element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:57:21      -25.348983         0.349848
BFGS:    1 12:57:21      -25.352137         0.255241
BFGS:    2 12:57:21      -25.354445         0.135413
BFGS:    3 12:57:21      -25.355911         0.107734
BFGS:    4 12:57:21      -25.356598         0.044181
BFGS:    5 12:57:21      -25.356667         0.012530
BFGS:    6 12:57:21      -25.356676         0.010985
BFGS:    7 12:57:21      -25.356685         0.010536
BFGS:    8 12:57:21      -25.356693         0.006585
BFGS:    9 12:57:21      -25.356696         0.002630
BFGS:   10 12:57:21      -25.356696         0.000359
BFGS:   11 12:57:21      -25.356696         0.000023
BFGS:   12 12:57:21      -25.356696         0.000001
BFGS:   13 12:57:21      -25.356696         0.000000
BFGS:   14 12:57:21      -25.356696         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.13965425774643e-10 eV/Angstrom
Maximum stress component: 1.3052049162401988e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000002e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.0825103848374553, 1.5445482232978517e-19, -4.5255946140753185e-38], [-1.5412551924187277, 2.669532300698583, -3.4421374543530745e-38], [8.424608515751385e-37, -6.178225048367313e-37, 5.033718379831813]])
forces =  [[ 9.11876975e-31 -1.75490806e-31 -5.13964607e-10]
 [-1.01319664e-30  3.50981611e-31 -5.13964607e-10]
 [-1.01319664e-31  1.75490806e-31  5.13965426e-10]
 [ 8.60190654e-47 -6.30824736e-47  5.13965426e-10]]
stress =  [-1.30520492e-11 -1.30520492e-11 -1.00085922e-11  3.60865162e-47
  1.51672624e-47 -1.00074290e-27]
energy per atom =  -6.339174030322801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0