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_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== 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 17:46:02      -95.658084         0.638841
BFGS:    1 17:46:02      -95.669279         0.587577
BFGS:    2 17:46:02      -95.714190         0.312190
BFGS:    3 17:46:02      -95.732020         0.045882
BFGS:    4 17:46:02      -95.732422         0.000900
BFGS:    5 17:46:02      -95.732422         0.000003
BFGS:    6 17:46:02      -95.732422         0.000000
BFGS:    7 17:46:02      -95.732422         0.000000
Minimization converged after 7 steps.
Maximum force component: 5.944574838326279e-09 eV/Angstrom
Maximum stress component: 1.4130970182752147e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.19741242e-35 2.50000000e-01]
 [2.01879599e-35 1.02170334e-34 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([[2.4920489398827055, -2.622824429665046e-18, -3.1869050290584783e-39], [-1.2460244699413527, 2.1581776894125024, 3.6395524041229276e-39], [-2.5568717863516306e-38, 7.450850857718833e-38, 34.42599997163403]])
forces =  [[ 1.63823332e-31 -1.72420304e-49 -2.09502066e-70]
 [-8.19116659e-32  8.62101522e-50  1.04751033e-70]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.33106457e-30  1.77343959e-31  5.94457484e-09]
 [ 1.80205665e-30 -8.51251003e-31  5.94457484e-09]
 [ 1.65871124e-30 -7.44844627e-31 -5.94457484e-09]
 [-1.31058666e-30  1.13500134e-30 -5.94457484e-09]
 [ 6.55293328e-31 -7.09375836e-32  5.94457484e-09]
 [-8.19116659e-31  2.83750334e-31  5.94457484e-09]
 [-1.00341791e-30  6.73907044e-31 -5.94457484e-09]
 [ 1.63823332e-31 -2.83750334e-31 -5.94457484e-09]]
stress =  [ 1.41309702e-10  1.41309702e-10  2.03714975e-20 -8.84800633e-34
  7.66259826e-34 -1.53066758e-26]
energy per atom =  -7.97770186133954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0