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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_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 15:09:22      -13.446894         0.098129
BFGS:    1 15:09:22      -13.447283         0.086876
BFGS:    2 15:09:22      -13.448709         0.001411
BFGS:    3 15:09:22      -13.448709         0.000023
BFGS:    4 15:09:22      -13.448709         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.653747476399793e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.41396783e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.051526348313502, -1.2677644279649458e-34, -1.8485547133256156e-36], [-2.886383847024478e-39, 4.051526348313502, -2.0290179372306292e-22], [1.4271276755740878e-34, -2.0290179372318973e-22, 4.051526348313502]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.65374748e-10 -3.65374748e-10 -3.65374748e-10  4.49961118e-26
  4.88868336e-37 -1.07426187e-52]
energy per atom =  -3.3621773198649563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0