element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_oP2_25_a_b
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0643', '2.0790393', '1.0066899', '0.10100146', '0.14899854']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.         0.         0.10100146]
 [0.         0.5        0.14899854]]
spacegroup =  25
cell =  [[3.0643, 0, 0], [0, 6.3708, 0], [0, 0, 3.0848]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:22:49       -6.048012        5.7669
BFGS:    1 16:22:49       -6.671142        6.0061
BFGS:    2 16:22:49       -7.299323        5.9464
BFGS:    3 16:22:49       -7.893442        5.3493
BFGS:    4 16:22:49       -8.399009        3.8368
BFGS:    5 16:22:49       -8.747803        2.9010
BFGS:    6 16:22:49       -8.887573        2.9572
BFGS:    7 16:22:49       -9.003225        2.7659
BFGS:    8 16:22:49       -9.113504        2.4237
BFGS:    9 16:22:49       -9.200580        2.1336
BFGS:   10 16:22:49       -9.238167        0.7713
BFGS:   11 16:22:49       -9.249657        0.1553
BFGS:   12 16:22:49       -9.250575        0.1466
BFGS:   13 16:22:49       -9.252399        0.2456
BFGS:   14 16:22:49       -9.259970        0.8394
BFGS:   15 16:22:49       -9.272394        1.4671
BFGS:   16 16:22:49       -9.244472        2.4248
BFGS:   17 16:22:49       -9.320732        0.4082
BFGS:   18 16:22:49       -9.342698        0.4271
BFGS:   19 16:22:49       -9.378895        1.0022
BFGS:   20 16:22:49       -9.414853        1.5488
BFGS:   21 16:22:49       -9.450735        2.0491
BFGS:   22 16:22:49       -9.486402        2.5034
BFGS:   23 16:22:49       -9.521728        2.9141
BFGS:   24 16:22:49       -9.556740        3.2731
BFGS:   25 16:22:49       -9.591558        3.5726
BFGS:   26 16:22:49       -9.626441        3.8189
BFGS:   27 16:22:49       -9.661669        3.9790
BFGS:   28 16:22:49       -9.698044        4.0598
BFGS:   29 16:22:49       -9.736360        4.0160
BFGS:   30 16:22:49       -9.779410        3.8141
BFGS:   31 16:22:49       -9.833965        3.3310
BFGS:   32 16:22:49       -9.923635        2.1368
BFGS:   33 16:22:49      -10.072829        1.4896
BFGS:   34 16:22:49      -10.172995        1.1646
BFGS:   35 16:22:49      -10.234203        0.7396
BFGS:   36 16:22:49      -10.238850        0.3107
BFGS:   37 16:22:49      -10.240205        0.1203
BFGS:   38 16:22:49      -10.240342        0.0144
BFGS:   39 16:22:49      -10.240344        0.0057
BFGS:   40 16:22:49      -10.240344        0.0004
BFGS:   41 16:22:49      -10.240344        0.0001
BFGS:   42 16:22:49      -10.240344        0.0000
BFGS:   43 16:22:49      -10.240344        0.0000
BFGS:   44 16:22:49      -10.240344        0.0000
Minimization converged after 44 steps.
Maximum force component: 1.6155581604763384e-10 eV/Angstrom
Maximum stress component: 1.7181898821906647e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Te']
basis =  [[0.    0.    0.875]
 [0.    0.5   0.375]]
cellpar =  Cell([2.666535499900948, 4.578965504665405, 2.6954967756157773])
forces =  [[ 0.00000000e+00  0.00000000e+00  1.61555816e-10]
 [ 0.00000000e+00  0.00000000e+00 -1.61555304e-10]]
stress =  [-1.71818988e-10  6.82579275e-11 -1.61393686e-10  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -5.12017212250098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oP2_25_a_b, while relaxed is AB_oP2_47_a_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.