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 14:16:59      -20.106304        10.367483
BFGS:    1 14:16:59      -21.599353        10.532885
BFGS:    2 14:16:59      -23.224793        11.084913
BFGS:    3 14:16:59      -24.962239        11.782391
BFGS:    4 14:16:59      -26.832148        12.472544
BFGS:    5 14:16:59      -28.841717        13.153072
BFGS:    6 14:16:59      -30.988749        13.805627
BFGS:    7 14:16:59      -33.250656        14.244309
BFGS:    8 14:16:59      -35.600186        14.530276
BFGS:    9 14:16:59      -37.920948        14.400603
BFGS:   10 14:16:59      -40.064717        13.753459
BFGS:   11 14:16:59      -41.847410        12.477430
BFGS:   12 14:16:59      -43.288518        11.166700
BFGS:   13 14:16:59      -44.390477         9.566735
BFGS:   14 14:16:59      -45.460751         8.879461
BFGS:   15 14:16:59      -46.513216         8.094160
BFGS:   16 14:16:59      -47.308484        15.483216
BFGS:   17 14:16:59      -48.503426        15.861979
BFGS:   18 14:16:59      -49.946013        16.877625
BFGS:   19 14:16:59      -51.596494        17.727209
BFGS:   20 14:16:59      -53.494424        18.749644
BFGS:   21 14:16:59      -55.580704        19.587521
BFGS:   22 14:16:59      -57.804816        20.114341
BFGS:   23 14:16:59      -60.046437        20.290477
BFGS:   24 14:16:59      -61.999562        19.066005
BFGS:   25 14:16:59      -63.547173        16.509216
BFGS:   26 14:16:59      -64.630384        12.716319
BFGS:   27 14:16:59      -65.304643         8.220493
BFGS:   28 14:16:59      -65.640706         3.562887
BFGS:   29 14:16:59      -65.709628         0.246318
BFGS:   30 14:16:59      -65.711092         0.317731
BFGS:   31 14:16:59      -65.712938         0.228835
BFGS:   32 14:16:59      -65.714219         0.052165
BFGS:   33 14:16:59      -65.714244         0.009119
BFGS:   34 14:16:59      -65.714244         0.000173
BFGS:   35 14:16:59      -65.714244         0.000006
BFGS:   36 14:16:59      -65.714244         0.000000
BFGS:   37 14:16:59      -65.714244         0.000000
Minimization converged after 37 steps.
Maximum force component: 7.389178243281885e-12 eV/Angstrom
Maximum stress component: 4.215109963452501e-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([[2.6839806064524088, 1.6349228115132837e-16, 3.484812717729561e-38], [-1.3419903032262044, 2.3243953884525506, -4.160437567581837e-36], [-1.9057625012058846e-37, 9.030557819769733e-36, 6.574382965324533]])
forces =  [[ 7.38917824e-12  4.51327609e-28  9.59392264e-50]
 [-3.69458912e-12  6.39921607e-12 -1.14539631e-47]
 [-3.69458912e-12 -6.39921607e-12 -1.72875790e-30]]
stress =  [-1.16124553e-11 -1.16124553e-11 -4.21510996e-11 -2.07871656e-47
  1.35101486e-47 -3.13775971e-27]
energy per atom =  -21.904748059194578
===============================================
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.