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 15:17:57      -16.969025         1.063182
BFGS:    1 15:17:57      -17.015917         0.995278
BFGS:    2 15:17:57      -17.148930         0.780286
BFGS:    3 15:17:57      -17.250565         0.576868
BFGS:    4 15:17:57      -17.322573         0.385099
BFGS:    5 15:17:57      -17.366628         0.204034
BFGS:    6 15:17:57      -17.384349         0.033991
BFGS:    7 15:17:58      -17.384871         0.001149
BFGS:    8 15:17:58      -17.384872         0.000015
BFGS:    9 15:17:58      -17.384872         0.000000
BFGS:   10 15:17:58      -17.384872         0.000000
Minimization converged after 10 steps.
Maximum force component: 7.575509107797832e-31 eV/Angstrom
Maximum stress component: 4.94418544051665e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[3.84755796e-34 3.85185989e-34 3.85185989e-34]
 [3.85301548e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.20460746e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.82027612e-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([[6.828870163579975, 1.7265504635465296e-32, 6.266392991752938e-35], [-8.035484822430544e-34, 6.828870163579975, 3.564837949990991e-18], [-1.8136860869551154e-33, 3.564837949990987e-18, 6.828870163579975]])
forces =  [[-2.63038511e-33 -2.60298526e-33 -2.19198759e-33]
 [-3.50718014e-33 -3.50718014e-33 -3.50718014e-33]
 [-3.50718014e-33 -3.12358231e-33 -2.63038511e-33]
 [-2.24678728e-33 -2.63038511e-33 -3.06878262e-33]
 [-9.11866837e-32 -3.99818536e-31  1.89387728e-31]
 [ 7.71579631e-32  4.38397518e-31  6.41813966e-31]
 [-1.47301566e-31 -3.22660573e-31  5.40105742e-31]
 [ 4.20861617e-32  5.05033941e-31  7.57550911e-31]]
stress =  [-4.94418544e-15 -4.94418544e-15 -4.94418544e-15 -1.73623042e-31
  4.81825260e-36  2.44610625e-52]
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