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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_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 09:37:14       -6.545525        0.2414
BFGS:    1 09:37:14       -6.547901        0.2180
BFGS:    2 09:37:14       -6.557811        0.0198
BFGS:    3 09:37:14       -6.557884        0.0017
BFGS:    4 09:37:14       -6.557884        0.0000
BFGS:    5 09:37:14       -6.557884        0.0000
BFGS:    6 09:37:14       -6.557884        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.571017876431127e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2866419722662807, -2.438260751534e-32, -2.9254136323914245e-33], [-3.5433843121381025e-33, 3.2866419722662807, -1.1665382486391636e-17], [4.6095405723220046e-33, -1.1665382486391639e-17, 3.2866419722662807]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.57101788e-15 -6.57101788e-15 -6.57101788e-15 -1.92546216e-31
  5.94311914e-36  1.50757491e-52]
energy per atom =  -3.2789420856260887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0