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_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000
==== 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       -5.361890       26.9214
BFGS:    1 17:00:53       -9.630083       28.9760
BFGS:    2 17:00:53      -13.792917       25.8230
BFGS:    3 17:00:53      -17.220449       19.5364
BFGS:    4 17:00:53      -19.599729       12.1459
BFGS:    5 17:00:53      -20.881319        5.0671
BFGS:    6 17:00:53      -21.178397        0.7676
BFGS:    7 17:00:53      -21.192225        0.6749
BFGS:    8 17:00:53      -21.236393        0.0604
BFGS:    9 17:00:53      -21.236715        0.0042
BFGS:   10 17:00:53      -21.236717        0.0000
BFGS:   11 17:00:53      -21.236717        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.552783248551183e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.7349128e-33 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9048084410267947, 2.099864952911346e-32, 1.3939410710626616e-32], [1.8830526181248652e-32, 3.9048084410267947, 8.410258618969251e-17], [-3.287447235605739e-32, 8.410258618969254e-17, 3.9048084410267947]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.55278325e-10 -5.55278325e-10 -5.55278325e-10  7.34798993e-26
  1.05680166e-33 -8.87870490e-50]
energy per atom =  -5.3091791912781465
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0