element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:58      -57.433929         0.212072
BFGS:    1 17:28:59      -57.435270         0.248897
BFGS:    2 17:28:59      -57.436604         0.227616
BFGS:    3 17:28:59      -57.441283         0.065835
BFGS:    4 17:28:59      -57.441437         0.061580
BFGS:    5 17:28:59      -57.441810         0.045930
BFGS:    6 17:28:59      -57.442238         0.067242
BFGS:    7 17:28:59      -57.442672         0.054932
BFGS:    8 17:28:59      -57.442814         0.020068
BFGS:    9 17:28:59      -57.442831         0.002370
BFGS:   10 17:28:59      -57.442832         0.000125
BFGS:   11 17:28:59      -57.442832         0.000013
BFGS:   12 17:28:59      -57.442832         0.000000
BFGS:   13 17:28:59      -57.442832         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.794948061072907e-09 eV/Angstrom
Maximum stress component: 4.878778210662218e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.82051729 0.82051729 0.        ]
 [0.17948271 0.17948271 0.        ]
 [0.17948271 0.82051729 0.        ]
 [0.82051729 0.17948271 0.        ]
 [0.32051729 0.32051729 0.5       ]
 [0.67948271 0.67948271 0.5       ]
 [0.67948271 0.32051729 0.5       ]
 [0.32051729 0.67948271 0.5       ]]
cellpar =  Cell([[4.385691134230861, -5.323252737342614e-36, -3.335794884255173e-36], [-2.137904015403607e-36, 4.3856911342308615, -7.981191781661162e-19], [2.642203362002169e-33, -4.509228543470786e-19, 2.4888892272936243]])
forces =  [[-2.79494806e-09 -2.79494806e-09  5.08754437e-28]
 [ 2.79494806e-09  2.79494806e-09 -5.08624056e-28]
 [ 2.79494806e-09 -2.79494806e-09  5.08570370e-28]
 [-2.79494806e-09  2.79494806e-09 -5.08447658e-28]
 [-2.79494806e-09 -2.79494806e-09  5.08838802e-28]
 [ 2.79494806e-09  2.79494806e-09 -5.08570370e-28]
 [ 2.79494806e-09 -2.79494806e-09  5.08509014e-28]
 [-2.79494806e-09  2.79494806e-09 -5.08754437e-28]]
stress =  [-2.76473930e-10 -2.76473930e-10  4.87877821e-10 -1.00959142e-25
  4.60308693e-43 -5.65817045e-59]
energy per atom =  -7.1803539898673066
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0