element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:26      -15.371123         2.020898
BFGS:    1 16:40:27      -15.470543         0.131372
BFGS:    2 16:40:27      -15.470845         0.031926
BFGS:    3 16:40:27      -15.470863         0.000322
BFGS:    4 16:40:27      -15.470863         0.000001
BFGS:    5 16:40:27      -15.470863         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2853975558208427e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 6.1768395e-36]]
cellpar =  Cell([[3.8974825725852407, -2.640338970396656e-34, -3.7039811076844246e-33], [-3.162523639128387e-33, 3.8974825725852407, 2.27811064657939e-19], [2.9217817864778337e-33, 2.278110646579332e-19, 3.8974825725852407]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.28539756e-12 1.28539756e-12 1.28539756e-12 1.56650284e-29
 1.58187726e-61 3.20666541e-62]
energy per atom =  -3.867715818893447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0