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:
EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001
==== 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      -20.391054         2.471217
BFGS:    1 14:33:45      -20.630965         2.235824
BFGS:    2 14:33:45      -20.929912         1.899131
BFGS:    3 14:33:45      -21.179987         1.556995
BFGS:    4 14:33:45      -21.380153         1.212276
BFGS:    5 14:33:45      -21.533019         0.907901
BFGS:    6 14:33:45      -21.645162         0.648992
BFGS:    7 14:33:45      -21.722275         0.425654
BFGS:    8 14:33:45      -21.768599         0.225958
BFGS:    9 14:33:45      -21.786548         0.035980
BFGS:   10 14:33:45      -21.786855         0.018713
BFGS:   11 14:33:45      -21.786867         0.019107
BFGS:   12 14:33:45      -21.786982         0.019131
BFGS:   13 14:33:45      -21.787000         0.017104
BFGS:   14 14:33:45      -21.787071         0.011127
BFGS:   15 14:33:45      -21.787090         0.004942
BFGS:   16 14:33:45      -21.787095         0.000539
BFGS:   17 14:33:45      -21.787095         0.000084
BFGS:   18 14:33:45      -21.787095         0.000004
BFGS:   19 14:33:45      -21.787095         0.000000
BFGS:   20 14:33:45      -21.787095         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.941417651640797e-10 eV/Angstrom
Maximum stress component: 8.017059757812405e-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([[4.499355420344944, -5.624360185463485e-17, -9.401072604507017e-38], [-2.249677710172472, 3.896556094673933, -2.437694397015551e-36], [-4.595288623779544e-37, 2.9145343741214225e-37, 7.34741663465899]])
forces =  [[-1.84862791e-32  9.60575240e-32 -1.94141765e-10]
 [ 2.31078489e-33  7.20431430e-32 -1.94141765e-10]
 [ 1.84862791e-32 -9.60575240e-32  1.94141765e-10]
 [ 1.61754942e-32 -7.20431430e-32  1.94141765e-10]]
stress =  [ 6.93820245e-11  6.93820245e-11  8.01705976e-11  5.02286666e-34
 -2.78025582e-47 -1.36658058e-26]
energy per atom =  -5.446773718837823
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0