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_Tersoff_1988_C__MO_579868029681_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 17:46:02      -88.278462         1.607872
BFGS:    1 17:46:02      -88.349236         1.473613
BFGS:    2 17:46:02      -88.482249         1.188198
BFGS:    3 17:46:02      -88.587181         0.911961
BFGS:    4 17:46:02      -88.664939         0.644671
BFGS:    5 17:46:02      -88.716406         0.386102
BFGS:    6 17:46:02      -88.742443         0.136033
BFGS:    7 17:46:03      -88.746227         0.003492
BFGS:    8 17:46:03      -88.746230         0.000055
BFGS:    9 17:46:03      -88.746230         0.000023
BFGS:   10 17:46:03      -88.746230         0.000005
BFGS:   11 17:46:03      -88.746230         0.000000
BFGS:   12 17:46:03      -88.746230         0.000000
BFGS:   13 17:46:03      -88.746230         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.722008727485764e-09 eV/Angstrom
Maximum stress component: 1.3899559682272503e-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 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 8.15225346e-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([[2.5296784692229806, -4.0054382111288755e-19, -3.0687230211973835e-40], [-1.2648392346114903, 2.1907658177536318, 1.2974574693973059e-37], [3.9580723520234985e-37, -1.229299056905244e-35, 34.42599996569726]])
forces =  [[-8.31485186e-32  1.44017459e-31  8.52927895e-69]
 [ 1.66297037e-31 -2.63311134e-50 -2.01732968e-71]
 [-5.61252501e-31  3.96048012e-31  2.17953106e-64]
 [ 5.82039630e-31 -4.32052377e-31 -2.17955238e-64]
 [-4.15742593e-30  4.32052377e-30 -1.72200873e-09]
 [ 6.65188149e-30 -2.30427934e-30 -1.72200873e-09]
 [ 4.15742593e-30 -4.32052377e-30  1.72200873e-09]
 [-6.65188149e-30  2.30427934e-30  1.72200873e-09]
 [-2.49445556e-30 -8.64104753e-31 -1.72200873e-09]
 [ 4.98891112e-30 -1.72820951e-30 -1.72200873e-09]
 [ 3.82483186e-30 -3.74445393e-30  1.72200873e-09]
 [-4.98891112e-30  1.72820951e-30  1.72200873e-09]]
stress =  [ 1.38995597e-10  1.38995597e-10  3.14254693e-21  4.96331665e-47
 -1.59808061e-48 -6.85531598e-26]
energy per atom =  -7.395519132241431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0