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 17:24:57      -25.406964        0.0267
BFGS:    1 17:24:57      -25.406992        0.0229
BFGS:    2 17:24:57      -25.407071        0.0005
BFGS:    3 17:24:57      -25.407071        0.0000
BFGS:    4 17:24:57      -25.407071        0.0000
BFGS:    5 17:24:57      -25.407071        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.433406462148026e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.13241209e-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, -1.812768942452361e-33, 6.260225649811464e-34], [-1.8137765766006877e-33, 4.531661493682327, 2.5120821104275262e-20], [-2.570128446866218e-33, 2.5120821104276965e-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 -4.33194572e-29
  1.00035532e-34  1.28319646e-50]
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