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 10:42:02     -117.326203         0.259785
BFGS:    1 10:42:03     -117.329095         0.259782
BFGS:    2 10:42:03     -117.367965         0.257890
BFGS:    3 10:42:04     -117.406276         0.252296
BFGS:    4 10:42:04     -117.443465         0.242943
BFGS:    5 10:42:05     -117.478986         0.230123
BFGS:    6 10:42:05     -117.512348         0.214218
BFGS:    7 10:42:06     -117.543110         0.195497
BFGS:    8 10:42:06     -117.570867         0.174179
BFGS:    9 10:42:07     -117.595250         0.150586
BFGS:   10 10:42:07     -117.615954         0.125233
BFGS:   11 10:42:08     -117.632765         0.098787
BFGS:   12 10:42:08     -117.645572         0.071973
BFGS:   13 10:42:08     -117.654368         0.045287
BFGS:   14 10:42:10     -117.659187         0.019177
BFGS:   15 10:42:10     -117.660286         0.000923
BFGS:   16 10:42:11     -117.660289         0.000026
BFGS:   17 10:42:11     -117.660289         0.000000
BFGS:   18 10:42:12     -117.660289         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8865344081454087e-31 eV/Angstrom
Maximum stress component: 2.282319966790743e-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([[5.031907541574281, -7.2355545933863245e-34, -7.600595229751018e-34], [-2.016487831938168e-33, 5.031907541574281, 5.879212050454745e-18], [1.4009240520934246e-32, 5.879212050454741e-18, 5.031907541574281]])
forces =  [[-5.16858742e-33 -2.58429371e-33  5.42701679e-32]
 [ 4.65172868e-32  1.03371748e-32 -7.23602239e-32]
 [-1.03371748e-32  4.13486994e-32  6.71916365e-32]
 [ 1.03371748e-32 -5.16858742e-32  2.58429371e-32]
 [-1.29214685e-31 -8.26973987e-32  5.42701679e-32]
 [-1.39551860e-31 -8.78659861e-32  1.18877511e-31]
 [ 6.20230490e-32  1.03371748e-31 -1.03371748e-32]
 [ 7.75288113e-33  3.48879651e-32 -1.03371748e-32]
 [-1.03371748e-31 -7.23602239e-32  4.13486994e-32]
 [ 3.61801119e-32 -4.65172868e-32  2.32586434e-32]
 [ 3.10115245e-32  1.03371748e-32 -7.23602239e-32]
 [-2.58429371e-32  1.55057623e-32 -2.06743497e-32]
 [ 8.62295523e-65  3.61801119e-32  3.61801119e-32]
 [ 1.08540336e-31 -4.13486994e-32 -7.23602239e-32]
 [ 1.88653441e-31  6.03890695e-50  5.16858742e-32]
 [-7.39110449e-65 -3.10115245e-32 -3.10115245e-32]]
stress =  [-2.28231997e-13 -2.28231997e-13 -2.28231997e-13 -1.03604425e-28
 -4.05670949e-35 -9.08505627e-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