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 09:47:33      -13.517050         6.910270
BFGS:    1 09:47:33      -13.809158         4.418175
BFGS:    2 09:47:33      -13.956882         1.227576
BFGS:    3 09:47:33      -13.984932         1.105904
BFGS:    4 09:47:33      -14.039307         0.768673
BFGS:    5 09:47:33      -14.070360         0.377212
BFGS:    6 09:47:33      -14.077280         0.114431
BFGS:    7 09:47:33      -14.077664         0.094012
BFGS:    8 09:47:33      -14.078490         0.069053
BFGS:    9 09:47:33      -14.078929         0.042033
BFGS:   10 09:47:33      -14.079027         0.009380
BFGS:   11 09:47:33      -14.079033         0.000986
BFGS:   12 09:47:33      -14.079033         0.000064
BFGS:   13 09:47:33      -14.079033         0.000003
BFGS:   14 09:47:33      -14.079033         0.000000
BFGS:   15 09:47:33      -14.079033         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.7738950646023756e-31 eV/Angstrom
Maximum stress component: 2.0050777149197518e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 5.94652353e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.43290983e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.14168884e-33 7.50000000e-01]]
cellpar =  Cell([[5.102912366764323, 4.781158038164546e-36, -2.0170512652504846e-40], [-1.9813208381152067e-36, 5.102912366764325, -9.27577448790507e-19], [2.3644680196165216e-38, -5.055496658424246e-19, 2.6814943716164357]])
forces =  [[ 1.88694753e-31  2.43730723e-31 -4.43039398e-50]
 [ 1.25796502e-31 -3.77389506e-31  6.85996487e-50]
 [ 1.28213740e-67 -3.30215818e-31  6.00246926e-50]
 [-6.28982511e-32  1.88694753e-31 -3.42998243e-50]]
stress =  [-2.00507771e-11 -2.00507771e-11 -1.41536814e-11 -6.69020243e-29
 -5.62996218e-35 -7.20038109e-53]
energy per atom =  -3.5197583005126947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0