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 15:44:57       -6.509036         0.010320
BFGS:    1 15:44:57       -6.509040         0.009277
BFGS:    2 15:44:57       -6.509058         0.000002
BFGS:    3 15:44:57       -6.509058         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.949458940808705e-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, -5.817049397029542e-38, -1.3637783605764714e-34], [-6.349753444343021e-34, 3.2353571726344406, -6.681470313338178e-23], [8.956717910756845e-34, -6.681470313528665e-23, 3.2353571726344406]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.94945894e-11 -4.94945894e-11 -4.94945894e-11 -2.04815119e-28
  3.92513628e-34 -4.26358535e-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