element(s):
['Cd', 'Se']
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:
['5.7212']
model name:
Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Se']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7212, 0, 0], [0, 5.7212, 0], [0, 0, 5.7212]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:18:49      -19.391696         0.860991
BFGS:    1 20:18:49      -19.422772         0.823226
BFGS:    2 20:18:49      -19.534214         0.659929
BFGS:    3 20:18:50      -19.619870         0.479065
BFGS:    4 20:18:50      -19.676972         0.278986
BFGS:    5 20:18:50      -19.702561         0.058800
BFGS:    6 20:18:50      -19.703674         0.003482
BFGS:    7 20:18:50      -19.703678         0.000040
BFGS:    8 20:18:50      -19.703678         0.000000
BFGS:    9 20:18:50      -19.703678         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.83514944965438e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.46109486e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.38547324e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [7.38328459e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.560352640126053, 1.90931141411162e-32, 2.7758491363540686e-32], [1.8575589583141608e-32, 5.560352640126053, -1.2451102367532324e-17], [-2.3419149545802625e-32, -1.2451102367532265e-17, 5.560352640126053]])
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 =  [-9.83514945e-15 -9.83514945e-15 -9.83514945e-15  6.60888674e-33
 -1.79402422e-33 -2.86500537e-50]
energy per atom =  -2.4629597639211194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0