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 10:57:35     -325.668031         1.007781
BFGS:    1 10:57:35     -325.731667         0.950606
BFGS:    2 10:57:35     -325.815815         0.865703
BFGS:    3 10:57:35     -325.912557         0.789886
BFGS:    4 10:57:35     -326.011141         0.752617
BFGS:    5 10:57:36     -326.105814         0.708803
BFGS:    6 10:57:36     -326.194810         0.653211
BFGS:    7 10:57:36     -326.277599         0.592791
BFGS:    8 10:57:36     -326.353900         0.529564
BFGS:    9 10:57:36     -326.423359         0.464404
BFGS:   10 10:57:36     -326.485519         0.397601
BFGS:   11 10:57:37     -326.539835         0.335617
BFGS:   12 10:57:37     -326.585715         0.275061
BFGS:   13 10:57:37     -326.622535         0.213595
BFGS:   14 10:57:37     -326.649642         0.151303
BFGS:   15 10:57:37             nan              nan