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:
EAM_Dynamo_Mendelev_2007_Zr__MO_848899341753_000
==== 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 18:15:01      -13.063445        0.0079
BFGS:    1 18:15:01      -13.063447        0.0060
BFGS:    2 18:15:01      -13.063450        0.0000
BFGS:    3 18:15:01      -13.063450        0.0000
BFGS:    4 18:15:01      -13.063450        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.673287632295036e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5759271697690904, -2.87443855682405e-34, -1.781957118822957e-33], [-1.3973246307365077e-37, 3.5759271697690904, -2.66513102621836e-22], [1.5870634262692496e-33, -2.665131026224105e-22, 3.5759271697690904]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.67328763e-14 -5.67328763e-14 -5.67328763e-14  1.53152236e-29
  2.00817655e-35 -1.95965948e-51]
energy per atom =  -6.531725136693378
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0