element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:05     -112.669779         2.674408
BFGS:    1 17:26:05     -112.915252         1.288461
BFGS:    2 17:26:05     -112.995241         0.565570
BFGS:    3 17:26:06     -113.009206         0.563748
BFGS:    4 17:26:06     -113.028769         0.508665
BFGS:    5 17:26:06     -113.058176         0.380511
BFGS:    6 17:26:06     -113.080546         0.377440
BFGS:    7 17:26:06     -113.097288         0.254239
BFGS:    8 17:26:06     -113.103876         0.133056
BFGS:    9 17:26:06     -113.105802         0.114693
BFGS:   10 17:26:06     -113.106793         0.099328
BFGS:   11 17:26:06     -113.107467         0.087697
BFGS:   12 17:26:06     -113.108170         0.082575
BFGS:   13 17:26:06     -113.108984         0.075741
BFGS:   14 17:26:07     -113.110171         0.104713
BFGS:   15 17:26:07     -113.111513         0.092898
BFGS:   16 17:26:07     -113.112338         0.050787
BFGS:   17 17:26:07     -113.112598         0.023742
BFGS:   18 17:26:07     -113.112698         0.022738
BFGS:   19 17:26:07     -113.112843         0.023136
BFGS:   20 17:26:07     -113.113030         0.023303
BFGS:   21 17:26:07     -113.113158         0.014129
BFGS:   22 17:26:07     -113.113192         0.003920
BFGS:   23 17:26:07     -113.113195         0.002158
BFGS:   24 17:26:07     -113.113195         0.002253
BFGS:   25 17:26:08     -113.113196         0.002230
BFGS:   26 17:26:08     -113.113196         0.001928
BFGS:   27 17:26:08     -113.113197         0.001213
BFGS:   28 17:26:08     -113.113198         0.000658
BFGS:   29 17:26:08     -113.113198         0.000169
BFGS:   30 17:26:08     -113.113198         0.000020
BFGS:   31 17:26:08     -113.113198         0.000002
BFGS:   32 17:26:08     -113.113198         0.000001
BFGS:   33 17:26:08     -113.113198         0.000000
BFGS:   34 17:26:08     -113.113198         0.000000
BFGS:   35 17:26:09     -113.113198         0.000000
BFGS:   36 17:26:09     -113.113198         0.000000
Minimization converged after 36 steps.
Maximum force component: 5.929460828585365e-09 eV/Angstrom
Maximum stress component: 1.744498114698783e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.80289444 0.25       0.07810168]
 [0.69710556 0.75       0.57810168]
 [0.19710556 0.75       0.92189832]
 [0.30289444 0.25       0.42189832]
 [0.18901038 0.25       0.70527647]
 [0.31098962 0.75       0.20527647]
 [0.81098962 0.75       0.29472353]
 [0.68901038 0.25       0.79472353]
 [0.52314495 0.25       0.91307286]
 [0.97685505 0.75       0.41307286]
 [0.47685505 0.75       0.08692714]
 [0.02314495 0.25       0.58692714]
 [0.46235372 0.25       0.56840733]
 [0.03764628 0.75       0.06840733]
 [0.53764628 0.75       0.43159267]
 [0.96235372 0.25       0.93159267]]
cellpar =  Cell([[9.07803998770485, 1.8293615229783295e-35, 0.0], [-3.477044675308794e-36, 2.551687751314527, 0.0], [0.0, 0.0, 4.229625140006076]])
forces =  [[ 8.43338593e-10 -1.00646335e-30 -9.32240757e-10]
 [-8.43338593e-10 -1.69945404e-45 -9.32240757e-10]
 [-8.43338593e-10 -1.00646335e-30  9.32240757e-10]
 [ 8.43338593e-10  1.69945404e-45  9.32240757e-10]
 [ 1.11570404e-09  1.00646335e-30 -2.90413325e-10]
 [-1.11570404e-09 -1.00646335e-30 -2.90413325e-10]
 [-1.11570404e-09 -1.00646335e-30  2.90413325e-10]
 [ 1.11570404e-09  1.00646335e-30  2.90413325e-10]
 [-1.10431695e-09 -2.01292671e-30 -5.85869110e-10]
 [ 1.10431695e-09  1.00646335e-30 -5.85869110e-10]
 [ 1.10431695e-09  2.22536466e-45  5.85869110e-10]
 [-1.10431695e-09 -1.00646335e-30  5.85869110e-10]
 [-5.92946083e-09 -5.03231677e-31  4.89038236e-09]
 [ 5.92946083e-09  1.19487549e-44  4.89038236e-09]
 [ 5.92946083e-09  5.03231677e-31 -4.89038236e-09]
 [-5.92946083e-09  1.00646335e-30 -4.89038236e-09]]
stress =  [ 1.74971767e-11 -1.74449811e-10  4.99093488e-11  0.00000000e+00
  0.00000000e+00  4.26236751e-47]
energy per atom =  -7.069574861290914
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.