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 17:10:25      -21.665059         5.360312
BFGS:    1 17:10:25      -21.980904         2.242053
BFGS:    2 17:10:25      -22.079486         1.996918
BFGS:    3 17:10:25      -22.218588         2.218237
BFGS:    4 17:10:25      -22.386680         2.745853
BFGS:    5 17:10:25      -22.587589         3.473072
BFGS:    6 17:10:25      -22.856708         4.437993
BFGS:    7 17:10:25      -23.586111         4.803132
BFGS:    8 17:10:25      -24.653873         6.262461
BFGS:    9 17:10:25      -25.199715         5.215530
BFGS:   10 17:10:25      -25.622349         3.096820
BFGS:   11 17:10:25      -25.976993         2.615959
BFGS:   12 17:10:25      -26.176425         2.469606
BFGS:   13 17:10:25      -26.343391         3.238667
BFGS:   14 17:10:25      -26.527791         3.671731
BFGS:   15 17:10:25      -26.693352         3.668981
BFGS:   16 17:10:25      -26.952214         3.047123
BFGS:   17 17:10:25      -27.235358         3.181429
BFGS:   18 17:10:25      -27.519668         3.772733
BFGS:   19 17:10:25      -27.781803         4.437919
BFGS:   20 17:10:25      -27.999368         4.964630
BFGS:   21 17:10:25      -28.148533         4.576652
BFGS:   22 17:10:26      -28.281659         3.605017
BFGS:   23 17:10:26      -28.393323         2.850042
BFGS:   24 17:10:26      -28.488198         2.520540
BFGS:   25 17:10:26      -28.572349         2.139433
BFGS:   26 17:10:26      -28.643919         1.591180
BFGS:   27 17:10:26      -28.693581         0.722645
BFGS:   28 17:10:26      -28.704029         0.215617
BFGS:   29 17:10:26      -28.704341         0.114141
BFGS:   30 17:10:26      -28.705016         0.084747
BFGS:   31 17:10:26      -28.705357         0.068700
BFGS:   32 17:10:26      -28.705545         0.077121
BFGS:   33 17:10:26      -28.705716         0.090313
BFGS:   34 17:10:26      -28.705846         0.060399
BFGS:   35 17:10:26      -28.705886         0.018513
BFGS:   36 17:10:26      -28.705891         0.002399
BFGS:   37 17:10:26      -28.705891         0.000198
BFGS:   38 17:10:26      -28.705891         0.000008
BFGS:   39 17:10:26      -28.705891         0.000001
BFGS:   40 17:10:26      -28.705891         0.000000
BFGS:   41 17:10:26      -28.705891         0.000000
Minimization converged after 41 steps.
Maximum force component: 1.0471970440387012e-09 eV/Angstrom
Maximum stress component: 2.6660013460353985e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 2.50000000e-01 2.50000000e-01]
 [8.57104146e-52 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, -3.851657257632803e-35, 0.0], [-1.507404121048179e-35, 5.411714729131559, 0.0], [0.0, 0.0, 3.1244549556934342]])
forces =  [[ 3.84368326e-32 -2.37376706e-67 -1.04719704e-09]
 [-7.68736652e-32  4.74753411e-67  1.04719704e-09]
 [ 7.68736652e-32 -4.74753411e-67 -1.04719704e-09]
 [-3.84368326e-32  2.37376706e-67  1.04719704e-09]]
stress =  [-1.28127118e-10 -2.66600135e-10 -2.28893155e-10  0.00000000e+00
  0.00000000e+00  2.02236088e-46]
energy per atom =  -7.176472811634754
===============================================
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.