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_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_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 17:24:05      -24.924261        0.3849
BFGS:    1 17:24:05      -24.930229        0.3380
BFGS:    2 17:24:05      -24.945742        0.0879
BFGS:    3 17:24:05      -24.946798        0.0021
BFGS:    4 17:24:05      -24.946798        0.0000
BFGS:    5 17:24:05      -24.946798        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0046012496354299e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.27471251e-50 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([[4.570624844984414, 2.2435130896657234e-33, -3.0016307146947485e-32], [-2.247396575291489e-34, 4.570624844984414, -6.731212268542066e-19], [-1.951814467154198e-33, -6.731212268542429e-19, 4.570624844984414]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.00460125e-10  1.00460125e-10  1.00460125e-10  9.36873188e-27
  2.45843124e-35 -5.95914681e-51]
energy per atom =  -6.2366996066041525
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0