element(s):
['Ge']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1602', '0.55650944']
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 =  141
cell =  [[5.1602, 0, 0], [0, 5.1602, 0], [0, 0, 2.8717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:09      -13.517050         6.910270
BFGS:    1 16:23:09      -13.809158         4.418175
BFGS:    2 16:23:09      -13.956882         1.227576
BFGS:    3 16:23:09      -13.984932         1.105904
BFGS:    4 16:23:09      -14.039307         0.768673
BFGS:    5 16:23:09      -14.070360         0.377212
BFGS:    6 16:23:09      -14.077280         0.114431
BFGS:    7 16:23:09      -14.077664         0.094012
BFGS:    8 16:23:09      -14.078490         0.069053
BFGS:    9 16:23:09      -14.078929         0.042033
BFGS:   10 16:23:09      -14.079027         0.009380
BFGS:   11 16:23:09      -14.079033         0.000986
BFGS:   12 16:23:09      -14.079033         0.000064
BFGS:   13 16:23:09      -14.079033         0.000003
BFGS:   14 16:23:09      -14.079033         0.000000
BFGS:   15 16:23:09      -14.079033         0.000000
Minimization converged after 15 steps.
Maximum force component: 5.012204382675028e-32 eV/Angstrom
Maximum stress component: 2.0051385570404014e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[2.52881235e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.102912366764322, 2.9607778304622655e-37, -2.0170512652510136e-40], [-4.078687090359966e-39, 5.102912366764323, -1.2745724471669997e-17], [2.364468019616524e-38, -6.827260147719296e-18, 2.681494371616434]])
forces =  [[ 1.57245628e-32  5.01220438e-32 -1.23944887e-32]
 [-1.96557035e-32  1.96557035e-32  1.23944887e-32]
 [-1.96557035e-32 -3.04663404e-32  7.74655546e-33]
 [ 1.17934221e-32 -1.62159554e-32 -8.77942952e-33]]
stress =  [-2.00513856e-11 -2.00513856e-11 -1.41548065e-11 -1.07139482e-28
  1.42342624e-49  2.64463524e-66]
energy per atom =  -3.519758300512696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0