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 16:23:26      -24.924261         0.384870
BFGS:    1 16:23:26      -24.930229         0.337963
BFGS:    2 16:23:26      -24.945742         0.087933
BFGS:    3 16:23:26      -24.946798         0.002070
BFGS:    4 16:23:26      -24.946798         0.000015
BFGS:    5 16:23:27      -24.946798         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0046012496354306e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.98804574e-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([[4.570624844984414, 3.168330879054388e-32, -2.9931637148738853e-32], [2.85408622452915e-32, 4.570624844984414, -6.731212268542077e-19], [1.1675841629589738e-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 -3.21042775e-26
  2.45843124e-35 -5.78040809e-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