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 10:54:33      -20.106304        10.367483
BFGS:    1 10:54:33      -21.599353        10.532885
BFGS:    2 10:54:33      -23.224793        11.084913
BFGS:    3 10:54:33      -24.962239        11.782391
BFGS:    4 10:54:34      -26.832148        12.472544
BFGS:    5 10:54:34      -28.841717        13.153072
BFGS:    6 10:54:34      -30.988749        13.805627
BFGS:    7 10:54:34      -33.250656        14.244309
BFGS:    8 10:54:34      -35.600186        14.530276
BFGS:    9 10:54:34      -37.920948        14.400603
BFGS:   10 10:54:34      -40.064717        13.753459
BFGS:   11 10:54:35      -41.847410        12.477430
BFGS:   12 10:54:35      -43.288518        11.166700
BFGS:   13 10:54:35      -44.390477         9.566735
BFGS:   14 10:54:35      -45.460751         8.879461
BFGS:   15 10:54:35      -46.513216         8.094160
BFGS:   16 10:54:35      -47.308484        15.483216
BFGS:   17 10:54:36      -48.503426        15.861979
BFGS:   18 10:54:36      -49.946013        16.877625
BFGS:   19 10:54:36      -51.596494        17.727209
BFGS:   20 10:54:36      -53.494424        18.749644
BFGS:   21 10:54:36      -55.580704        19.587521
BFGS:   22 10:54:37      -57.804816        20.114341
BFGS:   23 10:54:37      -60.046437        20.290477
BFGS:   24 10:54:37      -61.999562        19.066005
BFGS:   25 10:54:37      -63.547173        16.509216
BFGS:   26 10:54:37      -64.630384        12.716319
BFGS:   27 10:54:38      -65.304643         8.220493
BFGS:   28 10:54:38      -65.640706         3.562887
BFGS:   29 10:54:38      -65.709628         0.246318
BFGS:   30 10:54:38      -65.711092         0.317731
BFGS:   31 10:54:39      -65.712938         0.228835
BFGS:   32 10:54:39      -65.714219         0.052165
BFGS:   33 10:54:39      -65.714244         0.009119
BFGS:   34 10:54:39      -65.714244         0.000173
BFGS:   35 10:54:40      -65.714244         0.000006
BFGS:   36 10:54:40      -65.714244         0.000000
BFGS:   37 10:54:40      -65.714244         0.000000
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.