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 17:46:03      -88.231959         1.296408
BFGS:    1 17:46:03      -88.277791         1.178552
BFGS:    2 17:46:03      -88.380018         0.867752
BFGS:    3 17:46:03      -88.451694         0.567509
BFGS:    4 17:46:03      -88.493862         0.277545
BFGS:    5 17:46:03      -88.507522         0.009381
BFGS:    6 17:46:03      -88.507538         0.000629
BFGS:    7 17:46:03      -88.507538         0.000340
BFGS:    8 17:46:03      -88.507538         0.000031
BFGS:    9 17:46:03      -88.507538         0.000005
BFGS:   10 17:46:03      -88.507538         0.000000
BFGS:   11 17:46:03      -88.507538         0.000000
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 =  [[8.21900752e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 9.24436753e-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, 5.371411136177755e-40], [-1.2563243092675356, 2.176017534435247, -4.187580069916291e-39], [-2.6114093902453265e-41, 1.5805730903247186e-35, 34.42599995975988]])
forces =  [[ 1.65177522e-031 -2.99231338e-049  5.44824378e-065]
 [ 4.13280246e-107 -2.50140648e-101 -5.44824025e-065]
 [-9.08476371e-031  7.15239651e-031  5.44809201e-065]
 [-1.32142018e-030  8.58287581e-031 -5.44842307e-065]
 [-2.06471902e-030  1.28743137e-030 -5.91086913e-009]
 [ 6.81357278e-031 -3.57619825e-032 -5.91086913e-009]
 [ 7.43298849e-031 -1.28743137e-030  5.91086913e-009]
 [-1.03235951e-030  6.43715686e-031  5.91086913e-009]
 [-8.25887610e-031  2.86095860e-031 -5.91086913e-009]
 [ 4.33590995e-031 -7.51001633e-031 -5.91086913e-009]
 [ 7.43298849e-031 -1.43047930e-031  5.91086913e-009]
 [-3.09707854e-030  7.86763616e-031  5.91086913e-009]]
stress =  [ 2.98634347e-11  2.98634347e-11  4.71600038e-20  6.14282684e-33
 -1.36795991e-32  2.35500884e-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