element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:24       -7.808095        15.801864
BFGS:    1 17:10:24      -36.853696        18.034839
BFGS:    2 17:10:24      -43.838456        15.860660
BFGS:    3 17:10:24      -51.736425        19.227495
BFGS:    4 17:10:24      -64.776553        19.579271
BFGS:    5 17:10:24      -73.483329        22.888343
BFGS:    6 17:10:24      -87.942681        20.747924
BFGS:    7 17:10:24      -96.484948        23.300433
BFGS:    8 17:10:24      -98.828973        21.893673
BFGS:    9 17:10:24      -71.551928        25.482922
BFGS:   10 17:10:24      -75.814090        20.621084
BFGS:   11 17:10:24      -79.016217        17.235387
BFGS:   12 17:10:24     -121.246471        18.293444
BFGS:   13 17:10:24     -114.119226        12.567986
BFGS:   14 17:10:24     -115.803495        11.557464
BFGS:   15 17:10:24     -116.973436        10.800636
BFGS:   16 17:10:24     -117.911043        10.112963
BFGS:   17 17:10:24     -127.186252        10.630706
BFGS:   18 17:10:25     -127.954868         9.787009
BFGS:   19 17:10:25     -131.355546         8.856493
BFGS:   20 17:10:25     -131.934564         8.576703
BFGS:   21 17:10:25     -132.512374         8.530498
BFGS:   22 17:10:25     -133.093891         8.466723
BFGS:   23 17:10:25     -133.680956         8.386955
BFGS:   24 17:10:25     -134.264380         8.293324
BFGS:   25 17:10:25     -134.816703         8.191673
BFGS:   26 17:10:25     -135.342574         8.082950
BFGS:   27 17:10:25     -135.845113         7.967843
BFGS:   28 17:10:25     -136.326541         7.846887
BFGS:   29 17:10:25     -136.788525         7.720524
BFGS:   30 17:10:25     -137.232384         7.589145
BFGS:   31 17:10:25     -137.659199         7.453099
BFGS:   32 17:10:25      -48.584368        32.297898
BFGS:   33 17:10:25             nan              nan