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 17:11:40      -36.046329       14.9760
BFGS:    1 17:11:40      -38.237471       15.8816
BFGS:    2 17:11:40      -40.441420       16.7986
BFGS:    3 17:11:40      -42.643782       17.6522
BFGS:    4 17:11:40      -44.833497       18.4577
BFGS:    5 17:11:40      -46.991198       19.1875
BFGS:    6 17:11:40      -49.095521       19.8069
BFGS:    7 17:11:40      -51.124456       20.3117
BFGS:    8 17:11:40      -53.091420       20.6040
BFGS:    9 17:11:40      -54.929596       20.5899
BFGS:   10 17:11:40      -56.668209       20.2530
BFGS:   11 17:11:40      -58.390576       19.4379
BFGS:   12 17:11:40      -60.167141       18.1001
BFGS:   13 17:11:40      -62.028865       15.9698
BFGS:   14 17:11:40      -63.946991       12.8836
BFGS:   15 17:11:40      -65.425074        8.6452
BFGS:   16 17:11:40      -66.222957        2.8818
BFGS:   17 17:11:40      -66.295523        0.8083
BFGS:   18 17:11:40      -66.300531        0.0944
BFGS:   19 17:11:40      -66.300537        0.0644
BFGS:   20 17:11:40      -66.300560        0.0110
BFGS:   21 17:11:40      -66.300561        0.0024
BFGS:   22 17:11:40      -66.300561        0.0001
BFGS:   23 17:11:40      -66.300561        0.0000
BFGS:   24 17:11:40      -66.300561        0.0000
BFGS:   25 17:11:40      -66.300561        0.0000
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