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 16:41:15     -117.326203        0.2598
BFGS:    1 16:41:16     -117.329095        0.2598
BFGS:    2 16:41:16     -117.367965        0.2579
BFGS:    3 16:41:16     -117.406276        0.2523
BFGS:    4 16:41:17     -117.443465        0.2429
BFGS:    5 16:41:17     -117.478986        0.2301
BFGS:    6 16:41:17     -117.512348        0.2142
BFGS:    7 16:41:17     -117.543110        0.1955
BFGS:    8 16:41:18     -117.570867        0.1742
BFGS:    9 16:41:18     -117.595250        0.1506
BFGS:   10 16:41:18     -117.615954        0.1252
BFGS:   11 16:41:19     -117.632765        0.0988
BFGS:   12 16:41:19     -117.645572        0.0720
BFGS:   13 16:41:19     -117.654368        0.0453
BFGS:   14 16:41:20     -117.659187        0.0192
BFGS:   15 16:41:20     -117.660286        0.0009
BFGS:   16 16:41:20     -117.660289        0.0000
BFGS:   17 16:41:20     -117.660289        0.0000
BFGS:   18 16:41:21     -117.660289        0.0000
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