element(s):
['Ge']
AFLOW prototype label:
A_hP2_194_c
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:
['2.96', '1.708277']
model name:
EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.96, 0, 0], [-1.48, 2.5634351952019, 0], [0, 0, 5.0565]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:47:52       -3.372128        65.651418
BFGS:    1 15:47:52      -10.228682        55.796912
BFGS:    2 15:47:52      -15.215866        30.668033
BFGS:    3 15:47:52      -16.972325        12.283881
BFGS:    4 15:47:52      -17.162061         5.297548
BFGS:    5 15:47:52      -17.247942         1.287539
BFGS:    6 15:47:52      -17.250457         0.430895
BFGS:    7 15:47:52      -17.250773         0.006425
BFGS:    8 15:47:52      -17.250773         0.000111
BFGS:    9 15:47:52      -17.250773         0.000007
BFGS:   10 15:47:52      -17.250773         0.000000
Minimization converged after 10 steps.
Maximum force component: 8.571835364509889e-32 eV/Angstrom
Maximum stress component: 7.290284549330376e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1939057387845287, 2.5972422693863758e-17, 4.995340449101324e-35], [-1.5969528693922643, 2.766003507080308, 1.2747447068149528e-34], [-8.984218770502877e-37, -2.174776743784698e-34, 5.215724277541692]])
forces =  [[-2.62452851e-32 -2.13423217e-49  8.57183536e-32]
 [ 1.31226426e-32  2.27290837e-32  1.45797827e-66]]
stress =  [ 1.70723772e-11  1.70723772e-11  7.29028455e-11 -1.13917867e-33
 -1.97311534e-33  2.41291780e-27]
energy per atom =  -8.625386735407497
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0