element(s):
['Te']
AFLOW prototype label:
A_hP3_152_a
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5029', '1.3245464', '0.73005065']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.26994935 0.         0.33333333]]
spacegroup =  152
cell =  [[4.5029, 0, 0], [-2.25145, 3.8996257907009, 0], [0, 0, 5.9643]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:13:43      -20.106304       10.3675
BFGS:    1 15:13:43      -21.599353       10.5329
BFGS:    2 15:13:43      -23.224793       11.0849
BFGS:    3 15:13:43      -24.962239       11.7824
BFGS:    4 15:13:43      -26.832148       12.4725
BFGS:    5 15:13:43      -28.841717       13.1531
BFGS:    6 15:13:43      -30.988749       13.8056
BFGS:    7 15:13:43      -33.250656       14.2443
BFGS:    8 15:13:43      -35.600186       14.5303
BFGS:    9 15:13:43      -37.920948       14.4006
BFGS:   10 15:13:43      -40.064717       13.7535
BFGS:   11 15:13:43      -41.847410       12.4774
BFGS:   12 15:13:43      -43.288518       11.1667
BFGS:   13 15:13:43      -44.390477        9.5667
BFGS:   14 15:13:44      -45.460751        8.8795
BFGS:   15 15:13:44      -46.513216        8.0942
BFGS:   16 15:13:44      -47.308484       15.4832
BFGS:   17 15:13:44      -48.503426       15.8620
BFGS:   18 15:13:44      -49.946013       16.8776
BFGS:   19 15:13:44      -51.596494       17.7272
BFGS:   20 15:13:44      -53.494424       18.7496
BFGS:   21 15:13:44      -55.580704       19.5875
BFGS:   22 15:13:44      -57.804816       20.1143
BFGS:   23 15:13:44      -60.046437       20.2905
BFGS:   24 15:13:44      -61.999562       19.0660
BFGS:   25 15:13:44      -63.547173       16.5092
BFGS:   26 15:13:44      -64.630384       12.7163
BFGS:   27 15:13:44      -65.304643        8.2205
BFGS:   28 15:13:44      -65.640706        3.5629
BFGS:   29 15:13:44      -65.709628        0.2463
BFGS:   30 15:13:44      -65.711092        0.3177
BFGS:   31 15:13:44      -65.712938        0.2288
BFGS:   32 15:13:44      -65.714219        0.0522
BFGS:   33 15:13:44      -65.714244        0.0091
BFGS:   34 15:13:44      -65.714244        0.0002
BFGS:   35 15:13:44      -65.714244        0.0000
BFGS:   36 15:13:44      -65.714244        0.0000
BFGS:   37 15:13:44      -65.714244        0.0000
Minimization converged after 37 steps.
Maximum force component: 7.398511044562136e-12 eV/Angstrom
Maximum stress component: 4.215403387115788e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.33333333 0.         0.33333333]
 [1.         0.33333333 0.66666666]
 [0.66666667 0.66666667 1.        ]]
cellpar =  Cell([[2.683980606452409, 1.8091169662738692e-16, -2.2730754394561104e-36], [-1.3419903032262046, 2.3243953884525506, -6.270014177953385e-36], [-3.342120105574467e-36, -3.198679291371824e-35, 6.574382965324532]])
forces =  [[ 7.39851104e-12  4.98691079e-28 -6.91503160e-30]
 [-3.69925552e-12  6.40729851e-12 -1.72835709e-47]
 [-3.69925552e-12 -6.40729851e-12  3.45751580e-30]]
stress =  [-1.16081352e-11 -1.16081352e-11 -4.21540339e-11 -3.22314937e-46
 -8.71598678e-47 -1.62337930e-27]
energy per atom =  -21.904748059194585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hP3_152_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.