element(s):
['C', 'N']
AFLOW prototype label:
A3B4_cI28_220_a_c
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4491', '0.21602395']
model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N']
representative atom coordinates =  [[0.375      0.         0.25      ]
 [0.21602395 0.21602395 0.21602395]]
spacegroup =  220
cell =  [[5.4491, 0, 0], [0, 5.4491, 0], [0, 0, 5.4491]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:02:32     -152.386241        10.039154
BFGS:    1 10:02:33     -154.003130        10.114286
BFGS:    2 10:02:34     -155.675014        10.547514
BFGS:    3 10:02:37     -157.508836        11.925063
BFGS:    4 10:02:39     -159.691518        14.095170
BFGS:    5 10:02:40     -161.948818        11.005266
BFGS:    6 10:02:42     -163.018888         2.400024
BFGS:    7 10:02:43     -163.144432         1.061874
BFGS:    8 10:02:45     -163.290205         0.342678
BFGS:    9 10:02:48     -163.315552         0.595740
BFGS:   10 10:02:51     -163.325887         0.510618
BFGS:   11 10:02:54     -163.335335         0.139753
BFGS:   12 10:02:57     -163.336001         0.004045
BFGS:   13 10:02:59     -163.336011         0.000696
BFGS:   14 10:03:02     -163.336012         0.000010
BFGS:   15 10:03:05     -163.336012         0.000000
BFGS:   16 10:03:07     -163.336012         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.972293878903509e-11 eV/Angstrom
Maximum stress component: 2.1924698301837548e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[3.75000000e-01 1.11626931e-33 2.50000000e-01]
 [1.25000000e-01 8.37201981e-34 7.50000000e-01]
 [6.25000000e-01 5.00000000e-01 2.50000000e-01]
 [8.75000000e-01 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 3.75000000e-01 3.20927426e-33]
 [7.50000000e-01 1.25000000e-01 2.23253861e-33]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [1.63457492e-33 2.50000000e-01 3.75000000e-01]
 [0.00000000e+00 7.50000000e-01 1.25000000e-01]
 [5.00000000e-01 2.50000000e-01 6.25000000e-01]
 [5.00000000e-01 7.50000000e-01 8.75000000e-01]
 [2.15735232e-01 2.15735232e-01 2.15735232e-01]
 [2.84264768e-01 7.84264768e-01 7.15735232e-01]
 [7.84264768e-01 7.15735232e-01 2.84264768e-01]
 [7.15735232e-01 2.84264768e-01 7.84264768e-01]
 [4.65735232e-01 4.65735232e-01 4.65735232e-01]
 [3.42647679e-02 5.34264768e-01 9.65735232e-01]
 [9.65735232e-01 3.42647679e-02 5.34264768e-01]
 [5.34264768e-01 9.65735232e-01 3.42647679e-02]
 [7.15735232e-01 7.15735232e-01 7.15735232e-01]
 [7.84264768e-01 2.84264768e-01 2.15735232e-01]
 [2.84264768e-01 2.15735232e-01 7.84264768e-01]
 [2.15735232e-01 7.84264768e-01 2.84264768e-01]
 [9.65735232e-01 9.65735232e-01 9.65735232e-01]
 [5.34264768e-01 3.42647679e-02 4.65735232e-01]
 [4.65735232e-01 5.34264768e-01 3.42647679e-02]
 [3.42647679e-02 4.65735232e-01 5.34264768e-01]]
cellpar =  Cell([[5.521047457673995, 5.392550800635566e-33, -2.2319054565251674e-33], [-1.0523933737927398e-32, 5.521047457673995, -1.1431561795339432e-17], [2.1832162852480215e-33, -1.1431561795339445e-17, 5.521047457673995]])
forces =  [[ 9.07362187e-32 -7.25889749e-31  1.08883462e-30]
 [-4.53681093e-31 -6.35153531e-31 -3.62944875e-31]
 [-1.63325194e-30 -4.53681093e-31  9.39365853e-49]
 [ 3.62944875e-31 -3.62944875e-31  2.72208656e-31]
 [ 3.62944875e-31  9.39365853e-49 -4.53681093e-31]
 [-3.62944875e-31 -7.51492682e-49  3.62944875e-31]
 [-5.44417312e-31 -5.31746563e-64  2.20082870e-64]
 [ 3.62944875e-31  7.25889749e-31 -9.07362187e-32]
 [-9.07362187e-31  3.62944875e-31  7.25889749e-31]
 [-7.71257859e-31  9.07362187e-32  3.62944875e-31]
 [-7.03205695e-31 -4.53681093e-32 -5.89785421e-31]
 [-9.07362187e-32  3.62944875e-31  3.62944875e-31]
 [ 4.97229388e-11  4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11 -4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11  4.97229388e-11 -4.97229388e-11]
 [ 4.97229388e-11 -4.97229388e-11 -4.97229388e-11]
 [ 4.97229388e-11  4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11 -4.97229388e-11  4.97229388e-11]
 [ 4.97229388e-11 -4.97229388e-11 -4.97229388e-11]
 [-4.97229388e-11  4.97229388e-11 -4.97229388e-11]
 [ 4.97229388e-11  4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11 -4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11  4.97229388e-11 -4.97229388e-11]
 [ 4.97229388e-11 -4.97229388e-11 -4.97229388e-11]
 [ 4.97229388e-11  4.97229388e-11  4.97229388e-11]
 [-4.97229388e-11 -4.97229388e-11  4.97229388e-11]
 [ 4.97229388e-11 -4.97229388e-11 -4.97229388e-11]
 [-4.97229388e-11  4.97229388e-11 -4.97229388e-11]]
stress =  [-2.19246983e-11 -2.19246983e-11 -2.19246983e-11  2.54591024e-30
  4.31326581e-33 -1.77314758e-52]
energy per atom =  -5.729576756439539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0