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 15:09:21       -2.237823         2.456551
BFGS:    1 15:09:21       -2.399577         0.645829
BFGS:    2 15:09:22       -2.413292         0.103069
BFGS:    3 15:09:22       -2.413705         0.013553
BFGS:    4 15:09:22       -2.413713         0.000412
BFGS:    5 15:09:22       -2.413713         0.000002
BFGS:    6 15:09:22       -2.413713         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0289376744533822e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.9736699488827543, 7.385663973665497e-33, -9.741463189227086e-33], [2.7382690537484812e-33, 2.9736699488827543, 6.056710916914444e-18], [7.52300726988999e-33, 6.0567109169144465e-18, 2.9736699488827543]])
forces =  [[0. 0. 0.]]
stress =  [-1.02893767e-11 -1.02893767e-11 -1.02893767e-11 -1.23104709e-27
 -1.63363801e-59 -2.21390085e-60]
energy per atom =  -2.413712733362633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0