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_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000
==== 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 16:26:47      -33.430712         1.023332
BFGS:    1 16:26:47      -33.474565         0.976331
BFGS:    2 16:26:47      -33.608542         0.808072
BFGS:    3 16:26:47      -33.716383         0.627742
BFGS:    4 16:26:47      -33.796231         0.434724
BFGS:    5 16:26:47      -33.846134         0.228374
BFGS:    6 16:26:47      -33.864043         0.008017
BFGS:    7 16:26:47      -33.864064         0.000273
BFGS:    8 16:26:47      -33.864064         0.000000
BFGS:    9 16:26:48      -33.864064         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.0608820059455035e-30 eV/Angstrom
Maximum stress component: 5.423073031691831e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 4.04445156e-33 5.56160794e-33]
 [3.07004279e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.85571956e-33]
 [5.00000000e-01 4.99445440e-33 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([[5.552837002769116, -2.319810926029317e-33, -8.625163604625913e-35], [-4.1555354451109343e-33, 5.552837002769117, 8.638151679869665e-18], [7.072933778202188e-34, 8.638151679869665e-18, 5.552837002769117]])
forces =  [[-2.96590668e-31 -2.50961335e-31  8.55550005e-32]
 [ 2.28146668e-32  2.05332001e-31 -2.05332001e-31]
 [-4.10664002e-31  3.42220002e-31 -2.28146668e-32]
 [ 1.14073334e-31 -9.35401339e-31 -6.84440004e-32]
 [-2.28146668e-31 -1.14073334e-31 -1.36888001e-31]
 [ 4.56293336e-32  2.28146668e-31  2.50961335e-31]
 [ 2.50961335e-31 -1.06088201e-30 -1.59702668e-31]
 [ 2.50961335e-31  2.62368668e-31  2.28146668e-32]]
stress =  [5.42307303e-13 5.42307303e-13 5.42307303e-13 2.64412759e-29
 6.66253277e-35 1.61602744e-51]
energy per atom =  -4.233007965354345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0