element(s):
['Ge']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0447', '1.6504562', '0.56285163']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.33333333 0.66666667 0.06285163]]
spacegroup =  194
cell =  [[4.0447, 0, 0], [-2.02235, 3.5028129506869, 0], [0, 0, 6.6756]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:33:45      -16.699373         0.668321
BFGS:    1 14:33:45      -16.712189         0.602901
BFGS:    2 14:33:45      -16.757406         0.249014
BFGS:    3 14:33:45      -16.766319         0.082114
BFGS:    4 14:33:45      -16.766659         0.048627
BFGS:    5 14:33:45      -16.766863         0.039486
BFGS:    6 14:33:45      -16.766911         0.038406
BFGS:    7 14:33:45      -16.767039         0.028190
BFGS:    8 14:33:45      -16.767146         0.021046
BFGS:    9 14:33:45      -16.767203         0.009853
BFGS:   10 14:33:45      -16.767211         0.001865
BFGS:   11 14:33:45      -16.767212         0.000162
BFGS:   12 14:33:45      -16.767212         0.000010
BFGS:   13 14:33:45      -16.767212         0.000000
BFGS:   14 14:33:45      -16.767212         0.000000
BFGS:   15 14:33:45      -16.767212         0.000000
Minimization converged after 15 steps.
Maximum force component: 7.59059015807416e-10 eV/Angstrom
Maximum stress component: 6.178224840489754e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[3.981240509263428, -1.7058533507461367e-17, -4.2088709033097755e-37], [-1.990620254631714, 3.4478554195978233, 3.226752916785867e-36], [3.7452867801279224e-37, -2.3661298821318154e-35, 6.50133852740012]])
forces =  [[ 4.37278214e-47 -2.76255761e-45  7.59059016e-10]
 [ 4.37278214e-47 -2.76255761e-45  7.59059016e-10]
 [-4.37278214e-47  2.76255761e-45 -7.59059016e-10]
 [-4.37278214e-47  2.76255761e-45 -7.59059016e-10]]
stress =  [ 3.24761343e-11  3.24761343e-11  6.17822484e-11  2.86396301e-34
  4.96052944e-34 -8.63282776e-28]
energy per atom =  -4.191802942542154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0