element(s):
['C']
AFLOW prototype label:
A_hR14_166_7c
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5219588', '17.242372', '0.017784926', '0.172604', '0.20814845', '0.26813059', '0.30367798', '0.41047725', '0.44657679']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.51778493]
 [0.         0.         0.672604  ]
 [0.         0.         0.70814845]
 [0.         0.         0.76813059]
 [0.         0.         0.80367798]
 [0.         0.         0.91047725]
 [0.         0.         0.94657679]]
spacegroup =  166
cell =  [[2.522, 0, 0], [-1.261, 2.1841160683444, 0], [0, 0, 43.4846]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:49:39     -325.668031        1.0078
BFGS:    1 15:49:39     -325.731667        0.9506
BFGS:    2 15:49:39     -325.815815        0.8657
BFGS:    3 15:49:39     -325.912557        0.7899
BFGS:    4 15:49:39     -326.011141        0.7526
BFGS:    5 15:49:39     -326.105814        0.7088
BFGS:    6 15:49:39     -326.194810        0.6532
BFGS:    7 15:49:39     -326.277599        0.5928
BFGS:    8 15:49:39     -326.353900        0.5296
BFGS:    9 15:49:39     -326.423359        0.4644
BFGS:   10 15:49:39     -326.485519        0.3976
BFGS:   11 15:49:39     -326.539835        0.3356
BFGS:   12 15:49:39     -326.585715        0.2751
BFGS:   13 15:49:39     -326.622535        0.2136
BFGS:   14 15:49:39     -326.649642        0.1513
BFGS:   15 15:49:39             nan           nan