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_MendelevSunZhang_2019_CuZr__MO_609260676108_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 18:15:04      -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: 5.022889522482507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.562328091775064, -5.0906628485231685e-33, -2.406647004657964e-33], [8.948915246351381e-33, 3.562328091775064, 2.240078516294803e-19], [-1.4549662832112442e-32, 2.2400785162948707e-19, 3.562328091775064]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.02288952e-11 -5.02288952e-11 -5.02288952e-11  1.25772291e-26
 -2.42824575e-34  7.55315773e-51]
energy per atom =  -6.417554674684731
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0