element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:44:45      -67.110872        4.5411
BFGS:    1 16:44:45      -67.396589        3.7697
BFGS:    2 16:44:45      -33.745022       18.3750
BFGS:    3 16:44:45      -35.850644       14.7948
BFGS:    4 16:44:45      -39.184174       13.0602
BFGS:    5 16:44:45      -42.378831       17.5174
BFGS:    6 16:44:45      -46.674489       13.0726
BFGS:    7 16:44:45      -48.568671        9.6484
BFGS:    8 16:44:45      -49.638659       10.8002
BFGS:    9 16:44:45      -76.280789        8.0728
BFGS:   10 16:44:45      -76.905157        7.9604
BFGS:   11 16:44:45      -77.558971        7.8195
BFGS:   12 16:44:45      -78.292518        9.3312
BFGS:   13 16:44:45      -79.259220       15.4141
BFGS:   14 16:44:45             nan           nan