element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.058']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.058, 0, 0], [0, 4.058, 0], [0, 0, 4.058]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:21:31      -36.079239       13.8892
BFGS:    1 14:21:31      -37.221101        3.0578
BFGS:    2 14:21:31      -37.322739        1.8687
BFGS:    3 14:21:31      -37.420607        1.2849
BFGS:    4 14:21:31      -37.642964        1.7418
BFGS:    5 14:21:31      -37.911116        1.8254
BFGS:    6 14:21:31      -38.191684        1.9187
BFGS:    7 14:21:31      -38.487282        2.0229
BFGS:    8 14:21:31      -38.798184        2.1196
BFGS:    9 14:21:31      -39.121775        2.1886
BFGS:   10 14:21:31      -39.452268        2.2078
BFGS:   11 14:21:31      -39.780413        2.1531
BFGS:   12 14:21:31      -40.093224        1.9989
BFGS:   13 14:21:31      -40.373738        1.7179
BFGS:   14 14:21:31      -40.600870        1.2825
BFGS:   15 14:21:31      -40.749419        0.6657
BFGS:   16 14:21:31      -40.790274        0.1573
BFGS:   17 14:21:31      -40.792265        0.0170
BFGS:   18 14:21:31      -40.792290        0.0004
BFGS:   19 14:21:31      -40.792290        0.0000
BFGS:   20 14:21:31      -40.792290        0.0000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.485620164874957e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.85489287e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [3.09148812e-48 5.00000000e-01 1.74035309e-34]
 [0.00000000e+00 5.22105928e-34 5.00000000e-01]]
cellpar =  Cell([[4.4265268975107475, -4.113736674630266e-33, 3.5622154426845006e-32], [2.7563160303295287e-32, 4.4265268975107475, 8.282164933216891e-18], [8.076469011890249e-33, 8.282164933216952e-18, 4.4265268975107475]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.48562016e-12 -4.48562016e-12 -4.48562016e-12 -5.60367432e-28
  7.86328936e-35  3.73989650e-51]
energy per atom =  -5.099036200264364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0