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_JeongParkDo_2018_PdAl__MO_616482358807_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 10:13:31       -6.483084         0.044368
BFGS:    1 10:13:31       -6.483162         0.036959
BFGS:    2 10:13:31       -6.483336         0.000385
BFGS:    3 10:13:31       -6.483336         0.000003
BFGS:    4 10:13:31       -6.483336         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7190516107170817e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.226916644712767, -9.572839999457763e-34, -7.518447620650581e-33], [2.550707308941939e-33, 3.226916644712767, -1.128108339392325e-18], [9.27503980522421e-33, -1.1281083393923336e-18, 3.226916644712767]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.71905161e-11  1.71905161e-11  1.71905161e-11  9.40987624e-28
  6.16515126e-36 -1.41268398e-51]
energy per atom =  -3.2416677682710606
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0