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_2004NISTretabulation_Zr__MO_380166217430_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 17:24:57      -25.406961        0.0271
BFGS:    1 17:24:57      -25.406990        0.0232
BFGS:    2 17:24:57      -25.407071        0.0001
BFGS:    3 17:24:57      -25.407071        0.0000
BFGS:    4 17:24:57      -25.407071        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.061333426475343e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.18789668e-39 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.78184501e-39]]
cellpar =  Cell([[4.5316798856157146, -6.199171976966118e-34, 2.506779839782664e-34], [1.9266328952296535e-33, 4.5316798856157146, -1.6834162934422462e-22], [3.1107626245358435e-33, -1.683416293456977e-22, 4.5316798856157146]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.06133343e-13 -1.06133343e-13 -1.06133343e-13 -8.87160456e-30
 -1.25043400e-35 -2.69897519e-51]
energy per atom =  -6.351767772245038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0