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_Tersoff_1988_C__MO_579868029681_004
==== 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 18:21:56      -59.162887        0.0656
BFGS:    1 18:21:56      -59.163065        0.0608
BFGS:    2 18:21:56      -59.164153        0.0004
BFGS:    3 18:21:56      -59.164153        0.0000
BFGS:    4 18:21:56      -59.164153        0.0000
Minimization converged after 4 steps.
Maximum force component: 8.528741696850669e-31 eV/Angstrom
Maximum stress component: 1.170465250558092e-11 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([[4.130947641773575, 4.2271125361267236e-33, 4.3339064423326995e-34], [-3.038346831964395e-38, 4.130947641773575, 2.020042035965637e-20], [2.4334681250223514e-33, 2.020042035965811e-20, 4.130947641773575]])
forces =  [[-5.77069090e-31  2.71561925e-31  3.39452406e-31]
 [ 4.41288128e-31  7.80740533e-31  1.44267272e-31]
 [ 5.09178609e-31  1.01835722e-31  3.73397646e-31]
 [-1.35780962e-31  6.40716416e-31  8.14685774e-31]
 [-1.35780962e-31 -3.39452406e-31  1.69726203e-31]
 [-5.09178609e-31  3.39452406e-31  3.39452406e-31]
 [ 8.52874170e-31  1.78212513e-31 -6.11014331e-31]
 [-1.35780962e-31 -8.48631015e-32 -3.39452406e-31]]
stress =  [-1.17046525e-11 -1.17046525e-11 -1.17046525e-11 -2.85056159e-27
  1.92614870e-33  4.08255844e-49]
energy per atom =  -7.395519132241441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0