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_MendelevAckland_2007v3_Zr__MO_004835508849_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 16:17:30      -13.063445         0.007930
BFGS:    1 16:17:30      -13.063447         0.005982
BFGS:    2 16:17:30      -13.063450         0.000026
BFGS:    3 16:17:30      -13.063450         0.000000
BFGS:    4 16:17:30      -13.063450         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.673287632295038e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5759271697690904, 2.0105059419681753e-33, -5.6092071950754004e-33], [-3.447064429355578e-33, 3.5759271697690904, -2.665131026172401e-22], [5.418578745373894e-33, -2.665131026258574e-22, 3.5759271697690904]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.67328763e-14 -5.67328763e-14 -5.67328763e-14  6.97879956e-32
  2.00817655e-35 -2.96243927e-52]
energy per atom =  -6.531725136693378
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0