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:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001
==== 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 16:28:49      -12.689629         0.060892
BFGS:    1 16:28:49      -12.689763         0.041850
BFGS:    2 16:28:49      -12.689884         0.000263
BFGS:    3 16:28:49      -12.689884         0.000001
BFGS:    4 16:28:49      -12.689884         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3956637076410852e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.58009404819703, 2.5651855696140573e-41, 2.699204714939656e-34], [4.931255451576669e-35, 3.58009404819703, 4.829678977018213e-25], [-2.7225001035147456e-37, 4.8296789809174245e-25, 3.58009404819703]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39566371e-12 -1.39566371e-12 -1.39566371e-12 -4.11619894e-28
 -1.50262847e-35 -2.10376364e-51]
energy per atom =  -6.344942006412212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0