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 16:43:10       -3.343121         2.357138
BFGS:    1 16:43:10       -3.460432         1.431966
BFGS:    2 16:43:10       -3.538564         0.364899
BFGS:    3 16:43:11       -3.543892         0.080745
BFGS:    4 16:43:11       -3.544014         0.085553
BFGS:    5 16:43:11       -3.545734         0.191036
BFGS:    6 16:43:11       -3.556196         0.820384
BFGS:    7 16:43:11       -3.589417         1.466403
BFGS:    8 16:43:11       -3.634492         1.612817
BFGS:    9 16:43:11       -3.673950         1.527260
BFGS:   10 16:43:11       -3.705457         1.428707
BFGS:   11 16:43:11       -3.731367         1.346050
BFGS:   12 16:43:11       -3.752853         1.334852
BFGS:   13 16:43:11       -3.769193         1.355023
BFGS:   14 16:43:11       -3.779370         1.354030
BFGS:   15 16:43:11       -3.787831         1.344754
BFGS:   16 16:43:11       -3.829819         1.275883
BFGS:   17 16:43:11       -3.890120         1.094376
BFGS:   18 16:43:11       -3.938740         0.853494
BFGS:   19 16:43:11       -3.978306         0.545295
BFGS:   20 16:43:11       -4.005147         0.443219
BFGS:   21 16:43:11       -4.014418         0.248046
BFGS:   22 16:43:11       -4.015651         0.150388
BFGS:   23 16:43:11       -4.015853         0.108135
BFGS:   24 16:43:11       -4.015973         0.095724
BFGS:   25 16:43:11       -4.016757         0.071278
BFGS:   26 16:43:11       -4.021674         0.380828
BFGS:   27 16:43:11       -4.029580         0.496320
BFGS:   28 16:43:11       -4.043280         0.554567
BFGS:   29 16:43:11       -4.070495         0.562007
BFGS:   30 16:43:11       -4.102078         0.645226
BFGS:   31 16:43:11       -4.136053         0.636406
BFGS:   32 16:43:11       -4.170516         0.725279
BFGS:   33 16:43:12       -4.203656         0.706883
BFGS:   34 16:43:12       -4.234654         0.661584
BFGS:   35 16:43:12       -4.262821         0.598224
BFGS:   36 16:43:12       -4.287222         0.502968
BFGS:   37 16:43:12       -4.306087         0.355974
BFGS:   38 16:43:12       -4.318139         0.198578
BFGS:   39 16:43:12       -4.324456         0.088708
BFGS:   40 16:43:12       -4.326646         0.010411
BFGS:   41 16:43:12       -4.326676         0.001245
BFGS:   42 16:43:12       -4.326676         0.000159
BFGS:   43 16:43:12       -4.326676         0.000002
BFGS:   44 16:43:12       -4.326676         0.000000
BFGS:   45 16:43:12       -4.326676         0.000000
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, 5.663542407376217e-35, 0.0], [-7.961330587437845e-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 -1.47638614e-46]
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.