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_002
==== 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 17:19:56      -12.689629         0.060892
BFGS:    1 17:19:56      -12.689763         0.041850
BFGS:    2 17:19:56      -12.689884         0.000263
BFGS:    3 17:19:56      -12.689884         0.000001
BFGS:    4 17:19:56      -12.689884         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3950213284733096e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.580094048197031, 1.641451559311128e-39, -2.6299057826490363e-34], [-2.295275297675081e-33, 3.580094048197031, 3.188070751595833e-23], [-4.181193129122657e-33, 3.188070751490923e-23, 3.580094048197031]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39502133e-12 -1.39502133e-12 -1.39502133e-12 -1.17045490e-29
  7.05983732e-61  1.36975949e-61]
energy per atom =  -6.3449420064122135
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0