element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:10      -40.501923         2.719244
BFGS:    1 17:26:10      -40.804170         2.469407
BFGS:    2 17:26:10      -41.151309         2.161657
BFGS:    3 17:26:10      -41.453413         1.868837
BFGS:    4 17:26:10      -41.712674         1.590304
BFGS:    5 17:26:10      -41.931188         1.325447
BFGS:    6 17:26:10      -42.110963         1.073684
BFGS:    7 17:26:10      -42.253921         0.834461
BFGS:    8 17:26:10      -42.361902         0.607249
BFGS:    9 17:26:10      -42.436671         0.391543
BFGS:   10 17:26:10      -42.479916         0.186862
BFGS:   11 17:26:10      -42.493245         0.009236
BFGS:   12 17:26:10      -42.493278         0.000234
BFGS:   13 17:26:10      -42.493278         0.000000
BFGS:   14 17:26:11      -42.493278         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.063131046978771e-31 eV/Angstrom
Maximum stress component: 1.0134572254847202e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.401107047362392, -1.2620841798978982e-32, 1.6289371915234136e-33], [7.711724805263142e-33, 4.401107047362392, 7.876282202108022e-18], [4.46725340278881e-33, 7.876282202108025e-18, 4.401107047362392]])
forces =  [[ 7.23304435e-32  1.44660887e-31  1.44660887e-31]
 [ 2.89321774e-31  1.44660887e-31  6.53282967e-32]
 [ 3.61652218e-32  4.52065272e-32 -1.08495665e-31]
 [-2.35073941e-31 -7.23304435e-32 -1.80826109e-31]
 [-1.08495665e-31 -3.61652218e-31  2.71239163e-32]
 [ 4.25407384e-64  1.44660887e-31  1.69383381e-31]
 [ 3.25486996e-31 -6.47217824e-49 -3.61652218e-31]
 [-3.25486996e-31 -3.97817439e-31 -5.06313105e-31]]
stress =  [-1.01345723e-12 -1.01345723e-12 -1.01345723e-12 -1.65914551e-29
  0.00000000e+00 -4.32276226e-61]
energy per atom =  -5.311659793617389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0