element(s):
['C']
AFLOW prototype label:
A_hR10_166_5c
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.520284', '12.343259', '0.02482583', '0.10867917', '0.15836583', '0.37486231', '0.42531454']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.52482583]
 [0.         0.         0.60867917]
 [0.         0.         0.65836583]
 [0.         0.         0.87486231]
 [0.         0.         0.92531454]]
spacegroup =  166
cell =  [[2.5203, 0, 0], [-1.26015, 2.1826438251579, 0], [0, 0, 31.1085]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:45     -232.600770        1.0499
BFGS:    1 15:46:45     -232.665629        0.9694
BFGS:    2 15:46:45     -232.741882        0.8602
BFGS:    3 15:46:45     -232.832396        0.7636
BFGS:    4 15:46:45     -232.924279        0.7407
BFGS:    5 15:46:45     -233.011956        0.6981
BFGS:    6 15:46:46     -233.092552        0.6240
BFGS:    7 15:46:46     -233.163694        0.5278
BFGS:    8 15:46:46     -233.223637        0.4182
BFGS:    9 15:46:46     -233.271263        0.3031
BFGS:   10 15:46:47     -233.305833        0.2134
BFGS:   11 15:46:47             nan           nan