element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:18      -18.849726        14.849080
BFGS:    1 15:32:18      -21.033521        14.221501
BFGS:    2 15:32:18      -23.102984        13.330281
BFGS:    3 15:32:18      -25.021255        12.212203
BFGS:    4 15:32:18      -26.757383        10.908990
BFGS:    5 15:32:18      -28.286941         9.465602
BFGS:    6 15:32:18      -29.592381         7.928549
BFGS:    7 15:32:18      -30.663147         6.344265
BFGS:    8 15:32:18      -31.495546         4.757601
BFGS:    9 15:32:18      -32.092410         3.210463
BFGS:   10 15:32:18      -32.462559         1.740626
BFGS:   11 15:32:18      -32.620105         0.380728
BFGS:   12 15:32:18      -32.628554         0.023491
BFGS:   13 15:32:18      -32.628587         0.000389
BFGS:   14 15:32:18      -32.628587         0.000000
BFGS:   15 15:32:18      -32.628587         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.008301251633399e-30 eV/Angstrom
Maximum stress component: 3.220385086238871e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.14660526e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.20111013e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [9.36538390e-37 5.00000000e-01 7.50000000e-01]
 [6.88594795e-36 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.24299735e-33 7.50000000e-01]
 [5.00000000e-01 3.57330263e-33 2.50000000e-01]]
cellpar =  Cell([[6.413833000408506, -4.9111196822318066e-33, -8.752279534068897e-34], [-7.738792825280591e-33, 6.413833000408506, 5.928393047806015e-18], [2.6366432275208253e-34, 5.92839304780593e-18, 6.413833000408506]])
forces =  [[ 2.16088027e-30  2.43757836e-31 -4.61163473e-32]
 [ 4.21635176e-31 -1.84465389e-31  3.16226382e-31]
 [ 1.05408794e-31  2.10817588e-31  4.21635176e-31]
 [ 7.90565954e-32 -6.00830125e-30 -2.76698084e-31]
 [ 4.21635176e-31 -2.63521985e-32 -1.47572311e-30]
 [-2.37169786e-31  3.16226382e-31  5.05962211e-30]
 [ 5.27043969e-32 -5.48125728e-30 -2.10817588e-31]
 [ 1.05408794e-31  4.74339572e-30  4.08459076e-31]
 [ 5.32314409e-30 -1.71289290e-31  2.81639121e-31]
 [-1.89735829e-30  2.10817588e-31 -2.63521985e-32]
 [ 4.21635176e-31 -2.63521985e-32  1.05408794e-30]
 [-2.04229538e-31  2.89874183e-31 -1.10679234e-30]]
stress =  [ 3.22038509e-13  3.22038509e-13  3.22038509e-13  8.28007052e-31
 -1.59802619e-33 -1.42993329e-50]
energy per atom =  -2.7190489199502434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0