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_Dynamo_ZhouJohnsonWadley_2004_Zr__MO_103270551167_005
==== 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 16:23:25      -25.406964         0.026712
BFGS:    1 16:23:25      -25.406992         0.022868
BFGS:    2 16:23:25      -25.407071         0.000492
BFGS:    3 16:23:25      -25.407071         0.000024
BFGS:    4 16:23:25      -25.407071         0.000000
BFGS:    5 16:23:25      -25.407071         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4334064621480255e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.01976556e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.531661493682327, 3.6262961786218184e-33, -1.2704881237214366e-32], [5.4403691013044715e-33, 4.531661493682327, 2.644057822559608e-20], [-1.660388573654383e-32, 2.6440578225610584e-20, 4.531661493682327]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.43340646e-13 -1.43340646e-13 -1.43340646e-13 -4.26878798e-29
  6.61234250e-61 -4.63935044e-62]
energy per atom =  -6.351767699411667
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0