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 14:18:55     -159.380164        2.5789
BFGS:    1 14:18:55     -159.767532        4.8402
BFGS:    2 14:18:55     -160.463921        4.1195
BFGS:    3 14:18:55     -161.081461        4.0849
BFGS:    4 14:18:55     -161.725995        4.2619
BFGS:    5 14:18:56     -162.347391        4.3156
BFGS:    6 14:18:56     -162.897874        4.3373
BFGS:    7 14:18:56     -163.329614        4.0766
BFGS:    8 14:18:56     -163.644508        3.3284
BFGS:    9 14:18:56     -163.914435        3.4970
BFGS:   10 14:18:56     -164.189212        3.3062
BFGS:   11 14:18:56     -164.382980        2.8554
BFGS:   12 14:18:56     -164.451074        2.3310
BFGS:   13 14:18:56     -164.466320        2.2471
BFGS:   14 14:18:56     -164.693946        1.8202
BFGS:   15 14:18:56     -164.620641        1.9603
BFGS:   16 14:18:56     -164.769956        0.7350
BFGS:   17 14:18:56     -164.826244        0.4841
BFGS:   18 14:18:57     -164.837740        0.2687
BFGS:   19 14:18:57     -164.838890        0.1228
BFGS:   20 14:18:57     -164.839075        0.0492
BFGS:   21 14:18:57     -164.839130        0.0025
BFGS:   22 14:18:57     -164.839131        0.0006
BFGS:   23 14:18:57     -164.839131        0.0000
BFGS:   24 14:18:57     -164.839131        0.0000
BFGS:   25 14:18:57     -164.839131        0.0000
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