element(s):
['Ge']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3628']
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 =  229
cell =  [[3.3628, 0, 0], [0, 3.3628, 0], [0, 0, 3.3628]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:48      -17.600170        15.542814
BFGS:    1 15:56:48      -20.087028        17.698776
BFGS:    2 15:56:48      -22.904255        19.869587
BFGS:    3 15:56:48      -26.045045        21.978955
BFGS:    4 15:56:48      -29.481084        23.743891
BFGS:    5 15:56:48      -33.131804        24.698349
BFGS:    6 15:56:48      -36.813303        24.033811
BFGS:    7 15:56:48      -40.181065        20.070310
BFGS:    8 15:56:48      -42.541346        10.157555
BFGS:    9 15:56:48      -42.698670        10.267755
BFGS:   10 15:56:48      -43.000679         1.670072
BFGS:   11 15:56:48      -43.010703         0.218923
BFGS:   12 15:56:48      -43.010873         0.006001
BFGS:   13 15:56:48      -43.010873         0.000021
BFGS:   14 15:56:48      -43.010873         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6659712149233421e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.641651244471525, -5.770014638485512e-33, -7.504731723996929e-33], [-1.5238964971624077e-33, 2.641651244471525, -2.3963411610540407e-17], [5.4258194733064746e-33, -2.396341161054041e-17, 2.641651244471525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.66597121e-10 1.66597121e-10 1.66597121e-10 1.37876944e-26
 7.06528182e-33 1.61178886e-49]
energy per atom =  -21.505436352461537
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0