element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:30:45      -40.519800         2.057267
BFGS:    1 16:30:45      -40.696346         1.947887
BFGS:    2 16:30:45      -40.974916         1.767573
BFGS:    3 16:30:45      -41.226968         1.594258
BFGS:    4 16:30:45      -41.453529         1.427647
BFGS:    5 16:30:45      -41.655583         1.267464
BFGS:    6 16:30:45      -41.834077         1.113455
BFGS:    7 16:30:45      -41.989916         0.965377
BFGS:    8 16:30:45      -42.123975         0.823005
BFGS:    9 16:30:45      -42.237092         0.686126
BFGS:   10 16:30:45      -42.330077         0.554539
BFGS:   11 16:30:45      -42.403709         0.428055
BFGS:   12 16:30:45      -42.458740         0.306493
BFGS:   13 16:30:45      -42.495895         0.189682
BFGS:   14 16:30:45      -42.515874         0.077459
BFGS:   15 16:30:45      -42.520000         0.002595
BFGS:   16 16:30:45      -42.520005         0.000037
BFGS:   17 16:30:45      -42.520005         0.000000
BFGS:   18 16:30:45      -42.520005         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.12241592739042e-31 eV/Angstrom
Maximum stress component: 1.2820808271259308e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.492968185742457, 7.488395352268085e-33, -7.897500305033946e-33], [-1.1372120008252044e-32, 4.492968185742457, 4.0444856516933e-17], [3.869756486772396e-33, 4.0444856516932964e-17, 4.492968185742457]])
forces =  [[-2.21520434e-31  1.47680290e-31  1.06434866e-31]
 [ 1.47680290e-31 -1.47680290e-31 -1.32939026e-48]
 [-9.23001810e-32 -9.23001810e-33  2.95360579e-31]
 [ 2.21520434e-31  3.32280652e-31 -1.47680290e-31]
 [-5.16881014e-31 -2.21520434e-31 -1.99408538e-48]
 [-2.95360579e-31  1.47680290e-31 -1.47680290e-31]
 [-8.12241593e-31  4.65286589e-48  5.16881014e-31]
 [ 1.47680290e-31 -9.23001810e-32  7.38401448e-32]]
stress =  [-1.28208083e-14 -1.28208083e-14 -1.28208083e-14 -3.90692422e-30
  2.03531915e-34  3.71340296e-50]
energy per atom =  -5.315000584088765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0