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 14:23:31      -19.391696        0.8610
BFGS:    1 14:23:31      -19.422772        0.8232
BFGS:    2 14:23:31      -19.534214        0.6599
BFGS:    3 14:23:31      -19.619870        0.4791
BFGS:    4 14:23:32      -19.676972        0.2790
BFGS:    5 14:23:32      -19.702561        0.0588
BFGS:    6 14:23:32      -19.703674        0.0035
BFGS:    7 14:23:32      -19.703678        0.0000
BFGS:    8 14:23:32      -19.703678        0.0000
BFGS:    9 14:23:32      -19.703678        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.935232455978865e-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]
 [9.84437945e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.54189295e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.77094648e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.92218972e-49 5.00000000e-01 1.38547324e-34]
 [2.46109486e-49 2.77094648e-34 5.00000000e-01]]
cellpar =  Cell([[5.560352640126055, 2.4568858218127481e-32, 1.7953340545300085e-32], [2.118000048406399e-32, 5.560352640126055, -1.3855976228098781e-17], [-1.658114695112495e-32, -1.3855976228098758e-17, 5.560352640126055]])
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 =  [-8.93523246e-15 -8.93523246e-15 -8.93523246e-15 -8.56302411e-32
 -1.32890683e-34 -3.06588242e-52]
energy per atom =  -2.462959763921119
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0