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:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 16:34:47      -58.920055         0.520585
BFGS:    1 16:34:47      -58.931185         0.477240
BFGS:    2 16:34:47      -58.981396         0.194822
BFGS:    3 16:34:47      -58.991874         0.008888
BFGS:    4 16:34:47      -58.991897         0.000177
BFGS:    5 16:34:47      -58.991897         0.000000
BFGS:    6 16:34:47      -58.991897         0.000000
Minimization converged after 6 steps.
Maximum force component: 5.485949112912137e-31 eV/Angstrom
Maximum stress component: 3.4559059550614365e-13 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([[4.172560011482756, -1.0061919386259614e-37, 1.6149868933281052e-33], [1.5020186209990476e-38, 4.172560011482756, -4.695363922084445e-19], [4.497539025846684e-34, -4.695363922084445e-19, 4.172560011482756]])
forces =  [[-3.60718566e-31 -6.85743639e-32  7.71664382e-51]
 [-7.39140305e-66  3.42871820e-32 -6.85743639e-32]
 [ 1.37148728e-31  5.78748287e-50 -5.14307729e-31]
 [ 2.40010274e-31 -5.48594911e-31  6.17331506e-50]
 [-6.93054347e-66 -2.74297456e-31 -6.42884662e-32]
 [-2.40010274e-31  5.78772748e-69 -9.28958350e-65]
 [ 2.31009887e-66  6.85743639e-32  2.14294887e-32]
 [ 2.05723092e-31  6.85743639e-32 -2.74297456e-31]]
stress =  [-3.45590596e-13 -3.45590596e-13 -3.45590596e-13  1.37445422e-32
 -1.42755679e-62  1.37629255e-67]
energy per atom =  -7.373987068939558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0