element(s):
['Al', 'Fe']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.0271']
Parameter values for parameter set 1:
['2.8666']
model name:
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0271, 0, 0], [0, 3.0271, 0], [0, 0, 3.0271]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:29       -7.655767        2.0227
BFGS:    1 14:42:29       -7.815624        1.6488
BFGS:    2 14:42:29       -8.002917        0.8071
BFGS:    3 14:42:29       -8.045495        0.2723
BFGS:    4 14:42:29       -8.049751        0.0336
BFGS:    5 14:42:29       -8.049821        0.0012
BFGS:    6 14:42:29       -8.049821        0.0000
BFGS:    7 14:42:29       -8.049821        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0522215725299084e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8513367170180612, -7.778578261122475e-34, 1.7785442315761224e-33], [-5.221618302766149e-33, 2.8513367170180612, -1.7200855684488526e-17], [1.7806514004199273e-33, -1.720085568448853e-17, 2.8513367170180612]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.05222157e-10  3.05222157e-10  3.05222157e-10  2.05178000e-26
 -7.58042318e-34 -2.21748155e-50]
energy per atom =  -4.02491031674051
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8666, 0, 0], [0, 2.8666, 0], [0, 0, 2.8666]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:31       -8.046168        0.2261
BFGS:    1 14:42:31       -8.048035        0.1592
BFGS:    2 14:42:31       -8.049818        0.0058
BFGS:    3 14:42:31       -8.049821        0.0001
BFGS:    4 14:42:31       -8.049821        0.0000
BFGS:    5 14:42:31       -8.049821        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7726354124127457e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8513367167838544, 8.649744806630864e-33, 3.0523271337940353e-33], [8.637644588600286e-33, 2.8513367167838544, -1.6096203587005465e-19], [4.999577485111289e-33, -1.6096203587004885e-19, 2.8513367167838544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.77263541e-12 -2.77263541e-12 -2.77263541e-12 -8.45137952e-28
 -1.57925483e-35 -5.35101538e-51]
energy per atom =  -4.024910316740538
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0