element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:32:25     -113.447430        1.8048
BFGS:    1 16:32:25     -113.533774        1.0761
BFGS:    2 16:32:25     -113.600907        0.4806
BFGS:    3 16:32:25     -113.608396        0.4475
BFGS:    4 16:32:25     -113.628705        0.3370
BFGS:    5 16:32:25     -113.650685        0.3789
BFGS:    6 16:32:25     -113.668781        0.2931
BFGS:    7 16:32:25     -113.677122        0.0848
BFGS:    8 16:32:25     -113.677734        0.0519
BFGS:    9 16:32:25     -113.677857        0.0423
BFGS:   10 16:32:25     -113.677950        0.0409
BFGS:   11 16:32:25     -113.678195        0.0313
BFGS:   12 16:32:25     -113.678419        0.0273
BFGS:   13 16:32:25     -113.678538        0.0118
BFGS:   14 16:32:25     -113.678558        0.0046
BFGS:   15 16:32:25     -113.678559        0.0043
BFGS:   16 16:32:25     -113.678559        0.0041
BFGS:   17 16:32:25     -113.678561        0.0031
BFGS:   18 16:32:25     -113.678562        0.0018
BFGS:   19 16:32:25     -113.678563        0.0010
BFGS:   20 16:32:25     -113.678563        0.0002
BFGS:   21 16:32:25     -113.678563        0.0000
BFGS:   22 16:32:25     -113.678563        0.0000
BFGS:   23 16:32:25     -113.678563        0.0000
BFGS:   24 16:32:25     -113.678563        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.4532232708863728e-09 eV/Angstrom
Maximum stress component: 3.994036980228243e-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 =  [[1.84431541e-01 1.66809934e-01 1.93313719e-36]
 [8.15568459e-01 8.33190066e-01 1.69223428e-35]
 [8.15568459e-01 1.66809934e-01 0.00000000e+00]
 [1.84431541e-01 8.33190066e-01 0.00000000e+00]
 [6.84431541e-01 6.66809934e-01 1.77866989e-36]
 [3.15568459e-01 3.33190066e-01 1.64242275e-35]
 [3.15568459e-01 6.66809934e-01 0.00000000e+00]
 [6.84431541e-01 3.33190066e-01 0.00000000e+00]
 [1.89274172e-01 4.09406428e-01 5.00000000e-01]
 [8.10725828e-01 5.90593572e-01 5.00000000e-01]
 [8.10725828e-01 4.09406428e-01 5.00000000e-01]
 [1.89274172e-01 5.90593572e-01 5.00000000e-01]
 [6.89274172e-01 9.09406428e-01 5.00000000e-01]
 [3.10725828e-01 9.05935715e-02 5.00000000e-01]
 [3.10725828e-01 9.09406428e-01 5.00000000e-01]
 [6.89274172e-01 9.05935715e-02 5.00000000e-01]]
cellpar =  Cell([[4.207147215071841, -6.333971743343003e-37, 0.0], [1.1184735486425948e-36, 8.80670168069005, 0.0], [0.0, 0.0, 2.5410335574976917]])
forces =  [[-2.39184804e-10  1.45322327e-09  0.00000000e+00]
 [ 2.39184804e-10 -1.45322327e-09  0.00000000e+00]
 [ 2.39184804e-10  1.45322327e-09  0.00000000e+00]
 [-2.39184804e-10 -1.45322327e-09  0.00000000e+00]
 [-2.39184804e-10  1.45322327e-09  0.00000000e+00]
 [ 2.39184804e-10 -1.45322327e-09  0.00000000e+00]
 [ 2.39184804e-10  1.45322327e-09  6.26413135e-32]
 [-2.39184804e-10 -1.45322327e-09  0.00000000e+00]
 [ 4.96919263e-10  5.54607436e-10  0.00000000e+00]
 [-4.96919263e-10 -5.54607436e-10  0.00000000e+00]
 [-4.96919263e-10  5.54607436e-10  0.00000000e+00]
 [ 4.96919263e-10 -5.54607436e-10 -6.26413135e-32]
 [ 4.96919263e-10  5.54607436e-10  0.00000000e+00]
 [-4.96919263e-10 -5.54607436e-10  0.00000000e+00]
 [-4.96919263e-10  5.54607436e-10  0.00000000e+00]
 [ 4.96919263e-10 -5.54607436e-10 -6.26413135e-32]]
stress =  [-2.30459636e-10 -1.08644105e-10 -3.99403698e-10  0.00000000e+00
  0.00000000e+00 -3.11912631e-47]
energy per atom =  -7.104910196498364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0