element(s):
['Ge']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7441']
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 =  227
cell =  [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:28:05      -30.717611        0.4654
BFGS:    1 17:28:05      -30.726657        0.4418
BFGS:    2 17:28:05      -30.779290        0.2579
BFGS:    3 17:28:05      -30.803407        0.0615
BFGS:    4 17:28:05      -30.804794        0.0027
BFGS:    5 17:28:05      -30.804797        0.0000
BFGS:    6 17:28:05      -30.804797        0.0000
BFGS:    7 17:28:05      -30.804797        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.0917438203093007e-31 eV/Angstrom
Maximum stress component: 2.12056610979418e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 1.09162451e-33 8.14424772e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.83071722e-34]
 [5.00000000e-01 4.55373230e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.656747326589386, 2.0085314146342466e-33, -5.381222276544148e-33], [2.446870148295009e-34, 5.656747326589386, -2.949669416704372e-19], [-1.0360590707063843e-32, -2.949669416704264e-19, 5.656747326589386]])
forces =  [[-8.13455930e-32 -6.97247940e-32  2.32415980e-32]
 [-9.63667823e-66  2.32415980e-32  5.81039950e-33]
 [ 1.27828789e-31  1.04587191e-31  6.97247940e-32]
 [ 6.97247940e-32 -2.03363983e-32 -1.24923589e-31]
 [-2.32415980e-32  5.81039950e-32 -8.13455930e-32]
 [ 8.13455930e-32 -8.13455930e-32  5.81039950e-32]
 [ 5.81039950e-32 -8.13455930e-32  7.55351935e-32]
 [ 8.13455930e-32  2.09174382e-31  1.04587191e-31]]
stress =  [-2.12056611e-15 -2.12056611e-15 -2.12056611e-15  1.44062743e-30
  5.13600734e-34 -1.02053387e-49]
energy per atom =  -3.850599574485628
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0