element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
model name:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:19:59      -12.386911         0.381882
BFGS:    1 17:19:59      -12.392428         0.291990
BFGS:    2 17:19:59      -12.399926         0.013345
BFGS:    3 17:19:59      -12.399941         0.000434
BFGS:    4 17:19:59      -12.399941         0.000001
BFGS:    5 17:19:59      -12.399941         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.265283248344805e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5350125667484247, 5.190712375420747e-33, 3.7807358357210916e-34], [1.640635848837194e-32, 3.5350125667484247, 6.848984122915137e-18], [-3.389380552158374e-33, 6.8489841229151375e-18, 3.5350125667484247]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.26528325e-12 -1.26528325e-12 -1.26528325e-12  1.48709314e-28
 -8.21972503e-35  5.31708913e-51]
energy per atom =  -6.199970424568964
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0