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 15:56:37       -6.485894        20.171697
BFGS:    1 15:56:37       -8.769164         9.435952
BFGS:    2 15:56:37       -9.361937         2.097558
BFGS:    3 15:56:37       -9.437327         1.900665
BFGS:    4 15:56:37       -9.653264         0.919084
BFGS:    5 15:56:37       -9.613021         1.409300
BFGS:    6 15:56:37       -9.678059         0.048831
BFGS:    7 15:56:37       -9.678124         0.006604
BFGS:    8 15:56:37       -9.678125         0.000007
BFGS:    9 15:56:37       -9.678125         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.07606842202199e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0700822631742892, 5.918420595205953e-33, 9.291723965189512e-35], [7.083151734693314e-33, 3.0700822631742892, 9.75227355209478e-18], [-7.446968996972958e-34, 9.752273552094773e-18, 3.0700822631742892]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.07606842e-11 -5.07606842e-11 -5.07606842e-11 -1.51488944e-28
 -8.25246158e-60  4.04667443e-59]
energy per atom =  -4.839062375840786
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0