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 09:22:19      -20.391054         2.471217
BFGS:    1 09:22:19      -20.630965         2.235824
BFGS:    2 09:22:19      -20.929912         1.899131
BFGS:    3 09:22:19      -21.179987         1.556995
BFGS:    4 09:22:19      -21.380153         1.212276
BFGS:    5 09:22:19      -21.533019         0.907901
BFGS:    6 09:22:19      -21.645162         0.648992
BFGS:    7 09:22:19      -21.722275         0.425654
BFGS:    8 09:22:19      -21.768599         0.225958
BFGS:    9 09:22:19      -21.786548         0.035980
BFGS:   10 09:22:19      -21.786855         0.018713
BFGS:   11 09:22:19      -21.786867         0.019107
BFGS:   12 09:22:19      -21.786982         0.019131
BFGS:   13 09:22:19      -21.787000         0.017104
BFGS:   14 09:22:20      -21.787071         0.011127
BFGS:   15 09:22:20      -21.787090         0.004942
BFGS:   16 09:22:20      -21.787095         0.000539
BFGS:   17 09:22:20      -21.787095         0.000084
BFGS:   18 09:22:20      -21.787095         0.000004
BFGS:   19 09:22:20      -21.787095         0.000000
BFGS:   20 09:22:20      -21.787095         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.941469415789321e-10 eV/Angstrom
Maximum stress component: 8.017069751376344e-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([[4.499355420344948, -5.4875956178523475e-17, -3.620333459038677e-36], [-2.249677710172474, 3.8965560946739357, -2.1151531901591964e-36], [1.457952282505505e-35, 2.3592567457787734e-35, 7.347416634658991]])
forces =  [[-7.39451165e-32 -6.22504299e-46 -1.94146942e-10]
 [ 1.84862791e-32 -3.20191747e-32 -1.94146942e-10]
 [ 1.47890233e-31  6.21602434e-46  1.94146942e-10]
 [-1.84862791e-32  3.20191747e-32  1.94146942e-10]]
stress =  [6.93823753e-11 6.93823753e-11 8.01706975e-11 1.12117559e-35
 1.94193309e-35 2.52963513e-26]
energy per atom =  -5.4467737188378225
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0