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 15:44:58       -6.545525         0.241390
BFGS:    1 15:44:58       -6.547901         0.218036
BFGS:    2 15:44:58       -6.557811         0.019783
BFGS:    3 15:44:58       -6.557884         0.001744
BFGS:    4 15:44:58       -6.557884         0.000015
BFGS:    5 15:44:58       -6.557884         0.000000
BFGS:    6 15:44:58       -6.557884         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.1590809825022515e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2866419722662816, 1.2931841404733225e-32, 1.5200773858939421e-32], [7.623188895864969e-33, 3.2866419722662816, -1.3560700644014805e-17], [8.803894667587865e-33, -1.3560700644014801e-17, 3.2866419722662816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.15908098e-15 -6.15908098e-15 -6.15908098e-15  3.48785441e-32
  4.75449531e-35 -8.13319173e-53]
energy per atom =  -3.278942085626089
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0