element(s):
['Ge']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3628']
model name:
Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3628, 0, 0], [0, 3.3628, 0], [0, 0, 3.3628]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:21       -6.485894       20.1717
BFGS:    1 17:55:21       -8.769164        9.4360
BFGS:    2 17:55:21       -9.361937        2.0976
BFGS:    3 17:55:21       -9.437327        1.9007
BFGS:    4 17:55:21       -9.653264        0.9191
BFGS:    5 17:55:21       -9.613021        1.4093
BFGS:    6 17:55:21       -9.678059        0.0488
BFGS:    7 17:55:21       -9.678124        0.0066
BFGS:    8 17:55:21       -9.678125        0.0000
BFGS:    9 17:55:21       -9.678125        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.0763982315291444e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0700822631742883, 1.2161280907187196e-33, 4.361575821397083e-33], [5.074278175958015e-33, 3.0700822631742883, 7.835407930911776e-18], [2.419910350702887e-34, 7.835407930911777e-18, 3.0700822631742883]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.07639823e-11 -5.07639823e-11 -5.07639823e-11 -1.39640133e-28
  1.60493018e-60 -6.30524644e-60]
energy per atom =  -4.8390623758407685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0