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 17:28:05      -33.430712        1.0233
BFGS:    1 17:28:05      -33.474565        0.9763
BFGS:    2 17:28:05      -33.608542        0.8081
BFGS:    3 17:28:05      -33.716383        0.6277
BFGS:    4 17:28:05      -33.796231        0.4347
BFGS:    5 17:28:05      -33.846134        0.2284
BFGS:    6 17:28:05      -33.864043        0.0080
BFGS:    7 17:28:05      -33.864064        0.0003
BFGS:    8 17:28:05      -33.864064        0.0000
BFGS:    9 17:28:05      -33.864064        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.053320011507425e-31 eV/Angstrom
Maximum stress component: 5.411927776086251e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.10987876e-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([[5.552837002769114, -7.6809700482217906e-34, 5.031238860116736e-34], [1.5504812218492217e-33, 5.552837002769114, 3.49982344156829e-17], [-2.1585880553978e-34, 3.49982344156829e-17, 5.552837002769114]])
forces =  [[-1.02666001e-31 -2.05332001e-31 -1.29415964e-48]
 [ 7.98513338e-32  3.54995178e-49  5.63237086e-32]
 [-1.71110001e-32  5.70366670e-32 -1.71110001e-32]
 [-8.55550005e-32 -8.27031671e-32 -4.42034169e-32]
 [ 2.85183335e-32 -6.27403337e-32  6.84440004e-32]
 [ 5.13330003e-32  8.55550005e-33  9.12586672e-32]
 [ 2.28146668e-32  2.28146668e-32 -5.13330003e-32]
 [ 2.28146668e-32  8.84068338e-32  3.99256669e-32]]
stress =  [ 5.41192778e-13  5.41192778e-13  5.41192778e-13  1.56440211e-28
 -3.33126639e-35 -6.53606093e-51]
energy per atom =  -4.23300796535434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0