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:
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
==== 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 11:15:15       -6.534736         0.013105
BFGS:    1 11:15:16       -6.534743         0.011537
BFGS:    2 11:15:16       -6.534767         0.000004
BFGS:    3 11:15:16       -6.534767         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5059394856357125e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2355297111955847, 7.61903522030301e-33, -3.388112261443984e-33], [-7.619214712151179e-33, 3.2355297111955847, 3.552652693095609e-23], [4.311862021203052e-33, 3.552652692968642e-23, 3.2355297111955847]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.50593949e-11 -2.50593949e-11 -2.50593949e-11  5.56439080e-27
  1.22647427e-35 -1.36194019e-51]
energy per atom =  -3.257514471598875
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0