element(s):
['Ge']
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:
['4.2619']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2619, 0, 0], [0, 4.2619, 0], [0, 0, 4.2619]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:20:55       -4.766348        22.013683
BFGS:    1 16:20:55       -8.029877        20.567074
BFGS:    2 16:20:55      -10.728425        14.966055
BFGS:    3 16:20:55      -12.455021         8.050752
BFGS:    4 16:20:55      -13.192838         2.085065
BFGS:    5 16:20:55      -13.259112         0.492361
BFGS:    6 16:20:55      -13.263554         0.060621
BFGS:    7 16:20:55      -13.263626         0.002337
BFGS:    8 16:20:55      -13.263626         0.000012
BFGS:    9 16:20:55      -13.263626         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3993345125236648e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.19664941e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.39329883e-35]]
cellpar =  Cell([[4.023588537044943, -1.6960161524360795e-32, 6.309956107779412e-33], [-2.1075864164229742e-33, 4.023588537044943, -1.7328589995571084e-18], [-1.9326766841986942e-32, -1.7328589995570772e-18, 4.023588537044943]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.39933451e-10  1.39933451e-10  1.39933451e-10  7.07767069e-27
 -1.26894291e-34  6.31608281e-51]
energy per atom =  -3.315906438954243
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0