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_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_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 17:31:03       -2.156866         0.398100
BFGS:    1 17:31:03       -2.161843         0.187377
BFGS:    2 17:31:03       -2.163333         0.010692
BFGS:    3 17:31:03       -2.163338         0.000315
BFGS:    4 17:31:03       -2.163338         0.000001
BFGS:    5 17:31:03       -2.163338         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.605286577192136e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.233064972518398, -3.3750808329205025e-33, 3.5047580265519395e-34], [-1.1788538792323698e-34, 3.233064972518398, 3.589461980846068e-18], [1.2027258567913493e-34, 3.58946198084607e-18, 3.233064972518398]])
forces =  [[0. 0. 0.]]
stress =  [-8.60528658e-13 -8.60528658e-13 -8.60528658e-13 -2.58878824e-29
 -6.97647923e-37 -2.62799825e-53]
energy per atom =  -2.1633376036966077
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0