element(s):
['C', 'N']
AFLOW prototype label:
A3B4_cP7_215_c_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4558', '0.25428553']
model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N']
representative atom coordinates =  [[0.         0.5        0.5       ]
 [0.25428553 0.25428553 0.25428553]]
spacegroup =  215
cell =  [[3.4558, 0, 0], [0, 3.4558, 0], [0, 0, 3.4558]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:31:14      -39.325157       12.5137
BFGS:    1 01:31:14      -40.450297        5.2995
BFGS:    2 01:31:14      -40.955625        4.0759
BFGS:    3 01:31:14      -41.125692        9.4851
BFGS:    4 01:31:14      -41.286024        2.0142
BFGS:    5 01:31:14      -41.325953        1.1875
BFGS:    6 01:31:14      -41.339705        0.0679
BFGS:    7 01:31:14      -41.339975        0.0881
BFGS:    8 01:31:14      -41.340053        0.0164
BFGS:    9 01:31:14      -41.340057        0.0005
BFGS:   10 01:31:14      -41.340057        0.0000
BFGS:   11 01:31:14      -41.340057        0.0000
BFGS:   12 01:31:14      -41.340057        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.5905200482494144e-11 eV/Angstrom
Maximum stress component: 1.2118786956988917e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.64311473e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.47704910e-35]
 [2.63781514e-01 2.63781514e-01 2.63781514e-01]
 [7.36218486e-01 7.36218486e-01 2.63781514e-01]
 [7.36218486e-01 2.63781514e-01 7.36218486e-01]
 [2.63781514e-01 7.36218486e-01 7.36218486e-01]]
cellpar =  Cell([[3.5163642092796916, -1.6276986100959423e-35, 2.7092614925408903e-33], [8.572270494077427e-33, 3.5163642092796916, 2.6356588777515395e-18], [-2.186809787216853e-33, 2.635658877751547e-18, 3.5163642092796916]])
forces =  [[ 4.62320376e-31  4.62320376e-31  3.46528041e-49]
 [ 8.39540052e-64  4.62320376e-31  4.62320376e-31]
 [ 4.62320376e-31  3.46528041e-49  4.62320376e-31]
 [-3.59052005e-11 -3.59052005e-11 -3.59052005e-11]
 [ 3.59052005e-11  3.59052005e-11 -3.59052005e-11]
 [ 3.59052005e-11 -3.59052005e-11  3.59052005e-11]
 [-3.59052005e-11  3.59052005e-11  3.59052005e-11]]
stress =  [-1.21187870e-11 -1.21187870e-11 -1.21187870e-11  4.22970627e-29
  2.12662775e-32 -2.24250321e-49]
energy per atom =  -5.801870173387324
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0