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 15:25:47      -30.717611         0.465351
BFGS:    1 15:25:48      -30.726657         0.441812
BFGS:    2 15:25:48      -30.779290         0.257920
BFGS:    3 15:25:48      -30.803407         0.061506
BFGS:    4 15:25:48      -30.804794         0.002674
BFGS:    5 15:25:48      -30.804797         0.000026
BFGS:    6 15:25:48      -30.804797         0.000000
BFGS:    7 15:25:48      -30.804797         0.000000
Minimization converged after 7 steps.
Maximum force component: 9.877679151460588e-32 eV/Angstrom
Maximum stress component: 2.1899225356490793e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 2.18275368e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.35358977e-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([[5.656747326589386, 1.6493570512770486e-35, -1.0992732541750726e-35], [4.50397910687644e-35, 5.656747326589386, 5.12084962344289e-19], [6.248589023216838e-35, 5.120849623442891e-19, 5.656747326589386]])
forces =  [[-4.64831960e-32 -2.32415980e-32 -1.16207990e-32]
 [ 6.97247940e-32  3.48623970e-32  9.87767915e-32]
 [ 6.39143945e-32 -5.81039950e-33 -5.25994540e-52]
 [ 6.39143945e-32  2.32415980e-32  2.10397816e-51]
 [ 3.48623970e-32 -5.81039950e-32  1.30733989e-32]
 [ 3.48623970e-32  3.48623970e-32  3.48623970e-32]
 [-3.48623970e-32  1.16207990e-32 -4.06727965e-32]
 [-1.16207990e-32  1.16207990e-32 -8.13455930e-32]]
stress =  [-2.18992254e-15 -2.18992254e-15 -2.18992254e-15 -3.57963870e-31
 -8.52816287e-66 -2.67705585e-66]
energy per atom =  -3.8505995744856265
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0