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_LeeLee_2014_ZrH__MO_946208788356_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 16:28:50      -12.689629         0.060892
BFGS:    1 16:28:50      -12.689763         0.041850
BFGS:    2 16:28:50      -12.689884         0.000263
BFGS:    3 16:28:50      -12.689884         0.000001
BFGS:    4 16:28:50      -12.689884         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.395356631870424e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5800940481789936, -7.1746894043802656e-34, 1.1889453637673926e-34], [-7.171376284272746e-34, 3.5800940481789936, -8.602038618945702e-23], [-9.936544598426049e-34, -8.602038618902693e-23, 3.5800940481789936]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39535663e-12 -1.39535663e-12 -1.39535663e-12 -7.60863381e-29
  1.45547234e-61  1.00283977e-61]
energy per atom =  -6.34494200602397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0