element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:27:12      -58.961992        0.0890
BFGS:    1 17:27:12      -58.962318        0.0819
BFGS:    2 17:27:12      -58.964114        0.0007
BFGS:    3 17:27:12      -58.964114        0.0000
BFGS:    4 17:27:12      -58.964114        0.0000
Minimization converged after 4 steps.
Maximum force component: 1.3791520124852737e-31 eV/Angstrom
Maximum stress component: 7.291424729053071e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.   0.5 ]
 [0.75 0.25 0.75]
 [0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[3.5656265536278533, 2.617268270369628e-34, -1.5695987159147027e-35], [-2.751581790703211e-33, 3.5656265536278533, 1.4551539009428005e-18], [-1.996881881959529e-34, 1.4551539009428005e-18, 3.5656265536278533]])
forces =  [[-1.46499135e-32 -8.78994810e-32 -5.53949854e-32]
 [-1.46499135e-32  2.28904898e-33  7.32495675e-33]
 [-8.05745242e-32  4.30341209e-32 -4.76122189e-32]
 [ 1.46499135e-32 -8.05745242e-32  1.46499135e-32]
 [-3.74973941e-65  5.85996540e-32 -1.37915201e-31]
 [-4.39497405e-32  1.24524265e-31 -2.92998270e-32]
 [ 1.09874351e-32 -7.87432850e-32 -1.83123919e-32]
 [ 5.12746972e-32 -5.12746972e-32 -1.46499135e-32]]
stress =  [ 7.29142473e-11  7.29142473e-11  7.29142473e-11 -1.03984803e-27
  9.69502088e-34 -2.28664894e-50]
energy per atom =  -7.370514209744441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0