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 17:17:39      -57.433929        0.2121
BFGS:    1 17:17:39      -57.435270        0.2489
BFGS:    2 17:17:39      -57.436604        0.2276
BFGS:    3 17:17:39      -57.441283        0.0658
BFGS:    4 17:17:39      -57.441437        0.0616
BFGS:    5 17:17:39      -57.441810        0.0459
BFGS:    6 17:17:39      -57.442238        0.0672
BFGS:    7 17:17:39      -57.442672        0.0549
BFGS:    8 17:17:39      -57.442814        0.0201
BFGS:    9 17:17:39      -57.442831        0.0024
BFGS:   10 17:17:39      -57.442832        0.0001
BFGS:   11 17:17:39      -57.442832        0.0000
BFGS:   12 17:17:39      -57.442832        0.0000
BFGS:   13 17:17:39      -57.442832        0.0000
Minimization converged after 13 steps.
Maximum force component: 2.794969640966688e-09 eV/Angstrom
Maximum stress component: 4.878780000014447e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.20517286e-01 8.20517286e-01 1.45089569e-34]
 [1.79482714e-01 1.79482714e-01 2.90179137e-35]
 [1.79482714e-01 8.20517286e-01 1.54762207e-34]
 [8.20517286e-01 1.79482714e-01 2.65997543e-35]
 [3.20517286e-01 3.20517286e-01 5.00000000e-01]
 [6.79482714e-01 6.79482714e-01 5.00000000e-01]
 [6.79482714e-01 3.20517286e-01 5.00000000e-01]
 [3.20517286e-01 6.79482714e-01 5.00000000e-01]]
cellpar =  Cell([[4.385691134230859, -1.8242177357376638e-36, -6.33881793740493e-34], [5.378119165078291e-37, 4.385691134230859, -2.1116540402160634e-19], [-5.622437600536441e-33, -1.2537805764939189e-19, 2.4888892272936247]])
forces =  [[-2.79496964e-09 -2.79496964e-09  1.34574204e-28]
 [ 2.79496964e-09  2.79496964e-09 -1.34543526e-28]
 [ 2.79496964e-09 -2.79496964e-09  1.34574204e-28]
 [-2.79496964e-09  2.79496964e-09 -1.34543526e-28]
 [-2.79496964e-09 -2.79496964e-09  1.34666238e-28]
 [ 2.79496964e-09  2.79496964e-09 -1.34666238e-28]
 [ 2.79496964e-09 -2.79496964e-09  1.34574204e-28]
 [-2.79496964e-09  2.79496964e-09 -1.34574204e-28]]
stress =  [-2.76478044e-10 -2.76478044e-10  4.87878000e-10 -9.22376331e-26
 -9.79516507e-43  2.14499702e-58]
energy per atom =  -7.180353989867303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0