element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:03:46     -117.326203         0.259785
BFGS:    1 15:03:47     -117.329095         0.259782
BFGS:    2 15:03:47     -117.367965         0.257890
BFGS:    3 15:03:47     -117.406276         0.252296
BFGS:    4 15:03:47     -117.443465         0.242943
BFGS:    5 15:03:48     -117.478986         0.230123
BFGS:    6 15:03:48     -117.512348         0.214218
BFGS:    7 15:03:48     -117.543110         0.195497
BFGS:    8 15:03:49     -117.570867         0.174179
BFGS:    9 15:03:49     -117.595250         0.150586
BFGS:   10 15:03:49     -117.615954         0.125233
BFGS:   11 15:03:50     -117.632765         0.098787
BFGS:   12 15:03:50     -117.645572         0.071973
BFGS:   13 15:03:50     -117.654368         0.045287
BFGS:   14 15:03:50     -117.659187         0.019177
BFGS:   15 15:03:51     -117.660286         0.000923
BFGS:   16 15:03:51     -117.660289         0.000026
BFGS:   17 15:03:51     -117.660289         0.000000
BFGS:   18 15:03:51     -117.660289         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.269739871322338e-32 eV/Angstrom
Maximum stress component: 2.2847164691766274e-13 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']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.03190754157428, -6.957655064679029e-33, -2.9144743131201097e-33], [-7.141835391933733e-34, 5.03190754157428, 1.4122003639697353e-17], [7.435485248494273e-34, 1.4122003639697353e-17, 5.03190754157428]])
forces =  [[-2.58429371e-32 -2.06743497e-32 -8.26973987e-32]
 [ 2.32586434e-32  6.46073427e-33  1.80900560e-32]
 [ 3.61801119e-32  2.84272308e-32  1.03371748e-32]
 [-2.13204231e-32 -8.14052519e-32  7.75288113e-33]
 [ 3.87644056e-32 -5.68544616e-32  1.03371748e-32]
 [-2.00282763e-32 -1.80900560e-32 -3.87644056e-33]
 [-2.32586434e-32  1.29214685e-32  2.58429371e-32]
 [-2.84272308e-32  1.55057623e-32 -7.75288113e-32]
 [ 2.97193777e-32 -5.16858742e-32  3.48879651e-32]
 [-6.75305691e-66  2.06743497e-32 -2.58429371e-32]
 [ 1.74439825e-32  2.42277535e-32  4.82132295e-32]
 [ 3.23036714e-32  3.48879651e-32  5.42701679e-32]
 [-3.48879651e-32 -6.46073427e-33 -6.26691225e-32]
 [-3.48879651e-32 -3.61801119e-32  3.10115245e-32]
 [-8.19005959e-66  3.61801119e-32 -2.06743497e-32]
 [-3.10115245e-32  2.06743497e-32 -5.68544616e-32]]
stress =  [-2.28471647e-13 -2.28471647e-13 -2.28471647e-13  2.98906426e-29
  4.05670949e-35 -4.02789053e-51]
energy per atom =  0.008790425471402408
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0