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 12:50:00      -67.110872         4.541091
BFGS:    1 12:50:00      -67.396589         3.769686
BFGS:    2 12:50:00      -33.745022        18.375033
BFGS:    3 12:50:00      -35.850644        14.794759
BFGS:    4 12:50:00      -39.184174        13.060181
BFGS:    5 12:50:00      -42.378831        17.517367
BFGS:    6 12:50:00      -46.674489        13.072619
BFGS:    7 12:50:00      -48.568671         9.648425
BFGS:    8 12:50:00      -49.638659        10.800183
BFGS:    9 12:50:00      -76.280789         8.072797
BFGS:   10 12:50:00      -76.905157         7.960403
BFGS:   11 12:50:01      -77.558971         7.819539
BFGS:   12 12:50:01      -78.292518         9.331177
BFGS:   13 12:50:01      -79.259220        15.414064
BFGS:   14 12:50:01             nan              nan