element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:47:19      -43.800486         2.263896
BFGS:    1 10:47:19      -44.008156         2.087506
BFGS:    2 10:47:19      -44.295668         1.859905
BFGS:    3 10:47:19      -44.552875         1.655080
BFGS:    4 10:47:19      -44.782425         1.464196
BFGS:    5 10:47:19      -44.985204         1.283416
BFGS:    6 10:47:19      -45.161930         1.110902
BFGS:    7 10:47:19      -45.313416         0.945681
BFGS:    8 10:47:19      -45.440553         0.787175
BFGS:    9 10:47:20      -45.544272         0.634991
BFGS:   10 10:47:20      -45.625510         0.488837
BFGS:   11 10:47:20      -45.685204         0.348478
BFGS:   12 10:47:20      -45.724281         0.213721
BFGS:   13 10:47:20      -45.743678         0.084439
BFGS:   14 10:47:20      -45.746335         0.036143
BFGS:   15 10:47:20      -45.746369         0.037875
BFGS:   16 10:47:20      -45.746551         0.040548
BFGS:   17 10:47:20      -45.746768         0.035822
BFGS:   18 10:47:20      -45.747020         0.020967
BFGS:   19 10:47:20      -45.747138         0.016421
BFGS:   20 10:47:20      -45.747166         0.008100
BFGS:   21 10:47:20      -45.747171         0.003190
BFGS:   22 10:47:21      -45.747172         0.000728
BFGS:   23 10:47:21      -45.747172         0.000149
BFGS:   24 10:47:21      -45.747172         0.000054
BFGS:   25 10:47:21      -45.747172         0.000015
BFGS:   26 10:47:21      -45.747172         0.000004
BFGS:   27 10:47:21      -45.747172         0.000001
BFGS:   28 10:47:21      -45.747172         0.000000
BFGS:   29 10:47:21      -45.747172         0.000000
Minimization converged after 29 steps.
Maximum force component: 2.386567055090439e-09 eV/Angstrom
Maximum stress component: 2.6853821121098474e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 1.69880926e-35 5.93750000e-01]
 [3.58227993e-36 8.41004855e-35 9.06250000e-01]
 [1.17003315e-34 2.62633314e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.7308638767411244, 9.664495537916168e-18, -4.1394058125862345e-37], [-1.3654319383705622, 2.3649974915350698, -1.0431754959223208e-36], [-5.27024188540273e-37, 9.245298090131223e-38, 8.918964072893289]])
forces =  [[-2.69283969e-31  2.37858935e-47  2.38656706e-09]
 [ 2.24403307e-32 -3.88677930e-32  2.38656706e-09]
 [ 1.37447026e-31 -4.85847412e-33 -2.38656706e-09]
 [-1.34641984e-31  1.36037275e-31 -2.38656706e-09]
 [ 1.79522646e-31  7.77355859e-32 -1.03826103e-09]
 [ 1.34641984e-31 -7.77355859e-32 -1.03826103e-09]
 [ 2.38428514e-31 -1.84622017e-31  1.03826103e-09]
 [-1.82327687e-31  8.25940600e-32  1.03826103e-09]]
stress =  [-4.19832368e-11 -4.19832368e-11 -2.68538211e-10  1.86992996e-32
 -2.10606553e-45 -1.51518717e-27]
energy per atom =  -5.718396512969076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0