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_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000
==== 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 20:10:50      -17.104127         0.397389
BFGS:    1 20:10:50      -17.110770         0.382716
BFGS:    2 20:10:51      -17.158247         0.248924
BFGS:    3 20:10:51      -17.185028         0.106714
BFGS:    4 20:10:51      -17.190759         0.005722
BFGS:    5 20:10:52      -17.190775         0.000120
BFGS:    6 20:10:52      -17.190775         0.000000
BFGS:    7 20:10:52      -17.190775         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.4654255730364503e-31 eV/Angstrom
Maximum stress component: 1.1248135118109439e-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 1.17549435e-38]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[6.484878919852637, -7.1004490280135815e-34, -1.1146347600340822e-32], [5.1477341346535315e-33, 6.484878919852637, -8.281976189898255e-18], [-5.008135051043164e-34, -8.281976189898265e-18, 6.484878919852637]])
forces =  [[-1.99830760e-32 -9.99153800e-33 -1.33220507e-32]
 [-1.53482636e-65 -1.99830760e-32 -6.66102533e-33]
 [-1.33220507e-32 -6.66102533e-33 -6.66102533e-33]
 [-1.99830760e-32 -6.66102533e-33  1.99830760e-32]
 [-2.33135887e-32 -1.46542557e-31 -1.06576405e-31]
 [-1.83178197e-32  1.09906918e-31 -9.99153800e-33]
 [-1.66525633e-32 -9.65848673e-32  9.99153800e-33]
 [ 2.66441013e-32  1.06576405e-31 -2.33135887e-32]]
stress =  [-1.12481351e-13 -1.12481351e-13 -1.12481351e-13  1.95232738e-29
 -1.52656566e-35  9.38791856e-52]
energy per atom =  -2.14884683580036
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0