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_PunMishin_2009_NiAl__MO_751354403791_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 13:54:07       -6.509036        0.0103
BFGS:    1 13:54:07       -6.509040        0.0093
BFGS:    2 13:54:07       -6.509058        0.0000
BFGS:    3 13:54:07       -6.509058        0.0000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9494589408087056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2353571726344406, 7.619471451087904e-33, 3.826881643710951e-33], [5.714632673821631e-33, 3.2353571726344406, -6.681470313592161e-23], [-1.4756805528377164e-33, -6.681470313528665e-23, 3.2353571726344406]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.94945894e-11 -4.94945894e-11 -4.94945894e-11 -4.28249646e-27
  4.90642035e-34  1.30804426e-50]
energy per atom =  -3.254529050231505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0