element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:12      -43.798232         2.194662
BFGS:    1 15:39:12      -43.998321         2.060508
BFGS:    2 15:39:12      -44.291750         1.853234
BFGS:    3 15:39:12      -44.554688         1.653911
BFGS:    4 15:39:12      -44.788307         1.462261
BFGS:    5 15:39:12      -44.993737         1.278022
BFGS:    6 15:39:12      -45.172071         1.100942
BFGS:    7 15:39:12      -45.324366         0.930780
BFGS:    8 15:39:12      -45.451640         0.767305
BFGS:    9 15:39:12      -45.554880         0.610296
BFGS:   10 15:39:12      -45.635041         0.459538
BFGS:   11 15:39:12      -45.693044         0.314826
BFGS:   12 15:39:12      -45.729781         0.175964
BFGS:   13 15:39:12      -45.746116         0.042759
BFGS:   14 15:39:12      -45.747171         0.001169
BFGS:   15 15:39:12      -45.747172         0.000008
BFGS:   16 15:39:12      -45.747172         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.2214794040147003e-31 eV/Angstrom
Maximum stress component: 2.3229208999997023e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 5.65307637e-33 0.00000000e+00]
 [3.98197144e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.862024731283041, -6.843285414692006e-34, 1.1245491869446884e-32], [-7.883630914860748e-33, 3.862024731283041, 2.3172936201463845e-17], [-1.275146897736108e-32, 2.3172936201463854e-17, 3.862024731283041]])
forces =  [[-9.52062602e-32  8.72724052e-32 -7.93385501e-33]
 [ 6.34708401e-32 -7.93385501e-33  3.17354201e-32]
 [ 2.38015650e-32 -7.93385501e-32  3.96692751e-32]
 [ 2.22147940e-31  1.22974753e-31  1.19007825e-32]
 [-3.17354201e-32  2.38023743e-49  3.96692751e-32]
 [ 1.03140115e-31  4.76031301e-32  2.85628491e-49]
 [ 3.17354201e-32 -2.77684926e-32  1.88429057e-31]
 [-1.09564092e-64  7.93385501e-32 -1.58677100e-32]]
stress =  [-2.32292090e-10 -2.32292090e-10 -2.32292090e-10  3.90907326e-26
  3.86214633e-58  4.29149227e-59]
energy per atom =  -5.7183965129690755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0