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_KimKimJung_2016_AlTi__MO_618133763375_002
==== 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 16:48:30       -6.483084         0.044368
BFGS:    1 16:48:30       -6.483162         0.036959
BFGS:    2 16:48:30       -6.483335         0.000385
BFGS:    3 16:48:30       -6.483336         0.000003
BFGS:    4 16:48:30       -6.483336         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.713434866375985e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.226916660567202, 1.3144398677010134e-33, -1.2566342799346575e-34], [1.7516660662619696e-33, 3.226916660567202, -5.120798443101501e-22], [-9.827397008117881e-34, -5.120798443087181e-22, 3.226916660567202]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.71343487e-11  1.71343487e-11  1.71343487e-11 -1.98521761e-27
 -1.23303024e-35  3.29983600e-52]
energy per atom =  -3.241667758952606
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0