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_1989_SiC__MO_171585019474_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 17:45:58      -88.278462         1.607872
BFGS:    1 17:45:58      -88.349236         1.473613
BFGS:    2 17:45:58      -88.482249         1.188198
BFGS:    3 17:45:58      -88.587181         0.911961
BFGS:    4 17:45:58      -88.664939         0.644671
BFGS:    5 17:45:58      -88.716406         0.386102
BFGS:    6 17:45:58      -88.742443         0.136033
BFGS:    7 17:45:59      -88.746227         0.003492
BFGS:    8 17:45:59      -88.746230         0.000055
BFGS:    9 17:45:59      -88.746230         0.000023
BFGS:   10 17:45:59      -88.746230         0.000005
BFGS:   11 17:45:59      -88.746230         0.000000
BFGS:   12 17:45:59      -88.746230         0.000000
BFGS:   13 17:45:59      -88.746230         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.7221068346253046e-09 eV/Angstrom
Maximum stress component: 1.3899641311379128e-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 4.79013943e-35 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 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, 7.107569166331992e-18, -3.3905093167018124e-38], [-1.2648392346114903, 2.1907658177536327, -7.622227155645225e-38], [6.482452624708665e-36, 2.9574057208171464e-36, 34.42599996569726]])
forces =  [[ 5.82039630e-31 -2.88034918e-31  4.44929450e-69]
 [-6.23613890e-31  2.16026188e-31 -8.29495645e-70]
 [ 6.65188149e-31 -2.88034918e-31 -2.35552250e-47]
 [ 8.31485186e-32  1.44017459e-31 -7.23959772e-69]
 [ 4.98891112e-31  2.88034918e-31 -1.72210683e-09]
 [-2.24501000e-30  4.32052377e-31 -1.72210683e-09]
 [-8.31485186e-31  1.44017459e-30  1.72210683e-09]
 [-4.15742593e-31 -4.32052377e-31  1.72210683e-09]
 [ 4.98891112e-31 -1.72820951e-30 -1.72210683e-09]
 [-2.16186148e-30  2.88034918e-31 -1.72210683e-09]
 [-2.16186148e-30  2.30427934e-30  1.72210683e-09]
 [ 1.49667334e-30  8.64104753e-31  1.72210683e-09]]
stress =  [ 1.38996413e-10  1.38996413e-10  3.14294267e-21 -2.93361010e-32
 -2.50047885e-33 -1.16129129e-26]
energy per atom =  -7.395519132241437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0