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_2012_CdTe__SM_509819366101_001
==== 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 15:09:20       -2.156867         0.398119
BFGS:    1 15:09:20       -2.161843         0.187406
BFGS:    2 15:09:20       -2.163333         0.010627
BFGS:    3 15:09:20       -2.163338         0.000296
BFGS:    4 15:09:20       -2.163338         0.000001
BFGS:    5 15:09:20       -2.163338         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.279782914537534e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.2330619829179477, 4.890263692955197e-33, 8.471521531972628e-34], [1.5920753906543337e-32, 3.2330619829179477, 8.650451816665345e-20], [-1.4990081867713242e-33, 8.650451816665377e-20, 3.2330619829179477]])
forces =  [[0. 0. 0.]]
stress =  [-2.27978291e-12 -2.27978291e-12 -2.27978291e-12  4.20227374e-30
  3.58179756e-38  1.14874497e-55]
energy per atom =  -2.163338005561558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0