element(s):
['Se']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8311']
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 =  221
cell =  [[2.8311, 0, 0], [0, 2.8311, 0], [0, 0, 2.8311]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:31:02       -2.237823         2.456551
BFGS:    1 17:31:02       -2.399577         0.645829
BFGS:    2 17:31:02       -2.413292         0.103069
BFGS:    3 17:31:02       -2.413705         0.013553
BFGS:    4 17:31:02       -2.413713         0.000412
BFGS:    5 17:31:02       -2.413713         0.000002
BFGS:    6 17:31:02       -2.413713         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0289559459085686e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.973669948882754, 7.731092926866082e-33, -9.741463159399528e-33], [2.9973229319432463e-33, 2.973669948882754, 6.0567175089956346e-18], [8.265442976486173e-33, 6.056717508995637e-18, 2.973669948882754]])
forces =  [[0. 0. 0.]]
stress =  [-1.02895595e-11 -1.02895595e-11 -1.02895595e-11 -1.57519615e-28
  1.81498781e-35 -1.62975671e-52]
energy per atom =  -2.4137127333626323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0