element(s):
['Te']
AFLOW prototype label:
A_hR1_166_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5333378', '1.216872']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[4.5333, 0, 0], [-2.26665, 3.925952962976, 0], [0, 0, 5.5165]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:00:27      -22.262500        12.390660
BFGS:    1 15:00:27      -24.182796        13.270753
BFGS:    2 15:00:27      -26.236611        14.178196
BFGS:    3 15:00:27      -28.418632        14.936858
BFGS:    4 15:00:27      -30.704525        15.529356
BFGS:    5 15:00:27      -33.065075        15.917671
BFGS:    6 15:00:27      -35.443488        15.835282
BFGS:    7 15:00:27      -37.752332        15.156280
BFGS:    8 15:00:27      -39.872895        13.554524
BFGS:    9 15:00:27      -41.635341        10.777397
BFGS:   10 15:00:27      -42.819624         6.426176
BFGS:   11 15:00:27      -43.237173         0.740287
BFGS:   12 15:00:27      -43.249080         0.807857
BFGS:   13 15:00:27      -43.319045         2.134987
BFGS:   14 15:00:27      -43.479433         2.766694
BFGS:   15 15:00:27      -43.756561         4.886597
BFGS:   16 15:00:27      -44.073919         5.478752
BFGS:   17 15:00:27      -44.539999         7.785243
BFGS:   18 15:00:27      -45.070903         9.427786
BFGS:   19 15:00:27      -45.667270        10.695872
BFGS:   20 15:00:27      -46.375538        12.423493
BFGS:   21 15:00:27      -47.194529        14.462521
BFGS:   22 15:00:27      -48.125665        16.623096
BFGS:   23 15:00:27      -49.174782        19.004930
BFGS:   24 15:00:27      -50.349652        21.555198
BFGS:   25 15:00:27      -51.658388        24.161278
BFGS:   26 15:00:27      -53.095831        26.856166
BFGS:   27 15:00:27      -54.663618        29.289401
BFGS:   28 15:00:27      -56.324675        30.983570
BFGS:   29 15:00:27      -58.040832        31.532363
BFGS:   30 15:00:27      -59.798558        29.977409
BFGS:   31 15:00:27      -61.452164        24.756284
BFGS:   32 15:00:27      -62.416773         9.542842
BFGS:   33 15:00:27      -62.790277         6.052419
BFGS:   34 15:00:27      -62.805079         6.084512
BFGS:   35 15:00:27      -62.833156         0.366591
BFGS:   36 15:00:27      -62.833268         0.022421
BFGS:   37 15:00:27      -62.833268         0.000090
BFGS:   38 15:00:27      -62.833268         0.000000
BFGS:   39 15:00:27      -62.833268         0.000000
Minimization converged after 39 steps.
Maximum force component: 8.071034705858935e-31 eV/Angstrom
Maximum stress component: 3.876431258165711e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.00000000e+00 5.61527497e-33 5.66904753e-33]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.296230880651099, 1.7549467576866973e-16, -1.593588475475877e-16], [-2.1481154403255496, 3.7206450831670437, -3.269895345269374e-16], [-3.6444731639592845e-16, 2.7026244626837704e-16, 2.6308933686887013]])
forces =  [[-1.11804871e-46  8.29109081e-47  8.07103471e-31]
 [-3.19442489e-47  2.36888309e-47  2.30600992e-31]
 [-1.11804871e-46  8.29109081e-47  8.07103471e-31]]
stress =  [ 3.87643126e-10  3.87643126e-10  3.17792154e-10 -4.29806289e-26
  5.23594421e-26 -5.55668409e-26]
energy per atom =  -20.944422664672967
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.