element(s):
['Al']
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:
['3.233']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:48       -6.479728        0.1046
BFGS:    1 13:54:48       -6.480158        0.0875
BFGS:    2 13:54:48       -6.481149        0.0019
BFGS:    3 13:54:48       -6.481150        0.0000
BFGS:    4 13:54:48       -6.481150        0.0000
BFGS:    5 13:54:48       -6.481150        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.518222293350069e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.218456080216094, 1.1255074414791167e-32, -7.777374623300512e-34], [1.1643762193277117e-32, 3.218456080216094, -6.2435111833007346e-24], [-3.531778703136767e-33, -6.2435111781146056e-24, 3.218456080216094]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.51822229e-15 -5.51822229e-15 -5.51822229e-15  2.46207390e-31
  1.23952147e-34 -6.34002926e-51]
energy per atom =  -3.24057477453612
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0