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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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      -87.479059         2.498997
BFGS:    1 17:46:02      -87.648895         2.259314
BFGS:    2 17:46:02      -87.858436         1.933363
BFGS:    3 17:46:02      -88.035937         1.618492
BFGS:    4 17:46:02      -88.182493         1.314394
BFGS:    5 17:46:02      -88.299165         1.020771
BFGS:    6 17:46:02      -88.386987         0.737330
BFGS:    7 17:46:02      -88.446961         0.463788
BFGS:    8 17:46:02      -88.480065         0.199869
BFGS:    9 17:46:02      -88.487836         0.006238
BFGS:   10 17:46:02      -88.487844         0.000235
BFGS:   11 17:46:02      -88.487844         0.000180
BFGS:   12 17:46:02      -88.487844         0.000066
BFGS:   13 17:46:02      -88.487844         0.000025
BFGS:   14 17:46:02      -88.487844         0.000004
BFGS:   15 17:46:02      -88.487844         0.000000
BFGS:   16 17:46:02      -88.487844         0.000000
BFGS:   17 17:46:02      -88.487844         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.531086004054111e-10 eV/Angstrom
Maximum stress component: 1.3139396670683553e-11 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]
 [4.11556538e-35 2.67612884e-34 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([[2.5551607403904733, -1.7675787840365517e-18, -2.7518561231491473e-39], [-1.2775803701952366, 2.212834111930805, -5.5022542057707755e-37], [-9.967103236041326e-37, -2.0598379926081614e-35, 34.42599998303582]])
forces =  [[-9.23847107e-31  4.36404580e-31 -4.34312818e-49]
 [ 9.23847107e-31 -4.36404580e-31  1.07789220e-67]
 [ 4.61923553e-31 -2.18202290e-31  2.17983505e-64]
 [-5.03916604e-31  2.90936387e-31 -7.19800819e-68]
 [-3.39881251e-31  8.79627982e-31 -5.53108600e-10]
 [-1.84769421e-30  2.03655471e-30 -5.53108600e-10]
 [ 1.01144199e-30  2.84685800e-31  5.53108600e-10]
 [ 1.84769421e-30  2.90936387e-31  5.53108600e-10]
 [-1.35165131e-31 -5.68235130e-32 -5.53108600e-10]
 [-3.35944402e-31 -5.81872774e-31 -5.53108600e-10]
 [ 1.36477413e-31  5.45505725e-32  5.53108600e-10]
 [ 3.35944402e-31  5.81872774e-31  5.53108600e-10]]
stress =  [-1.31393967e-11 -1.31393967e-11  7.78931190e-22  2.15736572e-33
  7.47333409e-34 -5.05438848e-28]
energy per atom =  -7.373986988501173
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0