element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:30:29      -88.231959        1.2964
BFGS:    1 14:30:29      -88.277791        1.1786
BFGS:    2 14:30:29      -88.380018        0.8678
BFGS:    3 14:30:29      -88.451694        0.5675
BFGS:    4 14:30:29      -88.493862        0.2775
BFGS:    5 14:30:29      -88.507522        0.0094
BFGS:    6 14:30:29      -88.507538        0.0006
BFGS:    7 14:30:29      -88.507538        0.0003
BFGS:    8 14:30:29      -88.507538        0.0000
BFGS:    9 14:30:29      -88.507538        0.0000
BFGS:   10 14:30:29      -88.507538        0.0000
BFGS:   11 14:30:29      -88.507538        0.0000
Minimization converged after 11 steps.
Maximum force component: 5.910869125930229e-09 eV/Angstrom
Maximum stress component: 2.9863434721186573e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.21227960e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.99912442e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.512648618535071, -4.551849425797058e-18, 1.0488234112359875e-40], [-1.2563243092675356, 2.176017534435247, -3.5619082249468843e-41], [9.688528060197165e-39, -1.0218029970395522e-38, 34.42599995975988]])
forces =  [[ 1.65177522e-31 -2.99231338e-49 -2.04308940e-65]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.08476371e-31  7.15239651e-31 -2.04309333e-65]
 [-1.32142018e-30  8.58287581e-31 -4.85232418e-71]
 [-2.06471902e-30  1.28743137e-30 -5.91086913e-09]
 [ 6.81357278e-31 -3.57619825e-32 -5.91086913e-09]
 [ 7.43298849e-31 -1.28743137e-30  5.91086913e-09]
 [-1.03235951e-30  6.43715686e-31  5.91086913e-09]
 [-8.25887610e-31  2.86095860e-31 -5.91086913e-09]
 [ 4.33590995e-31 -7.51001633e-31 -5.91086913e-09]
 [ 7.43298849e-31 -1.43047930e-31  5.91086913e-09]
 [-3.09707854e-30  7.86763616e-31  5.91086913e-09]]
stress =  [ 2.98634347e-11  2.98634347e-11  4.71600038e-20  6.14282684e-33
 -1.36795991e-32  2.21206643e-27]
energy per atom =  -7.375628139804146
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0