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 14:59:51       -3.372128        65.651418
BFGS:    1 14:59:51      -10.228682        55.796912
BFGS:    2 14:59:51      -15.215866        30.668033
BFGS:    3 14:59:51      -16.972325        12.283881
BFGS:    4 14:59:51      -17.162061         5.297548
BFGS:    5 14:59:51      -17.247942         1.287539
BFGS:    6 14:59:51      -17.250457         0.430895
BFGS:    7 14:59:51      -17.250773         0.006425
BFGS:    8 14:59:51      -17.250773         0.000111
BFGS:    9 14:59:51      -17.250773         0.000007
BFGS:   10 14:59:51      -17.250773         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.296462448700136e-31 eV/Angstrom
Maximum stress component: 7.293083285329816e-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([[3.193905738784531, 4.07658115177212e-17, 9.798885043084668e-35], [-1.5969528693922654, 2.7660035070803093, -2.9523514992567813e-34], [-9.474209786028509e-35, 3.2031384196508637e-34, 5.215724277541692]])
forces =  [[ 2.29646245e-31 -2.15926295e-31  1.71436707e-31]
 [-2.26365584e-31  2.10244024e-31 -1.71436707e-31]]
stress =  [ 1.71046697e-11  1.71046697e-11  7.29308329e-11 -1.42397334e-33
 -4.43950951e-33 -2.77046761e-27]
energy per atom =  -8.6253867354075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0