element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:53     -125.033153         2.530727
BFGS:    1 15:10:53     -125.537120         1.280518
BFGS:    2 15:10:53     -125.697606         1.216642
BFGS:    3 15:10:53     -125.937717         1.068594
BFGS:    4 15:10:53     -126.081013         0.932794
BFGS:    5 15:10:53     -126.181583         0.806760
BFGS:    6 15:10:53     -126.265919         0.688748
BFGS:    7 15:10:53     -126.345737         0.638627
BFGS:    8 15:10:53     -126.424333         0.649927
BFGS:    9 15:10:53     -126.500997         0.617768
BFGS:   10 15:10:53     -126.572879         0.546313
BFGS:   11 15:10:53     -126.635645         0.437250
BFGS:   12 15:10:53     -126.683681         0.289210
BFGS:   13 15:10:53     -126.709430         0.091509
BFGS:   14 15:10:53     -126.711552         0.032995
BFGS:   15 15:10:53     -126.712032         0.012733
BFGS:   16 15:10:53     -126.712177         0.002087
BFGS:   17 15:10:53     -126.712181         0.001211
BFGS:   18 15:10:53     -126.712181         0.000322
BFGS:   19 15:10:53     -126.712181         0.000057
BFGS:   20 15:10:53     -126.712181         0.000003
BFGS:   21 15:10:53     -126.712181         0.000000
BFGS:   22 15:10:53     -126.712181         0.000000
Minimization converged after 22 steps.
Maximum force component: 6.2289858178873e-09 eV/Angstrom
Maximum stress component: 7.111180178959598e-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', 'C', 'C', 'C', 'C']
basis =  [[0.2573771  0.2573771  0.2573771 ]
 [0.7426229  0.7426229  0.2573771 ]
 [0.7426229  0.2573771  0.7426229 ]
 [0.2573771  0.7426229  0.7426229 ]
 [0.2573771  0.2573771  0.7426229 ]
 [0.7426229  0.7426229  0.7426229 ]
 [0.2573771  0.7426229  0.2573771 ]
 [0.7426229  0.2573771  0.2573771 ]
 [0.5        0.14672798 0.14672798]
 [0.5        0.85327202 0.14672798]
 [0.5        0.14672798 0.85327202]
 [0.5        0.85327202 0.85327202]
 [0.14672798 0.5        0.14672798]
 [0.14672798 0.5        0.85327202]
 [0.85327202 0.5        0.14672798]
 [0.85327202 0.5        0.85327202]
 [0.14672798 0.14672798 0.5       ]
 [0.85327202 0.14672798 0.5       ]
 [0.14672798 0.85327202 0.5       ]
 [0.85327202 0.85327202 0.5       ]]
cellpar =  Cell([[5.3670758172141735, 2.0460922994864244e-33, 1.1753283610102439e-32], [3.0891152218991106e-32, 5.3670758172141735, -6.40783267403944e-18], [-1.1242365701559468e-32, -6.4078326740394345e-18, 5.3670758172141735]])
forces =  [[-7.76110345e-10 -7.76110345e-10 -7.76110345e-10]
 [ 7.76110345e-10  7.76110345e-10 -7.76110345e-10]
 [ 7.76110345e-10 -7.76110345e-10  7.76110345e-10]
 [-7.76110345e-10  7.76110345e-10  7.76110345e-10]
 [-7.76110345e-10 -7.76110345e-10  7.76110345e-10]
 [ 7.76110345e-10  7.76110345e-10  7.76110345e-10]
 [-7.76110345e-10  7.76110345e-10 -7.76110345e-10]
 [ 7.76110345e-10 -7.76110345e-10 -7.76110345e-10]
 [ 1.76411512e-31  6.22898582e-09  6.22898582e-09]
 [-3.52823024e-31 -6.22898582e-09  6.22898582e-09]
 [-5.67824554e-31  6.22898582e-09 -6.22898582e-09]
 [-2.42565829e-31 -6.22898582e-09 -6.22898582e-09]
 [ 6.22898582e-09 -7.43652719e-27  6.22898582e-09]
 [ 6.22898582e-09  7.43670360e-27 -6.22898582e-09]
 [-6.22898582e-09 -7.43723283e-27  6.22898582e-09]
 [-6.22898582e-09  7.43626257e-27 -6.22898582e-09]
 [ 6.22898582e-09  6.22898582e-09 -7.43661539e-27]
 [-6.22898582e-09  6.22898582e-09 -7.43732104e-27]
 [ 6.22898582e-09 -6.22898582e-09  7.43617436e-27]
 [-6.22898582e-09 -6.22898582e-09  7.43670360e-27]]
stress =  [ 7.11118018e-11  7.11118018e-11  7.11118018e-11 -6.13494315e-28
 -4.56429517e-33  3.91757117e-50]
energy per atom =  -6.335609056850272
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0