element(s):
['Ge']
AFLOW prototype label:
A_tI4_141_a
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:
['5.1602', '0.55650944']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[5.1602, 0, 0], [0, 5.1602, 0], [0, 0, 2.8717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:43      -36.046329        14.976001
BFGS:    1 09:47:43      -38.237471        15.881567
BFGS:    2 09:47:43      -40.441420        16.798627
BFGS:    3 09:47:43      -42.643782        17.652196
BFGS:    4 09:47:43      -44.833497        18.457658
BFGS:    5 09:47:43      -46.991198        19.187497
BFGS:    6 09:47:43      -49.095521        19.806918
BFGS:    7 09:47:43      -51.124456        20.311676
BFGS:    8 09:47:43      -53.091420        20.604017
BFGS:    9 09:47:43      -54.929596        20.589924
BFGS:   10 09:47:43      -56.668209        20.253047
BFGS:   11 09:47:43      -58.390576        19.437897
BFGS:   12 09:47:43      -60.167141        18.100065
BFGS:   13 09:47:43      -62.028865        15.969776
BFGS:   14 09:47:43      -63.946991        12.883593
BFGS:   15 09:47:43      -65.425074         8.645154
BFGS:   16 09:47:43      -66.222957         2.881836
BFGS:   17 09:47:43      -66.295523         0.808305
BFGS:   18 09:47:43      -66.300531         0.094432
BFGS:   19 09:47:43      -66.300537         0.064445
BFGS:   20 09:47:43      -66.300560         0.011048
BFGS:   21 09:47:43      -66.300561         0.002407
BFGS:   22 09:47:43      -66.300561         0.000119
BFGS:   23 09:47:43      -66.300561         0.000003
BFGS:   24 09:47:43      -66.300561         0.000000
BFGS:   25 09:47:43      -66.300561         0.000000
Minimization converged after 25 steps.
Maximum force component: 4.723842838856415e-31 eV/Angstrom
Maximum stress component: 2.9258350743547155e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[1.50656159e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.379927559358287, -1.5286692948627807e-35, -2.260219944321914e-36], [-2.913834004022672e-36, 4.379927559358288, -2.5525818005978442e-17], [-8.331196295343622e-35, -1.361425096325681e-17, 2.2893539295814134]])
forces =  [[-4.04900815e-32  1.41317279e-67  2.08945213e-68]
 [-1.34966938e-32  4.31894202e-31 -2.51703999e-48]
 [-2.05824581e-31 -4.31894202e-31  2.51703999e-48]
 [-4.72384284e-31  2.15947101e-31 -1.25851999e-48]]
stress =  [-2.92583507e-11 -2.92583507e-11 -1.39757761e-11  3.07237269e-27
 -9.25790491e-46  4.19358355e-62]
energy per atom =  -16.57514023886233
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0