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:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 15:28:34      -36.079239        13.889229
BFGS:    1 15:28:34      -37.221101         3.057804
BFGS:    2 15:28:34      -37.322739         1.868691
BFGS:    3 15:28:34      -37.420607         1.284923
BFGS:    4 15:28:34      -37.642964         1.741778
BFGS:    5 15:28:34      -37.911116         1.825433
BFGS:    6 15:28:34      -38.191684         1.918731
BFGS:    7 15:28:34      -38.487282         2.022904
BFGS:    8 15:28:34      -38.798184         2.119582
BFGS:    9 15:28:34      -39.121775         2.188569
BFGS:   10 15:28:34      -39.452268         2.207754
BFGS:   11 15:28:34      -39.780413         2.153115
BFGS:   12 15:28:34      -40.093224         1.998869
BFGS:   13 15:28:34      -40.373738         1.717890
BFGS:   14 15:28:34      -40.600870         1.282512
BFGS:   15 15:28:34      -40.749419         0.665744
BFGS:   16 15:28:34      -40.790274         0.157320
BFGS:   17 15:28:34      -40.792265         0.017015
BFGS:   18 15:28:34      -40.792290         0.000364
BFGS:   19 15:28:34      -40.792290         0.000001
BFGS:   20 15:28:34      -40.792290         0.000000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.488449464379466e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.5 0.5 0.5]
 [0.5 0.  0. ]
 [0.  0.5 0. ]
 [0.  0.  0.5]]
cellpar =  Cell([[4.426526897510747, -9.607260666172582e-33, 9.358638843469931e-33], [-9.861945992600349e-33, 4.426526897510747, -5.6971961439135185e-18], [3.6939859901338484e-33, -5.697196143913514e-18, 4.426526897510747]])
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 =  [-4.48844946e-12 -4.48844946e-12 -4.48844946e-12 -5.27965852e-28
  4.19375433e-34  3.54945013e-50]
energy per atom =  -5.099036200264365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0