element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6015']
model name:
Sim_LAMMPS_BOP_WardZhouWong_2012_CdTe__SM_509819366101_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.6015, 0, 0], [0, 6.6015, 0], [0, 0, 6.6015]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:05:44      -16.969025         1.063182
BFGS:    1 19:05:44      -17.015917         0.995278
BFGS:    2 19:05:44      -17.148930         0.780286
BFGS:    3 19:05:44      -17.250565         0.576868
BFGS:    4 19:05:44      -17.322573         0.385099
BFGS:    5 19:05:45      -17.366628         0.204034
BFGS:    6 19:05:45      -17.384349         0.033991
BFGS:    7 19:05:45      -17.384871         0.001149
BFGS:    8 19:05:45      -17.384872         0.000015
BFGS:    9 19:05:45      -17.384872         0.000000
BFGS:   10 19:05:45      -17.384872         0.000000
Minimization converged after 10 steps.
Maximum force component: 5.260770213748494e-32 eV/Angstrom
Maximum stress component: 4.829049433096716e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[2.56316074e-34 0.00000000e+00 2.56790659e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.02488358e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.51244179e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.828870163579976, -2.1436554462493422e-33, -1.6642992834562613e-32], [-9.81931818925883e-33, 6.828870163579976, 3.129667089833744e-17], [7.067973701032309e-34, 3.1296670898337425e-17, 6.828870163579976]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.01436028e-33 -7.01436028e-33 -7.01436028e-33]
 [-7.01436028e-33 -7.01436028e-33 -3.21467710e-50]
 [-7.25995851e-67 -3.21467710e-50 -7.01436028e-33]
 [ 3.50718014e-33 -2.45502610e-32 -1.92894908e-32]
 [ 3.50718014e-33 -7.01436028e-33 -5.26077021e-32]
 [ 1.75359007e-33 -2.14814784e-32  1.22751305e-32]
 [ 7.01436028e-33 -8.76795036e-33 -5.26077021e-32]]
stress =  [-4.82904943e-15 -4.82904943e-15 -4.82904943e-15 -5.89343151e-32
  4.40525952e-35 -2.38844409e-51]
energy per atom =  -2.1731089669066113
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0