element(s):
['Se']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4406']
model name:
Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.4406, 0, 0], [0, 3.4406, 0], [0, 0, 3.4406]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:02       -3.174646         3.316025
BFGS:    1 17:10:03       -3.545249         1.951080
BFGS:    2 17:10:03       -3.749375         0.819022
BFGS:    3 17:10:03       -3.801780         0.168422
BFGS:    4 17:10:03       -3.804415         0.020463
BFGS:    5 17:10:03       -3.804456         0.000633
BFGS:    6 17:10:03       -3.804456         0.000002
BFGS:    7 17:10:03       -3.804456         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0331895513569756e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.688747949126978, 9.130329871801668e-33, -7.96451889097173e-34], [1.0625850036331845e-32, 3.688747949126978, 1.2747513160407093e-18], [-1.0047825729753272e-34, 1.2747513160407102e-18, 3.688747949126978]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03318955e-11 -1.03318955e-11 -1.03318955e-11  3.00350597e-29
 -1.13232869e-34 -1.17000492e-51]
energy per atom =  -1.9022277894398198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0