element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
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 =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:15:01      -12.438499        0.2005
BFGS:    1 18:15:01      -12.439892        0.1241
BFGS:    2 18:15:01      -12.440776        0.0033
BFGS:    3 18:15:01      -12.440777        0.0001
BFGS:    4 18:15:01      -12.440777        0.0000
BFGS:    5 18:15:01      -12.440777        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.412483059795528e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5887651295006924, -2.0058425540516588e-33, 1.7184319721334235e-33], [1.6037827160819702e-32, 3.5887651295006924, -8.268579521618219e-20], [-1.9493000883730276e-32, -8.268579521616989e-20, 3.5887651295006924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.41248306e-15 -9.41248306e-15 -9.41248306e-15  3.93492932e-30
 -2.99075205e-35  7.19066581e-51]
energy per atom =  -6.220388554211493
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0