element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1081']
model name:
Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.1081, 0, 0], [0, 6.1081, 0], [0, 0, 6.1081]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:18:48      -16.113126         0.853964
BFGS:    1 19:18:48      -16.143789         0.821446
BFGS:    2 19:18:48      -16.256174         0.672850
BFGS:    3 19:18:48      -16.346726         0.511203
BFGS:    4 19:18:48      -16.409366         0.320381
BFGS:    5 19:18:48      -16.441795         0.108680
BFGS:    6 19:18:48      -16.445721         0.007555
BFGS:    7 19:18:48      -16.445739         0.000151
BFGS:    8 19:18:48      -16.445739         0.000000
BFGS:    9 19:18:48      -16.445739         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1325122340460665e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.15428223e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.56294130e-68 0.00000000e+00]
 [2.88570559e-50 5.00000000e-01 0.00000000e+00]
 [8.36854620e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.927733663054962, -3.6055901679469044e-33, 4.163075982327774e-34], [2.031952675214374e-33, 5.927733663054962, 1.3481405817046889e-17], [-2.8941012160774175e-33, 1.3481405817046884e-17, 5.927733663054962]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.13251223e-13 -2.13251223e-13 -2.13251223e-13  7.75820095e-29
 -1.63700451e-33  3.08175821e-49]
energy per atom =  -2.055717426108117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0