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 16:59:36       -7.808095       15.8019
BFGS:    1 16:59:36      -36.853696       18.0348
BFGS:    2 16:59:36      -43.838456       15.8607
BFGS:    3 16:59:36      -51.736425       19.2275
BFGS:    4 16:59:36      -64.776553       19.5793
BFGS:    5 16:59:36      -73.483329       22.8883
BFGS:    6 16:59:36      -87.942681       20.7479
BFGS:    7 16:59:36      -96.484948       23.3004
BFGS:    8 16:59:36      -98.828973       21.8937
BFGS:    9 16:59:36      -71.551928       25.4829
BFGS:   10 16:59:36      -75.814090       20.6211
BFGS:   11 16:59:36      -79.016217       17.2354
BFGS:   12 16:59:36     -121.246471       18.2934
BFGS:   13 16:59:36     -114.119226       12.5680
BFGS:   14 16:59:36     -115.803495       11.5575
BFGS:   15 16:59:36     -116.973436       10.8006
BFGS:   16 16:59:36     -117.911043       10.1130
BFGS:   17 16:59:36     -127.186252       10.6307
BFGS:   18 16:59:36     -127.954868        9.7870
BFGS:   19 16:59:36     -131.355546        8.8565
BFGS:   20 16:59:36     -131.934564        8.5767
BFGS:   21 16:59:36     -132.512374        8.5305
BFGS:   22 16:59:36     -133.093891        8.4667
BFGS:   23 16:59:36     -133.680956        8.3870
BFGS:   24 16:59:36     -134.264380        8.2933
BFGS:   25 16:59:36     -134.816703        8.1917
BFGS:   26 16:59:36     -135.342574        8.0830
BFGS:   27 16:59:36     -135.845113        7.9678
BFGS:   28 16:59:36     -136.326541        7.8469
BFGS:   29 16:59:36     -136.788525        7.7205
BFGS:   30 16:59:36     -137.232384        7.5891
BFGS:   31 16:59:36     -137.659199        7.4531
BFGS:   32 16:59:36      -48.584368       32.2979
BFGS:   33 16:59:36      -49.217573       32.9552
BFGS:   34 16:59:36      -49.892107       33.7903
BFGS:   35 16:59:36             nan           nan