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 16:56:55      -36.062496       15.0751
BFGS:    1 16:56:55      -38.254930       15.9876
BFGS:    2 16:56:55      -40.470237       16.8685
BFGS:    3 16:56:55      -42.700146       17.7003
BFGS:    4 16:56:55      -44.931419       18.4775
BFGS:    5 16:56:55      -47.144650       19.1698
BFGS:    6 16:56:55      -49.317406       19.7386
BFGS:    7 16:56:55      -51.426307       20.1552
BFGS:    8 16:56:55      -53.463829       20.3698
BFGS:    9 16:56:55      -55.401570       20.2498
BFGS:   10 16:56:55      -57.261338       19.7371
BFGS:   11 16:56:55      -59.110608       18.7326
BFGS:   12 16:56:55      -61.002910       17.0875
BFGS:   13 16:56:55      -62.961932       14.6203
BFGS:   14 16:56:56      -64.619403       11.4626
BFGS:   15 16:56:56      -65.798312        8.3251
BFGS:   16 16:56:56      -66.597683        5.5044
BFGS:   17 16:56:56      -67.199572        3.1752
BFGS:   18 16:56:56      -67.799979        3.8936
BFGS:   19 16:56:56      -68.401553        6.9218
BFGS:   20 16:56:56      -68.953028       10.2896
BFGS:   21 16:56:56      -69.362799       14.0000
BFGS:   22 16:56:56      -69.572649       14.8831
BFGS:   23 16:56:56      -69.885951       15.4940
BFGS:   24 16:56:56      -70.780857        4.0847
BFGS:   25 16:56:56      -70.918210        1.9676
BFGS:   26 16:56:56      -70.931360        0.2701
BFGS:   27 16:56:56      -70.932241        0.0801
BFGS:   28 16:56:56      -70.932283        0.0204
BFGS:   29 16:56:56      -70.932284        0.0006
BFGS:   30 16:56:56      -70.932284        0.0001
BFGS:   31 16:56:56      -70.932284        0.0000
BFGS:   32 16:56:56      -70.932284        0.0000
BFGS:   33 16:56:56      -70.932284        0.0000
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.