element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:00     -159.380164         2.578933
BFGS:    1 15:49:01     -159.767532         4.840161
BFGS:    2 15:49:01     -160.463921         4.119469
BFGS:    3 15:49:02     -161.081461         4.084928
BFGS:    4 15:49:02     -161.725995         4.261931
BFGS:    5 15:49:03     -162.347391         4.315600
BFGS:    6 15:49:03     -162.897874         4.337254
BFGS:    7 15:49:04     -163.329614         4.076564
BFGS:    8 15:49:04     -163.644508         3.328433
BFGS:    9 15:49:05     -163.914435         3.496980
BFGS:   10 15:49:05     -164.189212         3.306162
BFGS:   11 15:49:06     -164.382980         2.855350
BFGS:   12 15:49:06     -164.451074         2.331030
BFGS:   13 15:49:07     -164.466320         2.247059
BFGS:   14 15:49:07     -164.693946         1.820215
BFGS:   15 15:49:07     -164.620641         1.960339
BFGS:   16 15:49:08     -164.769956         0.735012
BFGS:   17 15:49:08     -164.826244         0.484148
BFGS:   18 15:49:09     -164.837740         0.268745
BFGS:   19 15:49:09     -164.838890         0.122812
BFGS:   20 15:49:10     -164.839075         0.049195
BFGS:   21 15:49:10     -164.839130         0.002536
BFGS:   22 15:49:10     -164.839131         0.000563
BFGS:   23 15:49:11     -164.839131         0.000037
BFGS:   24 15:49:11     -164.839131         0.000001
BFGS:   25 15:49:12     -164.839131         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.5062554436671308e-09 eV/Angstrom
Maximum stress component: 3.718663026419968e-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', 'C', 'C', 'C', 'C']
basis =  [[0.26871941 0.26871941 0.26871941]
 [0.73128059 0.73128059 0.26871941]
 [0.73128059 0.26871941 0.73128059]
 [0.26871941 0.73128059 0.73128059]
 [0.26871941 0.26871941 0.73128059]
 [0.73128059 0.73128059 0.73128059]
 [0.26871941 0.73128059 0.26871941]
 [0.73128059 0.26871941 0.26871941]
 [0.5        0.16078499 0.16078499]
 [0.5        0.83921501 0.16078499]
 [0.5        0.16078499 0.83921501]
 [0.5        0.83921501 0.83921501]
 [0.16078499 0.5        0.16078499]
 [0.16078499 0.5        0.83921501]
 [0.83921501 0.5        0.16078499]
 [0.83921501 0.5        0.83921501]
 [0.16078499 0.16078499 0.5       ]
 [0.83921501 0.16078499 0.5       ]
 [0.16078499 0.83921501 0.5       ]
 [0.83921501 0.83921501 0.5       ]]
cellpar =  Cell([[5.351245120433538, 2.8805426899645524e-32, -3.774696736502886e-33], [-1.0673121936035911e-32, 5.351245120433538, -3.3703044361922694e-18], [7.978663196926901e-33, -3.370304436192251e-18, 5.351245120433538]])
forces =  [[-1.50625544e-09 -1.50625544e-09 -1.50625544e-09]
 [ 1.50625544e-09  1.50625544e-09 -1.50625544e-09]
 [ 1.50625544e-09 -1.50625544e-09  1.50625544e-09]
 [-1.50625544e-09  1.50625544e-09  1.50625544e-09]
 [-1.50625544e-09 -1.50625544e-09  1.50625544e-09]
 [ 1.50625544e-09  1.50625544e-09  1.50625544e-09]
 [-1.50625544e-09  1.50625544e-09 -1.50625544e-09]
 [ 1.50625544e-09 -1.50625544e-09 -1.50625544e-09]
 [ 1.40712936e-30 -7.05487672e-10 -7.05487672e-10]
 [-1.05534702e-30  7.05487672e-10 -7.05487672e-10]
 [ 2.45897995e-42 -7.05487672e-10  7.05487672e-10]
 [-3.55227126e-43  7.05487672e-10  7.05487672e-10]
 [-7.05487672e-10  4.44328035e-28 -7.05487672e-10]
 [-7.05487672e-10 -4.45735165e-28  7.05487672e-10]
 [ 7.05487672e-10  4.44328035e-28 -7.05487672e-10]
 [ 7.05487672e-10 -4.42920906e-28  7.05487672e-10]
 [-7.05487672e-10 -7.05487672e-10  4.45031600e-28]
 [ 7.05487672e-10 -7.05487672e-10  4.43624470e-28]
 [-7.05487672e-10  7.05487672e-10 -4.45383382e-28]
 [ 7.05487672e-10  7.05487672e-10 -4.43624470e-28]]
stress =  [-3.71866303e-10 -3.71866303e-10 -3.71866303e-10 -1.74781214e-26
  6.88701062e-33  4.63155808e-49]
energy per atom =  -8.06721033218445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0