element(s):
['Te']
AFLOW prototype label:
A_oP4_55_g
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1236', '0.49631724', '0.34973037', '0.12449164', '0.27231993']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.12449164 0.27231993 0.        ]]
spacegroup =  55
cell =  [[9.1236, 0, 0], [0, 4.5282, 0], [0, 0, 3.1908]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:29      -29.401833       12.3633
BFGS:    1 17:03:29      -31.249990       13.0066
BFGS:    2 17:03:29      -33.186147       13.6444
BFGS:    3 17:03:29      -35.213213       14.2747
BFGS:    4 17:03:29      -37.325219       14.7938
BFGS:    5 17:03:29      -39.528330       15.2151
BFGS:    6 17:03:29      -41.797463       15.5449
BFGS:    7 17:03:29      -44.098833       15.6411
BFGS:    8 17:03:29      -46.389143       15.7112
BFGS:    9 17:03:29      -48.637720       15.4236
BFGS:   10 17:03:29      -50.682410       14.7769
BFGS:   11 17:03:29      -52.685892       13.5707
BFGS:   12 17:03:29      -54.486226       11.7202
BFGS:   13 17:03:29      -55.978203        9.0822
BFGS:   14 17:03:29      -57.082051        5.3294
BFGS:   15 17:03:29      -57.614373        0.8820
BFGS:   16 17:03:29      -57.635720        0.4565
BFGS:   17 17:03:29      -57.639277        0.4577
BFGS:   18 17:03:29      -57.684965        1.8545
BFGS:   19 17:03:29      -57.607470        3.5670
BFGS:   20 17:03:29      -57.773173        2.0651
BFGS:   21 17:03:29      -57.908176        3.3350
BFGS:   22 17:03:29      -58.060385        4.8254
BFGS:   23 17:03:29      -58.204811        6.9979
BFGS:   24 17:03:29      -58.313787        9.7125
BFGS:   25 17:03:29      -58.729511        6.3181
BFGS:   26 17:03:29      -59.283405        6.0705
BFGS:   27 17:03:29      -59.834003        8.0987
BFGS:   28 17:03:29      -60.382212       10.0032
BFGS:   29 17:03:29      -60.920525       11.8287
BFGS:   30 17:03:29      -61.449820       13.4690
BFGS:   31 17:03:29      -61.967006       14.8736
BFGS:   32 17:03:29      -62.468071       16.0466
BFGS:   33 17:03:29      -62.951099       16.9139
BFGS:   34 17:03:29      -63.409812       17.4399
BFGS:   35 17:03:29      -63.836834       17.4982
BFGS:   36 17:03:29      -64.217019       17.0688
BFGS:   37 17:03:29      -64.540426       16.5444
BFGS:   38 17:03:29      -64.797076       16.1644
BFGS:   39 17:03:29      -64.992634       15.2081
BFGS:   40 17:03:29      -65.157131       13.1714
BFGS:   41 17:03:29      -65.323859       11.8245
BFGS:   42 17:03:29      -65.557127       10.2522
BFGS:   43 17:03:29      -65.729422        8.8341
BFGS:   44 17:03:29      -65.769836        8.3412
BFGS:   45 17:03:29      -65.774996        8.2034
BFGS:   46 17:03:29      -65.777462        8.3917
BFGS:   47 17:03:29      -65.778734        8.6525
BFGS:   48 17:03:29      -65.779193        8.7068
BFGS:   49 17:03:29      -65.779879        8.8073
BFGS:   50 17:03:29      -65.780410        8.8498
BFGS:   51 17:03:29      -65.783104        8.9879
BFGS:   52 17:03:29      -65.788879        9.2327
BFGS:   53 17:03:29      -65.805541        9.7593
BFGS:   54 17:03:29      -65.848598       10.5922
BFGS:   55 17:03:29      -65.950245       11.7931
BFGS:   56 17:03:29      -66.106302       12.7788
BFGS:   57 17:03:29      -66.316233       13.3501
BFGS:   58 17:03:29      -66.598394       13.5242
BFGS:   59 17:03:29      -67.009896       13.0372
BFGS:   60 17:03:29      -67.805903       10.4769
BFGS:   61 17:03:29      -68.603102        6.1864
BFGS:   62 17:03:29      -69.001272        2.8107
BFGS:   63 17:03:29      -69.073145        1.3965
BFGS:   64 17:03:29      -69.081071        0.4311
BFGS:   65 17:03:30      -69.081869        0.0071
BFGS:   66 17:03:30      -69.081870        0.0018
BFGS:   67 17:03:30      -69.081870        0.0004
BFGS:   68 17:03:30      -69.081870        0.0000
BFGS:   69 17:03:30      -69.081870        0.0000
BFGS:   70 17:03:30      -69.081870        0.0000
Minimization converged after 70 steps.
Maximum force component: 6.240296496730293e-09 eV/Angstrom
Maximum stress component: 1.309873078862064e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te']
basis =  [[1.25000000e-01 2.50000000e-01 0.00000000e+00]
 [8.75000000e-01 7.50000000e-01 8.77514669e-35]
 [3.75000000e-01 7.50000000e-01 2.27195417e-34]
 [6.25000000e-01 2.50000000e-01 0.00000000e+00]]
cellpar =  Cell([[9.234391843610094, 3.382098656656284e-35, 0.0], [-8.755830777927668e-35, 2.6657393083527037, 0.0], [0.0, 0.0, 2.609355554315966]])
forces =  [[-6.24029650e-09  1.43033979e-09 -4.02034880e-33]
 [ 6.24029650e-09 -1.43033979e-09  4.02034880e-33]
 [ 6.24029650e-09  1.43033979e-09  4.02034880e-33]
 [-6.24029650e-09 -1.43033979e-09 -4.02034880e-33]]
stress =  [-5.06316500e-11 -6.53495085e-11 -1.30987308e-10  0.00000000e+00
  0.00000000e+00 -1.60230232e-32]
energy per atom =  -17.27046746109674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_55_g, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.