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:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 17:10:22     -110.413650         2.436312
BFGS:    1 17:10:23     -110.494688         2.252815
BFGS:    2 17:10:23     -110.606475         0.572200
BFGS:    3 17:10:23     -110.623411         0.533681
BFGS:    4 17:10:23     -110.669377         0.388048
BFGS:    5 17:10:23     -110.690501         0.281621
BFGS:    6 17:10:23     -110.698433         0.221335
BFGS:    7 17:10:23     -110.701063         0.195610
BFGS:    8 17:10:23     -110.704073         0.161069
BFGS:    9 17:10:23     -110.708088         0.185773
BFGS:   10 17:10:24     -110.711654         0.147293
BFGS:   11 17:10:24     -110.712930         0.053505
BFGS:   12 17:10:24     -110.713089         0.013966
BFGS:   13 17:10:24     -110.713101         0.012504
BFGS:   14 17:10:24     -110.713108         0.011340
BFGS:   15 17:10:24     -110.713129         0.007398
BFGS:   16 17:10:24     -110.713151         0.006009
BFGS:   17 17:10:24     -110.713165         0.003796
BFGS:   18 17:10:24     -110.713168         0.001148
BFGS:   19 17:10:24     -110.713168         0.000177
BFGS:   20 17:10:24     -110.713168         0.000058
BFGS:   21 17:10:24     -110.713168         0.000028
BFGS:   22 17:10:24     -110.713168         0.000024
BFGS:   23 17:10:25     -110.713168         0.000023
BFGS:   24 17:10:25     -110.713168         0.000024
BFGS:   25 17:10:25     -110.713168         0.000020
BFGS:   26 17:10:25     -110.713168         0.000009
BFGS:   27 17:10:25     -110.713168         0.000003
BFGS:   28 17:10:25     -110.713168         0.000000
BFGS:   29 17:10:25     -110.713168         0.000000
BFGS:   30 17:10:25     -110.713168         0.000000
BFGS:   31 17:10:25     -110.713168         0.000000
Minimization converged after 31 steps.
Maximum force component: 2.759029074650421e-09 eV/Angstrom
Maximum stress component: 3.466889176113066e-11 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 =  [[0.80459236 0.25       0.0630109 ]
 [0.69540764 0.75       0.5630109 ]
 [0.19540764 0.75       0.9369891 ]
 [0.30459236 0.25       0.4369891 ]
 [0.19131847 0.25       0.71145318]
 [0.30868153 0.75       0.21145318]
 [0.80868153 0.75       0.28854682]
 [0.69131847 0.25       0.78854682]
 [0.52122555 0.25       0.91286521]
 [0.97877445 0.75       0.41286521]
 [0.47877445 0.75       0.08713479]
 [0.02122555 0.25       0.58713479]
 [0.46498819 0.25       0.56634614]
 [0.03501181 0.75       0.06634614]
 [0.53501181 0.75       0.43365386]
 [0.96498819 0.25       0.93365386]]
cellpar =  Cell([[9.09388935458868, 1.130988424963468e-35, 0.0], [-4.03253531676336e-37, 2.558789109233932, 0.0], [0.0, 0.0, 4.170451897851757]])
forces =  [[-9.83432225e-11 -1.22307455e-46 -2.75902907e-09]
 [ 9.83432225e-11  6.30790217e-32 -2.75902907e-09]
 [ 9.83432225e-11  6.30790217e-32  2.75902907e-09]
 [-9.83432225e-11 -1.26158043e-31  2.75902907e-09]
 [ 1.04130850e-09  1.29505410e-45 -2.58622398e-09]
 [-1.04130850e-09 -6.40646314e-33 -2.58622398e-09]
 [-1.04130850e-09 -1.29505410e-45  2.58622398e-09]
 [ 1.04130850e-09  1.29505410e-45  2.58622398e-09]
 [-2.40987993e-10 -5.04632173e-31 -9.05023556e-11]
 [ 2.40987993e-10 -5.99250706e-31 -9.05023556e-11]
 [ 2.40987993e-10 -5.04632173e-31  9.05023556e-11]
 [-2.40987993e-10  5.04632173e-31  9.05023556e-11]
 [-2.07289666e-09 -1.89237065e-31  1.22919480e-10]
 [ 2.07289666e-09  2.57801919e-45  1.22919480e-10]
 [ 2.07289666e-09  1.89237065e-31 -1.22919480e-10]
 [-2.07289666e-09 -2.57801919e-45 -1.22919480e-10]]
stress =  [ 2.34470933e-11 -3.46688918e-11  3.10808135e-11  0.00000000e+00
  0.00000000e+00 -2.11883087e-33]
energy per atom =  -6.919573001743909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0