127
BFGS:    7 15:49:02     -125.276073         2.807056
BFGS:    8 15:49:02     -125.476326         1.972447
BFGS:    9 15:49:03     -125.516229         0.609819
BFGS:   10 15:49:04     -125.519006         0.015100
BFGS:   11 15:49:04     -125.519008         0.000537
BFGS:   12 15:49:05     -125.519008         0.000000
BFGS:   13 15:49:05     -125.519008         0.000000
BFGS:   14 15:49:06     -125.519008         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.104317489388187e-10 eV/Angstrom
Maximum stress component: 5.512900740991087e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.16239212 0.16239212 0.16239212]
 [0.83760788 0.83760788 0.16239212]
 [0.83760788 0.16239212 0.83760788]
 [0.16239212 0.83760788 0.83760788]
 [0.16239212 0.16239212 0.83760788]
 [0.83760788 0.83760788 0.83760788]
 [0.16239212 0.83760788 0.16239212]
 [0.83760788 0.16239212 0.16239212]
 [0.66239212 0.66239212 0.66239212]
 [0.33760788 0.33760788 0.66239212]
 [0.33760788 0.66239212 0.33760788]
 [0.66239212 0.33760788 0.33760788]
 [0.66239212 0.66239212 0.33760788]
 [0.33760788 0.33760788 0.33760788]
 [0.66239212 0.33760788 0.66239212]
 [0.33760788 0.66239212 0.66239212]]
cellpar =  Cell([[4.997478242650395, 1.4555351737767425e-33, -1.9921343790603376e-33], [5.640145607904141e-33, 4.997478242650395, 1.2422690994530165e-18], [1.8452375325687644e-33, 1.2422690994530102e-18, 4.997478242650395]])
forces =  [[-3.10431749e-10 -3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10  3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10 -3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10  3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10 -3.10431749e-10  3.10431749e-10]
 [ 3.10431749e-10  3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10  3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10 -3.10431749e-10 -3.10431749e-10]
 [-3.10431749e-10 -3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10  3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10 -3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10  3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10 -3.10431749e-10  3.10431749e-10]
 [ 3.10431749e-10  3.10431749e-10  3.10431749e-10]
 [-3.10431749e-10  3.10431749e-10 -3.10431749e-10]
 [ 3.10431749e-10 -3.10431749e-10 -3.10431749e-10]]
stress =  [-5.51290074e-10 -5.51290074e-10 -5.51290074e-10  3.36899682e-27
 -2.67238182e-59  8.96038044e-59]
energy per atom =  -7.670191786553671
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0