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:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== 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 16:25:37      -17.109879         0.880154
BFGS:    1 16:25:37      -17.129483         0.803362
BFGS:    2 16:25:37      -17.185452         0.457789
BFGS:    3 16:25:37      -17.206776         0.045216
BFGS:    4 16:25:37      -17.206959         0.002257
BFGS:    5 16:25:37      -17.206959         0.000264
BFGS:    6 16:25:37      -17.206959         0.000226
BFGS:    7 16:25:37      -17.206959         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.0577180911943426e-31 eV/Angstrom
Maximum stress component: 5.079116633183086e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.65838765e-32 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.32957521e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.903559216182, -4.112898013938863e-37, -3.606044115749856e-39], [-2.2540792978310833e-37, 4.903559216181999, 8.182909919209646e-19], [1.5531148703898131e-37, 4.350138046876478e-19, 2.5678285290190916]])
forces =  [[ 3.02205169e-32  9.06615507e-32  7.91273257e-33]
 [ 5.28859046e-32 -1.51102584e-32  1.18690989e-32]
 [ 1.51102584e-32  1.05771809e-31  1.18690989e-32]
 [ 4.53307753e-32  1.51102584e-32 -7.91273257e-33]]
stress =  [-5.07911663e-10 -5.07911663e-10 -2.73105756e-10 -3.68372425e-26
  2.61905355e-47 -6.78131059e-64]
energy per atom =  -4.301739852203324
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0