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 09:45:03      -36.062496        15.075142
BFGS:    1 09:45:03      -38.254930        15.987559
BFGS:    2 09:45:03      -40.470237        16.868548
BFGS:    3 09:45:03      -42.700146        17.700305
BFGS:    4 09:45:03      -44.931419        18.477480
BFGS:    5 09:45:03      -47.144650        19.169768
BFGS:    6 09:45:03      -49.317406        19.738590
BFGS:    7 09:45:03      -51.426307        20.155171
BFGS:    8 09:45:04      -53.463829        20.369824
BFGS:    9 09:45:04      -55.401570        20.249822
BFGS:   10 09:45:04      -57.261338        19.737055
BFGS:   11 09:45:04      -59.110608        18.732575
BFGS:   12 09:45:04      -61.002910        17.087515
BFGS:   13 09:45:04      -62.961932        14.620330
BFGS:   14 09:45:04      -64.619403        11.462619
BFGS:   15 09:45:04      -65.798312         8.325118
BFGS:   16 09:45:04      -66.597683         5.504398
BFGS:   17 09:45:04      -67.199572         3.175156
BFGS:   18 09:45:04      -67.799979         3.893594
BFGS:   19 09:45:04      -68.401553         6.921761
BFGS:   20 09:45:04      -68.953028        10.289603
BFGS:   21 09:45:04      -69.362799        13.999961
BFGS:   22 09:45:05      -69.572649        14.883050
BFGS:   23 09:45:05      -69.885951        15.494022
BFGS:   24 09:45:05      -70.780857         4.084692
BFGS:   25 09:45:05      -70.918210         1.967645
BFGS:   26 09:45:05      -70.931360         0.270068
BFGS:   27 09:45:05      -70.932241         0.080094
BFGS:   28 09:45:05      -70.932283         0.020405
BFGS:   29 09:45:05      -70.932284         0.000649
BFGS:   30 09:45:05      -70.932284         0.000067
BFGS:   31 09:45:05      -70.932284         0.000004
BFGS:   32 09:45:06      -70.932284         0.000000
BFGS:   33 09:45:06      -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 =  [[0.00000000e+00 2.50000000e-01 2.50000000e-01]
 [1.76691583e-51 7.50000000e-01 7.50000000e-01]
 [5.00000000e-01 7.50000000e-01 7.50000000e-01]
 [5.00000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[4.538017041937554, -1.7626964492712268e-35, 0.0], [2.5863752011054207e-35, 4.014959506892443, 0.0], [0.0, 0.0, 2.3180379520506222]])
forces =  [[-8.94966058e-31  3.47630579e-66 -1.48092926e-10]
 [ 1.78993212e-30 -6.95261158e-66  1.48092926e-10]
 [-1.78993212e-30  6.95261158e-66 -1.48092926e-10]
 [ 8.94966058e-31 -3.47630579e-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.