element(s):
['Si']
AFLOW prototype label:
A_hR8_148_cf
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4412577', '0.59921929', '0.28578699', '0.47802387', '0.97998916', '0.28193827']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.         0.28578699]
 [0.73333873 0.76862656 0.24665043]]
spacegroup =  148
cell =  [[9.4413, 0, 0], [-4.72065, 8.17640564475, 0], [0, 0, 5.6574]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:50:41     -104.024620         0.518928
BFGS:    1 12:50:41     -104.040688         0.511586
BFGS:    2 12:50:41     -104.119377         0.470141
BFGS:    3 12:50:41     -104.168682         0.448469
BFGS:    4 12:50:41     -104.208073         0.454375
BFGS:    5 12:50:42     -104.249376         0.487709
BFGS:    6 12:50:42     -104.313612         0.566115
BFGS:    7 12:50:42     -104.460476         0.870585
BFGS:    8 12:50:42     -104.778655         1.125188
BFGS:    9 12:50:42     -105.102528         0.730909
BFGS:   10 12:50:43     -105.288950         0.539906
BFGS:   11 12:50:43     -105.420000         0.524072
BFGS:   12 12:50:43     -105.589220         0.653820
BFGS:   13 12:50:43     -105.803682         0.588694
BFGS:   14 12:50:44     -105.871875         0.422192
BFGS:   15 12:50:44     -105.884927         0.285742
BFGS:   16 12:50:44     -105.889341         0.290654
BFGS:   17 12:50:44     -105.902978         0.266326
BFGS:   18 12:50:45     -105.908372         0.232923
BFGS:   19 12:50:45     -105.917204         0.181164
BFGS:   20 12:50:45     -105.925368         0.142671
BFGS:   21 12:50:45     -105.933126         0.121909
BFGS:   22 12:50:46     -105.940038         0.099493
BFGS:   23 12:50:46     -105.945359         0.103858
BFGS:   24 12:50:46     -105.947935         0.110638
BFGS:   25 12:50:47     -105.950835         0.108401
BFGS:   26 12:50:47     -105.955026         0.108724
BFGS:   27 12:50:47     -105.962206         0.134643
BFGS:   28 12:50:47     -105.970069         0.154980
BFGS:   29 12:50:48     -105.977983         0.154725
BFGS:   30 12:50:48     -105.985460         0.139753
BFGS:   31 12:50:48     -105.991939         0.114200
BFGS:   32 12:50:49     -105.996976         0.082888
BFGS:   33 12:50:49     -106.000292         0.093778
BFGS:   34 12:50:49     -106.001778         0.103677
BFGS:   35 12:50:50     -106.002652         0.107006
BFGS:   36 12:50:50     -106.005355         0.109023
BFGS:   37 12:50:50     -106.008773         0.099340
BFGS:   38 12:50:50     -106.013856         0.096981
BFGS:   39 12:50:51     -106.017901         0.063931
BFGS:   40 12:50:51     -106.019382         0.019630
BFGS:   41 12:50:51     -106.019569         0.004922
BFGS:   42 12:50:52     -106.019585         0.001372
BFGS:   43 12:50:52     -106.019586         0.000298
BFGS:   44 12:50:52     -106.019586         0.000021
BFGS:   45 12:50:52     -106.019586         0.000006
BFGS:   46 12:50:52     -106.019586         0.000002
BFGS:   47 12:50:53     -106.019586         0.000000
BFGS:   48 12:50:53     -106.019586         0.000000
BFGS:   49 12:50:53     -106.019586         0.000000
BFGS:   50 12:50:54     -106.019586         0.000000