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 11:58:19       -7.535445        17.008129
BFGS:    1 11:58:20      -14.305998        19.282646
BFGS:    2 11:58:20      -33.636253        16.562037
BFGS:    3 11:58:20      -41.733472        19.841269
BFGS:    4 11:58:20      -70.676105        21.743750
BFGS:    5 11:58:20      -80.257528        23.090375
BFGS:    6 11:58:20      -88.093127        21.045665
BFGS:    7 11:58:20     -107.950768        19.060931
BFGS:    8 11:58:20      -82.352523        19.860000
BFGS:    9 11:58:20      -91.137472        21.619332
BFGS:   10 11:58:20      -94.421650        21.955752
BFGS:   11 11:58:21     -119.215764        19.659186
BFGS:   12 11:58:21     -121.221506        17.467330
BFGS:   13 11:58:21     -122.716022        15.250091
BFGS:   14 11:58:21      -94.555743        13.569922
BFGS:   15 11:58:21      -95.747928        12.738468
BFGS:   16 11:58:21      -96.918814        12.540022
BFGS:   17 11:58:21      -98.057312        13.384042
BFGS:   18 11:58:21      -99.086345        14.975518
BFGS:   19 11:58:21     -100.055821        15.993130
BFGS:   20 11:58:21     -101.454757        14.529956
BFGS:   21 11:58:21     -102.539976        15.709645
BFGS:   22 11:58:22     -107.690614        16.035413
BFGS:   23 11:58:22     -109.533463        18.293804
BFGS:   24 11:58:22     -110.764505        20.283080
BFGS:   25 11:58:22     -111.734125        22.414195
BFGS:   26 11:58:22     -112.667853        24.898330
BFGS:   27 11:58:22     -113.564662        27.201427
BFGS:   28 11:58:22     -114.774330        30.953364
BFGS:   29 11:58:22     -116.538906        34.908234
BFGS:   30 11:58:22     -142.149966        22.863451
BFGS:   31 11:58:22     -144.143079        23.144100
BFGS:   32 11:58:22     -146.082007        20.851270
BFGS:   33 11:58:22     -147.765171        16.829184
BFGS:   34 11:58:22        3.255015        48.127899
BFGS:   35 11:58:23       -9.222550        47.463199
BFGS:   36 11:58:23      -11.560916        46.025286
BFGS:   37 11:58:23      -13.917480        44.587259
BFGS:   38 11:58:23       -5.477358        43.183574
BFGS:   39 11:58:23             nan              nan