element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:30      -48.186085         5.781734
BFGS:    1 16:29:30      -50.271527         5.205704
BFGS:    2 16:29:30      -54.193105        12.724044
BFGS:    3 16:29:30      -65.732073        18.558770
BFGS:    4 16:29:30      -75.993716        23.090019
BFGS:    5 16:29:30      -83.352387        12.087053
BFGS:    6 16:29:30      -84.475751        11.960841
BFGS:    7 16:29:30      -85.411602        11.808386
BFGS:    8 16:29:30       -3.948092        40.459576
BFGS:    9 16:29:30       -5.087408        41.081224
BFGS:   10 16:29:31             nan              nan