element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3792']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:04:46      -51.203367         0.945499
BFGS:    1 13:04:46      -51.240404         0.882324
BFGS:    2 13:04:46      -51.354693         0.639027
BFGS:    3 13:04:47      -51.431343         0.380343
BFGS:    4 13:04:47      -51.467991         0.105556
BFGS:    5 13:04:47      -51.470916         0.004437
BFGS:    6 13:04:47      -51.470921         0.000049
BFGS:    7 13:04:47      -51.470921         0.000000
BFGS:    8 13:04:48      -51.470921         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.1187983392484956e-30 eV/Angstrom
Maximum stress component: 8.717754157925995e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.27910955e-34 2.56727966e-34 1.28332147e-34]
 [2.56925841e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.00050980e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.60020392e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.279601903818247, 2.4746918784175575e-32, -6.467710115242927e-33], [9.496014341102942e-34, 4.279601903818247, -6.134145255929386e-18], [2.9498700998914392e-33, -6.13414525592939e-18, 4.279601903818247]])
forces =  [[-7.03335548e-32  1.05500332e-31 -7.03335548e-32]
 [ 7.03335548e-32 -7.03335548e-32  1.07732995e-31]
 [ 7.03335548e-32 -7.03335548e-32 -7.47294020e-32]
 [-7.03335548e-32  1.05500332e-31  1.05500332e-31]
 [ 4.22001329e-31  7.56085714e-31 -1.78248129e-30]
 [-6.59377077e-31  6.46189535e-31 -2.11879834e-30]
 [-4.13209635e-31  6.33001993e-31  1.82867243e-30]
 [ 4.92334884e-31  8.44002658e-31  1.54733821e-30]]
stress =  [-8.71775416e-15 -8.71775416e-15 -8.71775416e-15  9.92502602e-32
  8.97330547e-34 -2.81689554e-50]
energy per atom =  -6.433865163222386
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0