element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
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:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:56:47      -25.640090         0.357935
BFGS:    1 11:56:47      -25.643686         0.230661
BFGS:    2 11:56:47      -25.645836         0.116906
BFGS:    3 11:56:47      -25.646934         0.091352
BFGS:    4 11:56:47      -25.647658         0.040437
BFGS:    5 11:56:47      -25.647721         0.011483
BFGS:    6 11:56:47      -25.647734         0.016041
BFGS:    7 11:56:47      -25.647752         0.020452
BFGS:    8 11:56:47      -25.647783         0.020763
BFGS:    9 11:56:47      -25.647808         0.013054
BFGS:   10 11:56:47      -25.647817         0.004755
BFGS:   11 11:56:47      -25.647818         0.000589
BFGS:   12 11:56:47      -25.647818         0.000033
BFGS:   13 11:56:47      -25.647818         0.000003
BFGS:   14 11:56:47      -25.647818         0.000000
BFGS:   15 11:56:47      -25.647818         0.000000
Minimization converged after 15 steps.
Maximum force component: 9.018470414901004e-10 eV/Angstrom
Maximum stress component: 2.9972559748073884e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000008e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.083000337643935, 1.9083681634946046e-18, 8.714656580789204e-38], [-1.5415001688219676, 2.6699566122756493, -2.409061965833917e-38], [2.313097568177409e-37, 7.83438091798739e-37, 5.034518469575139]])
forces =  [[ 4.05343073e-31 -1.40087255e-46 -9.01839048e-10]
 [-4.05343073e-31  7.02074797e-31 -9.01839048e-10]
 [ 5.06678841e-31 -1.75518699e-31  9.01847041e-10]
 [-1.01335768e-31  1.75518699e-31  9.01847041e-10]]
stress =  [-9.20290026e-12 -9.20290026e-12 -2.99725597e-11  3.05658912e-32
 -1.48236694e-32  1.13825888e-27]
energy per atom =  -6.411954566869777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0