element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:46:08      -88.464401         0.525111
BFGS:    1 17:46:09      -88.473912         0.334713
BFGS:    2 17:46:09      -88.479589         0.276557
BFGS:    3 17:46:09      -88.481355         0.240456
BFGS:    4 17:46:09      -88.483595         0.214932
BFGS:    5 17:46:09      -88.490377         0.156182
BFGS:    6 17:46:09      -88.491494         0.058115
BFGS:    7 17:46:09      -88.491611         0.022067
BFGS:    8 17:46:09      -88.491629         0.019932
BFGS:    9 17:46:09      -88.491678         0.021692
BFGS:   10 17:46:09      -88.491728         0.025660
BFGS:   11 17:46:09      -88.491761         0.014577
BFGS:   12 17:46:09      -88.491768         0.003377
BFGS:   13 17:46:09      -88.491768         0.000177
BFGS:   14 17:46:09      -88.491768         0.000014
BFGS:   15 17:46:09      -88.491768         0.000001
BFGS:   16 17:46:09      -88.491768         0.000000
BFGS:   17 17:46:09      -88.491768         0.000000
Minimization converged after 17 steps.
Maximum force component: 6.097918154494558e-10 eV/Angstrom
Maximum stress component: 2.0865887953071507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.80207547e-35 0.00000000e+00 1.87500000e-01]
 [2.11896325e-35 0.00000000e+00 6.87500000e-01]
 [0.00000000e+00 5.77696104e-35 8.12500000e-01]
 [4.54761363e-35 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5182137371668896, 4.006248948118341e-19, -5.616755349994967e-37], [-1.2591068685834448, 2.1808370685454763, -1.3034642172449081e-36], [-2.9940621151925374e-36, -1.2374206741062744e-35, 12.336677438664388]])
forces =  [[ 4.96630092e-31 -2.21556158e-46  2.20962978e-10]
 [ 2.06929205e-32 -2.21631875e-46  2.20962978e-10]
 [ 5.36268281e-47  2.21635167e-46 -2.20962978e-10]
 [ 2.06929205e-31 -3.94253086e-31 -2.20962978e-10]
 [-6.27470402e-47 -2.59328236e-46  2.58541729e-10]
 [-1.42263828e-32  2.46408179e-32  2.58541729e-10]
 [ 3.31086728e-31  2.59380909e-46 -2.58541729e-10]
 [-1.50023674e-31  2.59848625e-31 -2.58541729e-10]
 [ 1.47994027e-46  6.11646858e-46 -6.09791815e-10]
 [ 2.48315046e-31  1.43364759e-31 -6.09791815e-10]
 [ 6.20787615e-32 -3.94253086e-31  6.09791815e-10]
 [ 1.65543364e-31 -6.11620522e-46  6.09791815e-10]]
stress =  [-2.08658880e-11 -2.08658880e-11 -2.22758092e-12 -2.44341794e-33
  1.05803100e-33 -8.60745277e-27]
energy per atom =  -7.374314033582723
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0