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 17:14:08      -17.109879        0.8802
BFGS:    1 17:14:08      -17.129483        0.8034
BFGS:    2 17:14:08      -17.185452        0.4578
BFGS:    3 17:14:08      -17.206776        0.0452
BFGS:    4 17:14:08      -17.206959        0.0023
BFGS:    5 17:14:08      -17.206959        0.0003
BFGS:    6 17:14:08      -17.206959        0.0002
BFGS:    7 17:14:08      -17.206959        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.266037211510321e-31 eV/Angstrom
Maximum stress component: 5.077485760622204e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.23539975e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.67632380e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.9035592185082555, -4.893184627482234e-39, 1.0270294180370167e-41], [-2.846776906912873e-39, 4.9035592185082555, -4.5709199930611834e-20], [-4.832957293610636e-39, -2.401414725027223e-20, 2.5678285297317314]])
forces =  [[-1.51102585e-32  3.02205169e-32  1.26603721e-31]
 [-1.51102585e-32  6.04410338e-32  3.16509303e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.51102585e-32 -3.02205169e-32 -7.91273257e-33]]
stress =  [-5.07748576e-10 -5.07748576e-10 -2.73241757e-10 -4.67572592e-26
  1.95782113e-33  1.60449286e-49]
energy per atom =  -4.301739850913293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0