element(s):
['Ge']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1963', '0.99289879', '0.54889056', '0.13235996']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.         0.25       0.13235996]]
spacegroup =  74
cell =  [[5.1963, 0, 0], [0, 5.1594, 0], [0, 0, 2.8522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:56      -36.062496        15.075142
BFGS:    1 16:05:56      -38.254930        15.987559
BFGS:    2 16:05:56      -40.470237        16.868548
BFGS:    3 16:05:56      -42.700146        17.700305
BFGS:    4 16:05:56      -44.931419        18.477480
BFGS:    5 16:05:56      -47.144650        19.169768
BFGS:    6 16:05:56      -49.317406        19.738590
BFGS:    7 16:05:56      -51.426307        20.155171
BFGS:    8 16:05:56      -53.463829        20.369824
BFGS:    9 16:05:56      -55.401570        20.249822
BFGS:   10 16:05:56      -57.261338        19.737055
BFGS:   11 16:05:56      -59.110608        18.732575
BFGS:   12 16:05:56      -61.002910        17.087515
BFGS:   13 16:05:56      -62.961932        14.620330
BFGS:   14 16:05:56      -64.619403        11.462619
BFGS:   15 16:05:56      -65.798312         8.325118
BFGS:   16 16:05:56      -66.597683         5.504398
BFGS:   17 16:05:56      -67.199572         3.175156
BFGS:   18 16:05:56      -67.799979         3.893594
BFGS:   19 16:05:56      -68.401553         6.921761
BFGS:   20 16:05:56      -68.953028        10.289603
BFGS:   21 16:05:56      -69.362799        13.999961
BFGS:   22 16:05:57      -69.572649        14.883050
BFGS:   23 16:05:57      -69.885951        15.494022
BFGS:   24 16:05:57      -70.780857         4.084692
BFGS:   25 16:05:57      -70.918210         1.967645
BFGS:   26 16:05:57      -70.931360         0.270068
BFGS:   27 16:05:57      -70.932241         0.080094
BFGS:   28 16:05:57      -70.932283         0.020405
BFGS:   29 16:05:57      -70.932284         0.000649
BFGS:   30 16:05:57      -70.932284         0.000067
BFGS:   31 16:05:57      -70.932284         0.000004
BFGS:   32 16:05:57      -70.932284         0.000000
BFGS:   33 16:05:57      -70.932284         0.000000
Minimization converged after 33 steps.
Maximum force component: 1.4809292560433087e-10 eV/Angstrom
Maximum stress component: 3.796918762395103e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.   0.25 0.25]
 [0.   0.75 0.75]
 [0.5  0.75 0.75]
 [0.5  0.25 0.25]]
cellpar =  Cell([[4.538017041937554, -2.351847533398967e-35, 0.0], [-1.4168836655025535e-36, 4.014959506892443, 0.0], [0.0, 0.0, 2.3180379520506222]])
forces =  [[-8.94966058e-31  4.63820144e-66 -1.48092926e-10]
 [ 1.78993212e-30 -9.27640287e-66  1.48092926e-10]
 [-1.78993212e-30  9.27640287e-66 -1.48092926e-10]
 [ 8.94966058e-31 -4.63820144e-66  1.48092926e-10]]
stress =  [-5.85344476e-11  3.79691876e-10 -6.30888054e-12  0.00000000e+00
  0.00000000e+00 -5.41206688e-33]
energy per atom =  -17.733071039328696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI4_74_e, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.