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_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== 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 18:15:04      -12.833497        0.1460
BFGS:    1 18:15:04      -12.834287        0.1062
BFGS:    2 18:15:04      -12.835101        0.0112
BFGS:    3 18:15:04      -12.835109        0.0007
BFGS:    4 18:15:04      -12.835109        0.0000
BFGS:    5 18:15:04      -12.835109        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9874727559618464e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.562328092348967, 1.7614535918816362e-35, 1.828296033394599e-32], [4.5985325953500845e-33, 3.562328092348967, 6.515188807930553e-23], [-1.2158523334122118e-32, 6.515188811621855e-23, 3.562328092348967]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.98747276e-11 -4.98747276e-11 -4.98747276e-11  5.70197923e-27
  8.09415249e-35 -1.48860232e-50]
energy per atom =  -6.417554674683821
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0