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 14:20:12     -143.923739        3.0604
BFGS:    1 14:20:12     -145.059177        1.1528
BFGS:    2 14:20:12     -145.364225        0.7072
BFGS:    3 14:20:12     -145.444480        0.6506
BFGS:    4 14:20:12     -145.693856        0.7378
BFGS:    5 14:20:12     -145.952858        0.9696
BFGS:    6 14:20:13     -146.180061        1.0606
BFGS:    7 14:20:13     -146.281505        0.8390
BFGS:    8 14:20:13     -146.345440        0.4261
BFGS:    9 14:20:13     -146.363688        0.0623
BFGS:   10 14:20:13     -146.363897        0.0528
BFGS:   11 14:20:13     -146.364438        0.0202
BFGS:   12 14:20:13     -146.364559        0.0093
BFGS:   13 14:20:13     -146.364582        0.0010
BFGS:   14 14:20:13     -146.364583        0.0002
BFGS:   15 14:20:13     -146.364583        0.0000
BFGS:   16 14:20:13     -146.364583        0.0000
BFGS:   17 14:20:13     -146.364583        0.0000
Minimization converged after 17 steps.
Maximum force component: 8.37018934813777e-10 eV/Angstrom
Maximum stress component: 1.6732460650986788e-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, 3.932532121193429e-32, -2.595205103574435e-32], [-3.273299014554129e-33, 5.156913572925357, 9.437331991075528e-18], [-3.6305814115249955e-32, 9.43733199107552e-18, 5.156913572925357]])
forces =  [[-8.37018935e-10 -8.37018935e-10 -8.37018935e-10]
 [ 8.37018935e-10  8.37018935e-10 -8.37018935e-10]
 [ 8.37018935e-10 -8.37018935e-10  8.37018935e-10]
 [-8.37018935e-10  8.37018935e-10  8.37018935e-10]
 [-8.37018935e-10 -8.37018935e-10  8.37018935e-10]
 [ 8.37018935e-10  8.37018935e-10  8.37018935e-10]
 [-8.37018935e-10  8.37018935e-10 -8.37018935e-10]
 [ 8.37018935e-10 -8.37018935e-10 -8.37018935e-10]
 [-1.69503646e-31  6.59418848e-10  6.59418848e-10]
 [-1.53612679e-31 -6.59418848e-10  6.59418848e-10]
 [ 8.47518231e-32  6.59418848e-10 -6.59418848e-10]
 [ 1.69503646e-31 -6.59418848e-10 -6.59418848e-10]
 [ 6.59418848e-10  1.20701378e-27  6.59418848e-10]
 [ 6.59418848e-10 -1.20671715e-27 -6.59418848e-10]
 [-6.59418848e-10  1.20684428e-27  6.59418848e-10]
 [-6.59418848e-10 -1.20650527e-27 -6.59418848e-10]
 [ 6.59418848e-10  6.59418848e-10  1.20659002e-27]
 [-6.59418848e-10  6.59418848e-10  1.20659002e-27]
 [ 6.59418848e-10 -6.59418848e-10 -1.20675953e-27]
 [-6.59418848e-10 -6.59418848e-10 -1.20659002e-27]]
stress =  [-1.67324607e-10 -1.67324607e-10 -1.67324607e-10  5.28495186e-26
 -3.70792329e-33  1.41187370e-48]
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