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 15:54:15     -232.600770         1.049944
BFGS:    1 15:54:15     -232.665629         0.969444
BFGS:    2 15:54:15     -232.741882         0.860154
BFGS:    3 15:54:15     -232.832396         0.763557
BFGS:    4 15:54:16     -232.924279         0.740708
BFGS:    5 15:54:16     -233.011956         0.698106
BFGS:    6 15:54:16     -233.092552         0.623993
BFGS:    7 15:54:16     -233.163694         0.527824
BFGS:    8 15:54:16     -233.223637         0.418162
BFGS:    9 15:54:16     -233.271263         0.303069
BFGS:   10 15:54:17     -233.305833         0.213406
BFGS:   11 15:54:17             nan              nan