element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:32      -29.158876        2.5022
BFGS:    1 15:23:32      -29.312331        1.7994
BFGS:    2 15:23:32      -29.446527        0.9002
BFGS:    3 15:23:32      -29.495397        0.0916
BFGS:    4 15:23:32      -29.495946        0.0054
BFGS:    5 15:23:32      -29.495948        0.0000
BFGS:    6 15:23:32      -29.495948        0.0000
BFGS:    7 15:23:32      -29.495948        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.007833206113229e-30 eV/Angstrom
Maximum stress component: 4.532575144243832e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.85406851e-37 2.50000000e-01]
 [2.03576029e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5551607373187513, -1.1933263601183692e-17, 8.872502997447097e-41], [-1.2775803686593756, 2.212834109270615, 1.7745005996604562e-40], [-1.9897822648244434e-37, -5.744006360934761e-37, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.00783321e-30 -5.81872773e-31 -2.33305692e-71]
 [-1.00783321e-30  5.81872773e-31  2.33305692e-71]]
stress =  [-4.53257514e-15 -4.53257514e-15  6.88601917e-54 -1.60424627e-32
 -3.08737339e-33 -2.29186801e-32]
energy per atom =  -7.373987068939558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0