element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:09      -24.608222        13.540210
BFGS:    1 15:52:09      -28.446534        10.855309
BFGS:    2 15:52:09      -30.658350         8.482728
BFGS:    3 15:52:09      -31.892842         7.896150
BFGS:    4 15:52:09      -33.057707         7.549465
BFGS:    5 15:52:09      -34.198671         7.210382
BFGS:    6 15:52:09      -35.310443         6.824380
BFGS:    7 15:52:09      -36.380974         6.372374
BFGS:    8 15:52:09      -37.397781         5.849367
BFGS:    9 15:52:09      -38.350053         5.257787
BFGS:   10 15:52:09      -39.229759         4.604374
BFGS:   11 15:52:09      -40.032583         3.898417
BFGS:   12 15:52:09      -40.758988         3.150591
BFGS:   13 15:52:09      -41.415574         2.372068
BFGS:   14 15:52:09      -42.016576         2.510505
BFGS:   15 15:52:09      -42.584514         2.904698
BFGS:   16 15:52:09      -43.147513         3.392879
BFGS:   17 15:52:09      -43.730575         3.957393
BFGS:   18 15:52:09      -44.343109         4.549194
BFGS:   19 15:52:09      -44.975960         5.099582
BFGS:   20 15:52:09      -45.616501         5.541363
BFGS:   21 15:52:09      -46.245914         5.811207
BFGS:   22 15:52:09      -46.838281         5.849380
BFGS:   23 15:52:09      -47.375407         5.660775
BFGS:   24 15:52:09      -47.893197         5.251896
BFGS:   25 15:52:09      -48.334349         4.522125
BFGS:   26 15:52:09      -48.654680         4.015448
BFGS:   27 15:52:09      -48.802230         3.306435
BFGS:   28 15:52:09      -48.873941         3.302467
BFGS:   29 15:52:09      -49.210459         3.142668
BFGS:   30 15:52:09      -49.541389         2.939089
BFGS:   31 15:52:09      -49.854928         2.724048
BFGS:   32 15:52:09      -50.147033         2.508834
BFGS:   33 15:52:09      -50.416559         2.278304
BFGS:   34 15:52:09      -50.606826         1.400976
BFGS:   35 15:52:09      -50.758115         0.446151
BFGS:   36 15:52:09      -50.772595         0.267257
BFGS:   37 15:52:09      -50.791206         0.255061
BFGS:   38 15:52:09      -50.956402         0.143496
BFGS:   39 15:52:09      -51.005770         0.328361
BFGS:   40 15:52:09      -51.014568         0.062070
BFGS:   41 15:52:09      -51.015485         0.002516
BFGS:   42 15:52:09      -51.015504         0.000095
BFGS:   43 15:52:09      -51.015504         0.000003
BFGS:   44 15:52:09      -51.015504         0.000000
BFGS:   45 15:52:09      -51.015504         0.000000
Minimization converged after 45 steps.
Maximum force component: 1.7582621267507134e-11 eV/Angstrom
Maximum stress component: 2.9260350551182074e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.625 0.625 0.625]
 [0.875 0.375 0.125]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]
 [0.875 0.875 0.875]
 [0.625 0.125 0.375]
 [0.125 0.375 0.625]
 [0.375 0.625 0.125]
 [0.375 0.375 0.375]
 [0.125 0.625 0.875]
 [0.625 0.875 0.125]
 [0.875 0.125 0.625]]
cellpar =  Cell([[6.263242208986943, 2.892447581542232e-36, 0.0], [-2.5128647269675703e-36, 6.263242208986943, 0.0], [0.0, 0.0, 6.263242208986943]])
forces =  [[-1.75826213e-11 -1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11  1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11 -1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11  1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11 -1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11  1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11 -1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11  1.75826213e-11  1.75826213e-11]
 [ 1.75826213e-11  1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11 -1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11  1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11 -1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11  1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11 -1.75826213e-11  1.75826213e-11]
 [-1.75826213e-11  1.75826213e-11 -1.75826213e-11]
 [ 1.75826213e-11 -1.75826213e-11 -1.75826213e-11]]
stress =  [-2.92603506e-12 -2.92603506e-12 -2.92603506e-12  0.00000000e+00
  0.00000000e+00 -3.35158910e-33]
energy per atom =  -3.1884690084987817
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI16_206_c, while relaxed is A_cI16_230_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.