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_MendelevAckland_2007_Zr__MO_537826574817_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 17:24:04      -26.320720        0.0702
BFGS:    1 17:24:04      -26.320918        0.0614
BFGS:    2 17:24:04      -26.321578        0.0015
BFGS:    3 17:24:04      -26.321578        0.0000
BFGS:    4 17:24:04      -26.321578        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4750765353867084e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.26174089e-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([[4.537839204157521, -8.480534518599575e-34, -1.0867688382232005e-33], [-4.528151142647921e-33, 4.537839204157521, 4.480636379202411e-20], [1.0641758521616358e-32, 4.4806363792013314e-20, 4.537839204157521]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.47507654e-10  1.47507654e-10  1.47507654e-10 -3.43934066e-26
  6.23520908e-36 -7.59717984e-53]
energy per atom =  -6.580394579481355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0