element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:27:10      -17.109879         0.880154
BFGS:    1 17:27:10      -17.129483         0.803362
BFGS:    2 17:27:10      -17.185452         0.457789
BFGS:    3 17:27:10      -17.206776         0.045216
BFGS:    4 17:27:10      -17.206959         0.002257
BFGS:    5 17:27:10      -17.206959         0.000264
BFGS:    6 17:27:10      -17.206959         0.000226
BFGS:    7 17:27:10      -17.206959         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.330186057551597e-32 eV/Angstrom
Maximum stress component: 5.077518592166618e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 2.19556014e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [7.83058096e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.90355921850825, -3.079166342442764e-39, -1.0270294180360542e-41], [-3.156413314746976e-38, 4.90355921850825, -4.72658993966961e-19], [4.832957293610635e-39, -2.480045432147658e-19, 2.5678285297317283]])
forces =  [[ 5.95707979e-71 -3.05689201e-51  3.16509303e-32]
 [ 4.59567327e-70 -5.28859046e-32  6.33018606e-32]
 [ 1.51102585e-32  6.04410338e-32 -3.16509303e-32]
 [ 6.04410338e-32 -3.02205169e-32 -1.58254651e-32]]
stress =  [-5.07751859e-10 -5.07751859e-10 -2.73245607e-10 -7.04647256e-27
  8.14619822e-49  1.96356407e-64]
energy per atom =  -4.301739850913291
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0