element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
EAM_Mendelev_2019_CuZr__MO_945018740343_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:22:46      -25.749402         0.147215
BFGS:    1 15:22:46      -25.750257         0.123880
BFGS:    2 15:22:46      -25.752442         0.008991
BFGS:    3 15:22:46      -25.752455         0.000576
BFGS:    4 15:22:46      -25.752455         0.000003
BFGS:    5 15:22:46      -25.752455         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.688524563844452e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.57613131e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.31075763e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.31075763e-37]]
cellpar =  Cell([[4.5446780952956995, -6.380113103255399e-35, -1.42536565835655e-32], [-1.6621808668137955e-34, 4.5446780952956995, -1.4836248238331846e-20], [1.451198117332583e-32, -1.4836248238344698e-20, 4.5446780952956995]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.68852456e-11 -3.68852456e-11 -3.68852456e-11 -1.66025545e-27
  6.21645755e-36  1.63381505e-52]
energy per atom =  -6.438113660566922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0