element(s):
['Te']
AFLOW prototype label:
A_oC2_65_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.027', '2.7281797', '0.99362405']
model name:
Sim_LAMMPS_BOP_WardZhouWong_2012_CdTe__SM_509819366101_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0 0 0]]
spacegroup =  65
cell =  [[3.027, 0, 0], [0, 8.2582, 0], [0, 0, 3.0077]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:33:16       -3.343121        2.3571
BFGS:    1 16:33:16       -3.460432        1.4320
BFGS:    2 16:33:16       -3.538564        0.3649
BFGS:    3 16:33:16       -3.543892        0.0807
BFGS:    4 16:33:16       -3.544014        0.0856
BFGS:    5 16:33:16       -3.545734        0.1910
BFGS:    6 16:33:16       -3.556196        0.8204
BFGS:    7 16:33:16       -3.589417        1.4664
BFGS:    8 16:33:16       -3.634492        1.6128
BFGS:    9 16:33:16       -3.673950        1.5273
BFGS:   10 16:33:16       -3.705457        1.4287
BFGS:   11 16:33:16       -3.731367        1.3461
BFGS:   12 16:33:16       -3.752853        1.3349
BFGS:   13 16:33:16       -3.769193        1.3550
BFGS:   14 16:33:16       -3.779370        1.3540
BFGS:   15 16:33:16       -3.787831        1.3448
BFGS:   16 16:33:16       -3.829819        1.2759
BFGS:   17 16:33:16       -3.890120        1.0944
BFGS:   18 16:33:16       -3.938740        0.8535
BFGS:   19 16:33:16       -3.978306        0.5453
BFGS:   20 16:33:16       -4.005147        0.4432
BFGS:   21 16:33:16       -4.014418        0.2480
BFGS:   22 16:33:16       -4.015651        0.1504
BFGS:   23 16:33:16       -4.015853        0.1081
BFGS:   24 16:33:16       -4.015973        0.0957
BFGS:   25 16:33:16       -4.016757        0.0713
BFGS:   26 16:33:16       -4.021674        0.3808
BFGS:   27 16:33:16       -4.029580        0.4963
BFGS:   28 16:33:16       -4.043280        0.5546
BFGS:   29 16:33:16       -4.070495        0.5620
BFGS:   30 16:33:16       -4.102078        0.6452
BFGS:   31 16:33:16       -4.136053        0.6364
BFGS:   32 16:33:16       -4.170516        0.7253
BFGS:   33 16:33:16       -4.203656        0.7069
BFGS:   34 16:33:16       -4.234654        0.6616
BFGS:   35 16:33:16       -4.262821        0.5982
BFGS:   36 16:33:16       -4.287222        0.5030
BFGS:   37 16:33:16       -4.306087        0.3560
BFGS:   38 16:33:16       -4.318139        0.1986
BFGS:   39 16:33:17       -4.324456        0.0887
BFGS:   40 16:33:17       -4.326646        0.0104
BFGS:   41 16:33:17       -4.326676        0.0012
BFGS:   42 16:33:17       -4.326676        0.0002
BFGS:   43 16:33:17       -4.326676        0.0000
BFGS:   44 16:33:17       -4.326676        0.0000
BFGS:   45 16:33:17       -4.326676        0.0000
Minimization converged after 45 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.250463377424076e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.572240104234906, 9.03779796502698e-35, 0.0], [-1.4449117668142097e-34, 4.572240104267688, 0.0], [0.0, 0.0, 3.2330619829203626]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.02565923e-13  1.25046338e-12 -6.09012627e-13  0.00000000e+00
  0.00000000e+00 -2.67951153e-47]
energy per atom =  -2.163338005561558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC2_65_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.