element(s):
['Ge']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0447', '1.6504562', '0.56285163']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.33333333 0.66666667 0.06285163]]
spacegroup =  194
cell =  [[4.0447, 0, 0], [-2.02235, 3.5028129506869, 0], [0, 0, 6.6756]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:26:34      -29.365412        8.1422
BFGS:    1 15:26:34      -30.465548        7.6675
BFGS:    2 15:26:34      -31.472498        6.9000
BFGS:    3 15:26:34      -32.356116        5.8129
BFGS:    4 15:26:34      -33.062902        4.3180
BFGS:    5 15:26:34      -33.524255        2.3292
BFGS:    6 15:26:34      -33.669302        0.3775
BFGS:    7 15:26:34      -33.671909        0.0967
BFGS:    8 15:26:34      -33.672133        0.2215
BFGS:    9 15:26:34      -33.672969        0.1960
BFGS:   10 15:26:34      -33.665156        1.1352
BFGS:   11 15:26:34      -33.737684        0.9557
BFGS:   12 15:26:34      -33.753718        1.8678
BFGS:   13 15:26:34      -33.771101        1.9592
BFGS:   14 15:26:34      -33.893417        1.9154
BFGS:   15 15:26:34      -34.070374        2.4301
BFGS:   16 15:26:34      -34.294743        2.8075
BFGS:   17 15:26:34      -34.582911        3.4128
BFGS:   18 15:26:34      -34.922311        3.9628
BFGS:   19 15:26:34      -35.329973        4.6010
BFGS:   20 15:26:34      -35.806143        5.3318
BFGS:   21 15:26:34      -36.354619        6.0362
BFGS:   22 15:26:34      -36.984298        6.7948
BFGS:   23 15:26:34      -37.695877        7.5952
BFGS:   24 15:26:34      -38.487761        8.2778
BFGS:   25 15:26:34      -39.365051        8.9218
BFGS:   26 15:26:34      -40.301324        9.1991
BFGS:   27 15:26:34      -41.289826        9.1098
BFGS:   28 15:26:34      -42.239858        8.0034
BFGS:   29 15:26:34      -43.114693        5.5314
BFGS:   30 15:26:34      -43.582570        1.1577
BFGS:   31 15:26:34      -43.590331        0.7391
BFGS:   32 15:26:34      -43.602606        0.5008
BFGS:   33 15:26:34      -43.603203        0.2567
BFGS:   34 15:26:34      -43.603585        0.0041
BFGS:   35 15:26:34      -43.603585        0.0006
BFGS:   36 15:26:34      -43.603585        0.0001
BFGS:   37 15:26:34      -43.603585        0.0000
BFGS:   38 15:26:34      -43.603585        0.0000
BFGS:   39 15:26:34      -43.603585        0.0000
Minimization converged after 39 steps.
Maximum force component: 1.791149785998827e-10 eV/Angstrom
Maximum stress component: 2.096709381597491e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[3.33333330e-01 6.66666670e-01 1.00000000e+00]
 [6.66666663e-01 3.33333337e-01 5.00000000e-01]
 [6.66666663e-01 3.33333337e-01 1.46105350e-13]
 [3.33333330e-01 6.66666670e-01 5.00000000e-01]]
cellpar =  Cell([[3.9873186099104405, 4.155015348442652e-18, -3.255771978192406e-35], [-1.9936593049552203, 3.453119209164896, -1.7767768326525442e-35], [-3.023659909263172e-35, -7.623134641190338e-35, 4.625196444184996]])
forces =  [[-1.83483986e-30 -2.27002562e-30  1.79114979e-10]
 [-1.76930987e-30 -4.19954740e-30  1.79114979e-10]
 [ 1.83483986e-30  2.27002562e-30 -1.79114979e-10]
 [ 1.76930987e-30  4.19954740e-30 -1.79114979e-10]]
stress =  [ 2.09670938e-11  2.09670938e-11  1.59397665e-12  1.02900490e-33
 -1.78228876e-33 -2.18243069e-28]
energy per atom =  -10.90089635237919
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hP4_194_f, while relaxed is A_hP2_191_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.