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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 17:35:39     -143.923739         3.060449
BFGS:    1 17:35:40     -145.059177         1.152784
BFGS:    2 17:35:40     -145.364225         0.707247
BFGS:    3 17:35:40     -145.444480         0.650566
BFGS:    4 17:35:40     -145.693856         0.737784
BFGS:    5 17:35:41     -145.952858         0.969639
BFGS:    6 17:35:41     -146.180061         1.060594
BFGS:    7 17:35:41     -146.281505         0.839032
BFGS:    8 17:35:41     -146.345440         0.426084
BFGS:    9 17:35:42     -146.363688         0.062314
BFGS:   10 17:35:42     -146.363897         0.052798
BFGS:   11 17:35:42     -146.364438         0.020196
BFGS:   12 17:35:42     -146.364559         0.009331
BFGS:   13 17:35:43     -146.364582         0.001009
BFGS:   14 17:35:43     -146.364583         0.000178
BFGS:   15 17:35:43     -146.364583         0.000006
BFGS:   16 17:35:43     -146.364583         0.000000
BFGS:   17 17:35:44     -146.364583         0.000000
Minimization converged after 17 steps.
Maximum force component: 8.370282041390531e-10 eV/Angstrom
Maximum stress component: 1.6732326806570163e-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 =  [[0.28477103 0.28477103 0.28477103]
 [0.71522897 0.71522897 0.28477103]
 [0.71522897 0.28477103 0.71522897]
 [0.28477103 0.71522897 0.71522897]
 [0.28477103 0.28477103 0.71522897]
 [0.71522897 0.71522897 0.71522897]
 [0.28477103 0.71522897 0.28477103]
 [0.71522897 0.28477103 0.28477103]
 [0.5        0.16270883 0.16270883]
 [0.5        0.83729117 0.16270883]
 [0.5        0.16270883 0.83729117]
 [0.5        0.83729117 0.83729117]
 [0.16270883 0.5        0.16270883]
 [0.16270883 0.5        0.83729117]
 [0.83729117 0.5        0.16270883]
 [0.83729117 0.5        0.83729117]
 [0.16270883 0.16270883 0.5       ]
 [0.83729117 0.16270883 0.5       ]
 [0.16270883 0.83729117 0.5       ]
 [0.83729117 0.83729117 0.5       ]]
cellpar =  Cell([[5.156913572925357, 3.751775921157151e-32, -7.223427158322003e-33], [4.2572710906724376e-32, 5.156913572925357, 1.5148601645201682e-19], [6.242641594943635e-33, 1.5148601645202933e-19, 5.156913572925357]])
forces =  [[-8.37028204e-10 -8.37028204e-10 -8.37028204e-10]
 [ 8.37028204e-10  8.37028204e-10 -8.37028204e-10]
 [ 8.37028204e-10 -8.37028204e-10  8.37028204e-10]
 [-8.37028204e-10  8.37028204e-10  8.37028204e-10]
 [-8.37028204e-10 -8.37028204e-10  8.37028204e-10]
 [ 8.37028204e-10  8.37028204e-10  8.37028204e-10]
 [-8.37028204e-10  8.37028204e-10 -8.37028204e-10]
 [ 8.37028204e-10 -8.37028204e-10 -8.37028204e-10]
 [ 6.24185474e-42  6.59397173e-10  6.59397173e-10]
 [-5.08510939e-31 -6.59397173e-10  6.59397173e-10]
 [-1.58909668e-31  6.59397173e-10 -6.59397173e-10]
 [-8.47518231e-32 -6.59397173e-10 -6.59397173e-10]
 [ 6.59397173e-10  1.93700068e-29  6.59397173e-10]
 [ 6.59397173e-10 -1.98785177e-29 -6.59397173e-10]
 [-6.59397173e-10  1.92005031e-29  6.59397173e-10]
 [-6.59397173e-10 -1.95289165e-29 -6.59397173e-10]
 [ 6.59397173e-10  6.59397173e-10  1.95395104e-29]
 [-6.59397173e-10  6.59397173e-10  1.89594901e-29]
 [ 6.59397173e-10 -6.59397173e-10 -1.97090141e-29]
 [-6.59397173e-10 -6.59397173e-10 -1.93700068e-29]]
stress =  [-1.67323268e-10 -1.67323268e-10 -1.67323268e-10 -5.09787222e-28
 -9.88779544e-33 -3.27879220e-50]
energy per atom =  -6.024085295498182
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0