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_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== 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 10:33:40     -152.386241        10.039154
BFGS:    1 10:33:41     -154.003130        10.114286
BFGS:    2 10:33:42     -155.675014        10.547514
BFGS:    3 10:33:43     -157.508836        11.925063
BFGS:    4 10:33:44     -159.691518        14.095170
BFGS:    5 10:33:45     -161.948818        11.005266
BFGS:    6 10:33:46     -163.018888         2.400024
BFGS:    7 10:33:46     -163.144432         1.061874
BFGS:    8 10:33:47     -163.290205         0.342678
BFGS:    9 10:33:48     -163.315552         0.595740
BFGS:   10 10:33:48     -163.325887         0.510618
BFGS:   11 10:33:49     -163.335335         0.139753
BFGS:   12 10:33:50     -163.336001         0.004045
BFGS:   13 10:33:51     -163.336011         0.000696
BFGS:   14 10:33:52     -163.336012         0.000010
BFGS:   15 10:33:53     -163.336012         0.000000
BFGS:   16 10:33:54     -163.336012         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.9732732296510225e-11 eV/Angstrom
Maximum stress component: 2.1948512485829763e-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 6.64529072e-33 2.50000000e-01]
 [1.25000000e-01 8.33713639e-33 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 6.06971436e-33]
 [7.50000000e-01 1.25000000e-01 4.09880136e-34]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [5.89138302e-33 2.50000000e-01 3.75000000e-01]
 [1.30009883e-33 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, -6.0456895539837796e-34, -2.725651140988396e-35], [2.97430223365667e-33, 5.521047457673995, -2.2555465530295035e-18], [3.930479989140421e-35, -2.2555465530295027e-18, 5.521047457673995]])
forces =  [[ 3.28918793e-31 -1.81472437e-30 -9.07362187e-32]
 [-7.25889749e-31 -2.17766925e-30 -1.36104328e-30]
 [ 1.27030706e-30 -3.62944875e-31  1.48276041e-49]
 [ 5.44417312e-31  1.81472437e-30  7.25889749e-31]
 [-9.07362187e-31  7.25889749e-31 -1.81472437e-31]
 [ 2.31377358e-30 -1.42909544e-30  5.21733257e-31]
 [-1.08883462e-30 -1.45177950e-30  5.93104165e-49]
 [ 3.17576765e-30  7.25889749e-31 -1.81472437e-30]
 [-1.81472437e-30  5.44417312e-31 -2.54061412e-30]
 [ 7.25889749e-31  1.36104328e-30 -3.62944875e-31]
 [-1.81472437e-31 -1.08883462e-30 -1.08883462e-30]
 [-1.63325194e-30  2.31377358e-30 -3.99239362e-30]
 [ 4.97327323e-11  4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11 -4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11  4.97327323e-11 -4.97327323e-11]
 [ 4.97327323e-11 -4.97327323e-11 -4.97327323e-11]
 [ 4.97327323e-11  4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11 -4.97327323e-11  4.97327323e-11]
 [ 4.97327323e-11 -4.97327323e-11 -4.97327323e-11]
 [-4.97327323e-11  4.97327323e-11 -4.97327323e-11]
 [ 4.97327323e-11  4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11 -4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11  4.97327323e-11 -4.97327323e-11]
 [ 4.97327323e-11 -4.97327323e-11 -4.97327323e-11]
 [ 4.97327323e-11  4.97327323e-11  4.97327323e-11]
 [-4.97327323e-11 -4.97327323e-11  4.97327323e-11]
 [ 4.97327323e-11 -4.97327323e-11 -4.97327323e-11]
 [-4.97327323e-11  4.97327323e-11 -4.97327323e-11]]
stress =  [-2.19485125e-11 -2.19485125e-11 -2.19485125e-11  4.48570036e-29
  8.62653162e-33 -2.14361773e-50]
energy per atom =  -5.729576756439423
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0