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 15:46:51      -18.849726        14.849080
BFGS:    1 15:46:51      -21.033521        14.221501
BFGS:    2 15:46:51      -23.102984        13.330281
BFGS:    3 15:46:51      -25.021255        12.212203
BFGS:    4 15:46:51      -26.757383        10.908990
BFGS:    5 15:46:52      -28.286941         9.465602
BFGS:    6 15:46:52      -29.592381         7.928549
BFGS:    7 15:46:52      -30.663147         6.344265
BFGS:    8 15:46:52      -31.495546         4.757601
BFGS:    9 15:46:52      -32.092410         3.210463
BFGS:   10 15:46:52      -32.462559         1.740626
BFGS:   11 15:46:52      -32.620105         0.380728
BFGS:   12 15:46:52      -32.628554         0.023491
BFGS:   13 15:46:52      -32.628587         0.000389
BFGS:   14 15:46:52      -32.628587         0.000000
BFGS:   15 15:46:52      -32.628587         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.1278740946048662e-29 eV/Angstrom
Maximum stress component: 3.227387462587198e-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 7.32677178e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.76158192e-36 5.00000000e-01 7.50000000e-01]
 [2.50772128e-36 2.50000000e-01 5.00000000e-01]
 [2.50772128e-37 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 3.72344140e-33 7.50000000e-01]
 [5.00000000e-01 3.60333038e-33 2.50000000e-01]]
cellpar =  Cell([[6.4138330004085065, -1.069228441059308e-32, 5.7869321287721625e-33], [-1.3121190838209895e-32, 6.4138330004085065, 7.579914446757127e-18], [-7.203162604238357e-33, 7.579914446757037e-18, 6.4138330004085065]])
forces =  [[-3.16226382e-31  3.11432196e-50  2.63521985e-32]
 [ 2.10817588e-31 -3.51446882e-64  1.90211855e-64]
 [ 8.42481816e-63 -4.11094296e-30 -1.31760992e-32]
 [ 1.18584893e-31  7.90565954e-30  9.34296589e-48]
 [-2.63521985e-32 -2.63521985e-32  1.12787409e-29]
 [ 7.90565954e-32 -3.73718636e-48 -3.16226382e-30]
 [ 1.05408794e-31  9.06515627e-30  1.07132676e-47]
 [-2.63521985e-32 -8.85433869e-30  2.63521985e-32]
 [ 6.32452763e-31 -1.05434064e-63  5.70635565e-64]
 [-8.43270351e-31  1.40578753e-63 -7.60847420e-64]
 [-1.23116356e-62  1.29555794e-47  1.09625146e-29]
 [ 4.61163473e-32 -3.73718636e-48 -3.16226382e-30]]
stress =  [ 3.22738746e-13  3.22738746e-13  3.22738746e-13  1.18867887e-30
 -9.58815712e-33  1.01875676e-49]
energy per atom =  -2.7190489199502426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0