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_MendelevKramerOtt_2009_CuZr__MO_600021860456_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: 2.718707892955789e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.562328664068504, -1.4448838263139952e-32, -1.347433138507503e-32], [-1.960771624010097e-32, 3.562328664068504, -1.1365348137490078e-19], [1.0114635225172586e-33, -1.1365348137490945e-19, 3.562328664068504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.71870789e-10 -2.71870789e-10 -2.71870789e-10 -2.49678254e-26
 -2.02317020e-35 -7.23194585e-52]
energy per atom =  -6.417554674468994
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0