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 16:38:20      -24.608222        13.540210
BFGS:    1 16:38:20      -28.446534        10.855309
BFGS:    2 16:38:20      -30.658350         8.482728
BFGS:    3 16:38:20      -31.892842         7.896150
BFGS:    4 16:38:21      -33.057707         7.549465
BFGS:    5 16:38:21      -34.198671         7.210382
BFGS:    6 16:38:21      -35.310443         6.824380
BFGS:    7 16:38:21      -36.380974         6.372374
BFGS:    8 16:38:21      -37.397781         5.849367
BFGS:    9 16:38:21      -38.350053         5.257787
BFGS:   10 16:38:21      -39.229759         4.604374
BFGS:   11 16:38:21      -40.032583         3.898417
BFGS:   12 16:38:21      -40.758988         3.150591
BFGS:   13 16:38:22      -41.415574         2.372068
BFGS:   14 16:38:22      -42.016576         2.510505
BFGS:   15 16:38:22      -42.584514         2.904698
BFGS:   16 16:38:22      -43.147513         3.392879
BFGS:   17 16:38:22      -43.730575         3.957393
BFGS:   18 16:38:22      -44.343109         4.549194
BFGS:   19 16:38:22      -44.975960         5.099582
BFGS:   20 16:38:22      -45.616501         5.541363
BFGS:   21 16:38:22      -46.245914         5.811207
BFGS:   22 16:38:22      -46.838281         5.849380
BFGS:   23 16:38:22      -47.375407         5.660775
BFGS:   24 16:38:22      -47.893197         5.251896
BFGS:   25 16:38:22      -48.334349         4.522125
BFGS:   26 16:38:22      -48.654680         4.015448
BFGS:   27 16:38:23      -48.802230         3.306435
BFGS:   28 16:38:23      -48.873941         3.302467
BFGS:   29 16:38:23      -49.210459         3.142668
BFGS:   30 16:38:23      -49.541389         2.939089
BFGS:   31 16:38:23      -49.854928         2.724048
BFGS:   32 16:38:23      -50.147033         2.508834
BFGS:   33 16:38:23      -50.416559         2.278304
BFGS:   34 16:38:23      -50.606826         1.400976
BFGS:   35 16:38:23      -50.758115         0.446151
BFGS:   36 16:38:24      -50.772595         0.267257
BFGS:   37 16:38:24      -50.791206         0.255061
BFGS:   38 16:38:24      -50.956402         0.143496
BFGS:   39 16:38:24      -51.005770         0.328361
BFGS:   40 16:38:24      -51.014568         0.062070
BFGS:   41 16:38:24      -51.015485         0.002516
BFGS:   42 16:38:24      -51.015504         0.000095
BFGS:   43 16:38:24      -51.015504         0.000003
BFGS:   44 16:38:24      -51.015504         0.000000
BFGS:   45 16:38:24      -51.015504         0.000000
Minimization converged after 45 steps.
Maximum force component: 1.758354226111259e-11 eV/Angstrom
Maximum stress component: 2.9281268779985553e-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, -5.375187181376157e-36, 0.0], [-3.028453116111929e-36, 6.263242208986943, 0.0], [0.0, 0.0, 6.263242208986943]])
forces =  [[-1.75835423e-11 -1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11  1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11 -1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11  1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11 -1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11  1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11 -1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11  1.75835423e-11  1.75835423e-11]
 [ 1.75835423e-11  1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11 -1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11  1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11 -1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11  1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11 -1.75835423e-11  1.75835423e-11]
 [-1.75835423e-11  1.75835423e-11 -1.75835423e-11]
 [ 1.75835423e-11 -1.75835423e-11 -1.75835423e-11]]
stress =  [-2.92812688e-12 -2.92812688e-12 -2.92812688e-12  0.00000000e+00
  0.00000000e+00  1.67579455e-33]
energy per atom =  -3.188469008498781
===============================================
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.