element(s):
['Ge']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0525', '3.2827144', '0.093193141', '0.65583867']
model name:
Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge', 'Ge']
representative atom coordinates =  [[0.         0.         0.09319314]
 [0.33333333 0.66666667 0.15583867]]
spacegroup =  194
cell =  [[4.0525, 0, 0], [-2.02625, 3.5095679488364, 0], [0, 0, 13.3032]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:44:43      -33.440937         1.078472
BFGS:    1 12:44:43      -33.484175         1.031031
BFGS:    2 12:44:43      -33.609271         0.868381
BFGS:    3 12:44:43      -33.710540         0.692993
BFGS:    4 12:44:43      -33.786898         0.505004
BFGS:    5 12:44:43      -33.837300         0.304614
BFGS:    6 12:44:43      -33.860854         0.092230
BFGS:    7 12:44:43      -33.863062         0.063122
BFGS:    8 12:44:44      -33.863516         0.043777
BFGS:    9 12:44:44      -33.864007         0.012146
BFGS:   10 12:44:44      -33.864018         0.012660
BFGS:   11 12:44:44      -33.864025         0.013448
BFGS:   12 12:44:44      -33.864039         0.012242
BFGS:   13 12:44:44      -33.864054         0.007590
BFGS:   14 12:44:44      -33.864062         0.002123
BFGS:   15 12:44:45      -33.864064         0.000645
BFGS:   16 12:44:45      -33.864064         0.000090
BFGS:   17 12:44:45      -33.864064         0.000027
BFGS:   18 12:44:45      -33.864064         0.000008
BFGS:   19 12:44:45      -33.864064         0.000001
BFGS:   20 12:44:45      -33.864064         0.000000
BFGS:   21 12:44:45      -33.864064         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.734359672968435e-09 eV/Angstrom
Maximum stress component: 1.607804966121452e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[1.68610277e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 2.27777056e-35 5.93750000e-01]
 [0.00000000e+00 3.76553720e-35 9.06250000e-01]
 [1.35946381e-36 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 8.43750000e-01]
 [3.33333333e-01 6.66666667e-01 3.43750000e-01]]
cellpar =  Cell([[3.92644869953487, 7.037472469196122e-18, 1.2397786455816265e-36], [-1.963224349767435, 3.40040432045357, 2.5097736230109896e-36], [4.9747588710380886e-36, 1.1152519285076712e-35, 12.82372775446096]])
forces =  [[-1.12926839e-31  5.30900777e-31 -2.41958051e-09]
 [-8.87282308e-32  1.81623950e-31 -2.41958051e-09]
 [-8.06620280e-32  3.63247900e-31  2.41958051e-09]
 [ 9.38905737e-46 -4.47074338e-31  2.41958051e-09]
 [-1.93588867e-31 -3.35305754e-31  3.73435967e-09]
 [-3.54912923e-31 -1.67652877e-31  3.73435967e-09]
 [ 1.29059245e-31 -1.11768585e-31 -3.73435967e-09]
 [-2.58118490e-31  4.47074338e-31 -3.73435967e-09]]
stress =  [ 1.66554112e-11  1.66554112e-11  1.60780497e-10  1.50755907e-33
  1.30558445e-33 -1.46145435e-27]
energy per atom =  -4.233007965353964
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0