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:
EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001
==== 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 16:56:42      -21.665059        5.3603
BFGS:    1 16:56:42      -21.980904        2.2421
BFGS:    2 16:56:42      -22.079486        1.9969
BFGS:    3 16:56:42      -22.218588        2.2182
BFGS:    4 16:56:42      -22.386680        2.7459
BFGS:    5 16:56:42      -22.587589        3.4731
BFGS:    6 16:56:42      -22.856708        4.4380
BFGS:    7 16:56:42      -23.586111        4.8031
BFGS:    8 16:56:42      -24.653873        6.2625
BFGS:    9 16:56:42      -25.199715        5.2155
BFGS:   10 16:56:42      -25.622349        3.0968
BFGS:   11 16:56:42      -25.976993        2.6160
BFGS:   12 16:56:42      -26.176425        2.4696
BFGS:   13 16:56:42      -26.343391        3.2387
BFGS:   14 16:56:42      -26.527791        3.6717
BFGS:   15 16:56:42      -26.693352        3.6690
BFGS:   16 16:56:42      -26.952214        3.0471
BFGS:   17 16:56:42      -27.235358        3.1814
BFGS:   18 16:56:42      -27.519668        3.7727
BFGS:   19 16:56:42      -27.781803        4.4379
BFGS:   20 16:56:42      -27.999368        4.9646
BFGS:   21 16:56:42      -28.148533        4.5767
BFGS:   22 16:56:42      -28.281659        3.6050
BFGS:   23 16:56:42      -28.393323        2.8500
BFGS:   24 16:56:42      -28.488198        2.5205
BFGS:   25 16:56:42      -28.572349        2.1394
BFGS:   26 16:56:42      -28.643919        1.5912
BFGS:   27 16:56:42      -28.693581        0.7226
BFGS:   28 16:56:42      -28.704029        0.2156
BFGS:   29 16:56:42      -28.704341        0.1141
BFGS:   30 16:56:42      -28.705016        0.0847
BFGS:   31 16:56:42      -28.705357        0.0687
BFGS:   32 16:56:42      -28.705545        0.0771
BFGS:   33 16:56:42      -28.705716        0.0903
BFGS:   34 16:56:42      -28.705846        0.0604
BFGS:   35 16:56:42      -28.705886        0.0185
BFGS:   36 16:56:42      -28.705891        0.0024
BFGS:   37 16:56:42      -28.705891        0.0002
BFGS:   38 16:56:42      -28.705891        0.0000
BFGS:   39 16:56:42      -28.705891        0.0000
BFGS:   40 16:56:42      -28.705891        0.0000
BFGS:   41 16:56:42      -28.705891        0.0000
Minimization converged after 41 steps.
Maximum force component: 1.047202109504935e-09 eV/Angstrom
Maximum stress component: 2.665992865830034e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[4.28552073e-52 2.50000000e-01 2.50000000e-01]
 [1.71420829e-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([[6.236732658745146, 2.974735407686533e-35, 0.0], [-6.110370715727064e-35, 5.4117147291315595, 0.0], [0.0, 0.0, 3.124454955693434]])
forces =  [[ 3.84368326e-32  1.83332224e-67 -1.04720211e-09]
 [-3.84368326e-32 -1.83332224e-67  1.04720211e-09]
 [ 3.84368326e-32  1.83332224e-67 -1.04720211e-09]
 [-3.84368326e-32 -1.83332224e-67  1.04720211e-09]]
stress =  [-1.28127092e-10 -2.66599287e-10 -2.28893515e-10  0.00000000e+00
  0.00000000e+00  8.19771574e-46]
energy per atom =  -7.176472811634756
===============================================
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.