element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:09:21      -13.438917         0.066183
BFGS:    1 15:09:21      -13.439096         0.060463
BFGS:    2 15:09:21      -13.440000         0.000288
BFGS:    3 15:09:21      -13.440000         0.000001
BFGS:    4 15:09:21      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.164919710274496e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.050000003169449, -5.389430139130628e-34, -1.2699638514371992e-34], [4.719851303431317e-33, 4.050000003169449, -2.2374277588176954e-18], [2.31489610998072e-36, -2.237427758817696e-18, 4.050000003169449]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.16491971e-12 -1.16491971e-12 -1.16491971e-12  1.04854176e-29
  2.66144868e-34 -2.60762466e-51]
energy per atom =  -3.3599999878068725
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0