element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:19      -58.554296        0.6044
BFGS:    1 15:42:19      -58.569459        0.3610
BFGS:    2 15:42:19      -58.572626        0.3192
BFGS:    3 15:42:19      -58.578025        0.2186
BFGS:    4 15:42:19      -58.582938        0.1686
BFGS:    5 15:42:19      -58.584691        0.0626
BFGS:    6 15:42:19      -58.584980        0.0519
BFGS:    7 15:42:19      -58.585106        0.0457
BFGS:    8 15:42:19      -58.585352        0.0386
BFGS:    9 15:42:19      -58.585588        0.0401
BFGS:   10 15:42:19      -58.585708        0.0189
BFGS:   11 15:42:19      -58.585727        0.0033
BFGS:   12 15:42:19      -58.585728        0.0002
BFGS:   13 15:42:19      -58.585729        0.0000
BFGS:   14 15:42:19      -58.585729        0.0000
BFGS:   15 15:42:19      -58.585729        0.0000
BFGS:   16 15:42:19      -58.585729        0.0000
Minimization converged after 16 steps.
Maximum force component: 7.475474346275882e-10 eV/Angstrom
Maximum stress component: 9.095091339033099e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.15433543e-35 9.37500000e-02]
 [9.54907773e-36 0.00000000e+00 5.93750000e-01]
 [4.05979480e-36 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 5.58012396e-36 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5157111839338127, -1.2372186445743648e-18, 3.46923636030758e-37], [-1.2578555919669063, 2.178669793871307, 5.595861383492984e-37], [2.0977779247368803e-36, 6.722285884881515e-36, 8.216278321269023]])
forces =  [[ 9.09583676e-31 -4.29666856e-31 -2.69713876e-10]
 [-1.24034138e-30  7.87722570e-31 -2.69713876e-10]
 [-6.61515401e-31  2.86444571e-31  2.69713876e-10]
 [ 7.44204826e-31 -7.87722570e-31  2.69713876e-10]
 [-1.03361781e-30  7.87722570e-31 -7.47547435e-10]
 [ 2.48068275e-31 -4.29666856e-31 -7.47547435e-10]
 [ 6.17748146e-31 -4.97082034e-31  7.47547435e-10]
 [-6.61515401e-31  2.86444571e-31  7.47547435e-10]]
stress =  [ 3.68135877e-11  3.68135877e-11  9.09509134e-11  8.26295050e-33
  1.59020557e-33 -8.59550683e-27]
energy per atom =  -7.32321606310969
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0