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 10:33:41      -39.325157        12.513679
BFGS:    1 10:33:41      -40.450297         5.299453
BFGS:    2 10:33:42      -40.955625         4.075898
BFGS:    3 10:33:42      -41.125692         9.485091
BFGS:    4 10:33:42      -41.286024         2.014152
BFGS:    5 10:33:42      -41.325953         1.187527
BFGS:    6 10:33:42      -41.339705         0.067927
BFGS:    7 10:33:43      -41.339975         0.088117
BFGS:    8 10:33:43      -41.340053         0.016351
BFGS:    9 10:33:43      -41.340057         0.000483
BFGS:   10 10:33:44      -41.340057         0.000011
BFGS:   11 10:33:44      -41.340057         0.000000
BFGS:   12 10:33:44      -41.340057         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.577438889125919e-11 eV/Angstrom
Maximum stress component: 1.21121417344496e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.         0.5        0.5       ]
 [0.5        0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.26378151 0.26378151 0.26378151]
 [0.73621849 0.73621849 0.26378151]
 [0.73621849 0.26378151 0.73621849]
 [0.26378151 0.73621849 0.73621849]]
cellpar =  Cell([[3.516364209279688, 9.916424171963522e-33, 5.064344615195006e-33], [4.6901311039121874e-33, 3.516364209279688, 2.191976946856035e-18], [-1.004422454542977e-33, 2.1919769468560386e-18, 3.516364209279688]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.57743889e-11 -3.57743889e-11 -3.57743889e-11]
 [ 3.57743889e-11  3.57743889e-11 -3.57743889e-11]
 [ 3.57743889e-11 -3.57743889e-11  3.57743889e-11]
 [-3.57743889e-11  3.57743889e-11  3.57743889e-11]]
stress =  [-1.21121417e-11 -1.21121417e-11 -1.21121417e-11 -7.84366451e-28
 -4.15356983e-33 -3.59161105e-49]
energy per atom =  -5.801870173387355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0