element(s):
['C']
AFLOW prototype label:
A_mC16_12_4i
Parameter names:
['a', 'b/a', 'c/a', 'beta', '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:
['9.1921', '0.27467064', '0.45133321', '82.971', '0.94271241', '0.87955035', '0.44178398', '0.65364615', '0.78567809', '0.059238811', '0.27133365', '0.58534651']
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 =  [[0.05728759 0.         0.12044965]
 [0.55821602 0.         0.34635385]
 [0.21432191 0.         0.94076119]
 [0.72866635 0.         0.41465349]]
spacegroup =  12
cell =  [[9.1921, 0, 0], [0, 2.5248, 0], [0.50768347396664, 0, 4.1175197850479]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:16:30       -7.535445       17.0081
BFGS:    1 16:16:30      -14.305998       19.2826
BFGS:    2 16:16:30      -33.636253       16.5620
BFGS:    3 16:16:30      -41.733472       19.8413
BFGS:    4 16:16:30      -70.676105       21.7438
BFGS:    5 16:16:30      -80.257528       23.0904
BFGS:    6 16:16:30      -88.093127       21.0457
BFGS:    7 16:16:30     -107.950768       19.0609
BFGS:    8 16:16:30      -82.352523       19.8600
BFGS:    9 16:16:30      -91.137472       21.6193
BFGS:   10 16:16:30      -94.421650       21.9558
BFGS:   11 16:16:30     -119.215764       19.6592
BFGS:   12 16:16:30     -121.221506       17.4673
BFGS:   13 16:16:30     -122.716022       15.2501
BFGS:   14 16:16:30      -94.555743       13.5699
BFGS:   15 16:16:30      -95.747928       12.7385
BFGS:   16 16:16:30      -96.918814       12.5400
BFGS:   17 16:16:30      -98.057312       13.3840
BFGS:   18 16:16:30      -99.086345       14.9755
BFGS:   19 16:16:30     -100.055821       15.9931
BFGS:   20 16:16:30     -101.454757       14.5300
BFGS:   21 16:16:30     -102.539976       15.7096
BFGS:   22 16:16:30     -107.690614       16.0354
BFGS:   23 16:16:30     -109.533463       18.2938
BFGS:   24 16:16:30     -110.764505       20.2831
BFGS:   25 16:16:30     -111.734125       22.4142
BFGS:   26 16:16:30     -112.667853       24.8983
BFGS:   27 16:16:30     -113.564662       27.2014
BFGS:   28 16:16:30     -114.774330       30.9534
BFGS:   29 16:16:30     -116.538906       34.9082
BFGS:   30 16:16:30     -142.149966       22.8635
BFGS:   31 16:16:30     -144.143079       23.1441
BFGS:   32 16:16:30     -146.082007       20.8513
BFGS:   33 16:16:30     -147.765171       16.8292
BFGS:   34 16:16:30        3.255015       48.1279
BFGS:   35 16:16:30       -9.222550       47.4632
BFGS:   36 16:16:30      -11.560916       46.0253
BFGS:   37 16:16:30      -13.917480       44.5873
BFGS:   38 16:16:30       -5.477358       43.1836
BFGS:   39 16:16:30             nan           nan