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 17:00:53       -4.766348       22.0137
BFGS:    1 17:00:53       -8.029877       20.5671
BFGS:    2 17:00:53      -10.728425       14.9661
BFGS:    3 17:00:53      -12.455021        8.0508
BFGS:    4 17:00:53      -13.192838        2.0851
BFGS:    5 17:00:53      -13.259112        0.4924
BFGS:    6 17:00:53      -13.263554        0.0606
BFGS:    7 17:00:53      -13.263626        0.0023
BFGS:    8 17:00:53      -13.263626        0.0000
BFGS:    9 17:00:53      -13.263626        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.399351336312863e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.023588537044944, -4.053278867680444e-34, -3.0389340234480465e-33], [1.4937157734261482e-32, 4.023588537044944, 1.233960086102946e-18], [1.1624237272321477e-32, 1.2339600861029268e-18, 4.023588537044944]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.39935134e-10  1.39935134e-10  1.39935134e-10 -1.49235358e-26
 -9.19983612e-34  5.09000247e-50]
energy per atom =  -3.3159064389542414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0