element(s):
['Te']
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:
['3.1977']
model name:
Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[3.1977, 0, 0], [0, 3.1977, 0], [0, 0, 3.1977]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:17:28       -2.156866        0.3981
BFGS:    1 14:17:28       -2.161843        0.1874
BFGS:    2 14:17:28       -2.163333        0.0107
BFGS:    3 14:17:28       -2.163338        0.0003
BFGS:    4 14:17:28       -2.163338        0.0000
BFGS:    5 14:17:28       -2.163338        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.605853280828377e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.233064972518397, 5.7511093378699775e-33, 2.0189063785547186e-33], [1.0540024203344721e-32, 3.233064972518397, 3.521887483603517e-18], [-2.5438722347514543e-33, 3.5218874836035296e-18, 3.233064972518397]])
forces =  [[0. 0. 0.]]
stress =  [-8.60585328e-13 -8.60585328e-13 -8.60585328e-13 -6.24253123e-30
 -1.27798081e-37 -1.50194840e-54]
energy per atom =  -2.1633376036966085
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0