element(s):
['Al', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9793']
model name:
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.9793, 0, 0], [0, 5.9793, 0], [0, 0, 5.9793]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:42      -61.860420         1.728869
BFGS:    1 12:16:42      -61.987579         1.703350
BFGS:    2 12:16:42      -62.239071         1.649359
BFGS:    3 12:16:42      -62.482227         1.592113
BFGS:    4 12:16:42      -62.716481         1.530482
BFGS:    5 12:16:42      -62.941136         1.464121
BFGS:    6 12:16:42      -63.155478         1.392959
BFGS:    7 12:16:42      -63.358780         1.316919
BFGS:    8 12:16:42      -63.550307         1.235934
BFGS:    9 12:16:42      -63.729310         1.149934
BFGS:   10 12:16:42      -63.895032         1.058827
BFGS:   11 12:16:42      -64.046700         0.962548
BFGS:   12 12:16:42      -64.183537         0.861191
BFGS:   13 12:16:42      -64.304870         0.755955
BFGS:   14 12:16:42      -64.410137         0.646965
BFGS:   15 12:16:42      -64.498768         0.534142
BFGS:   16 12:16:42      -64.570181         0.417365
BFGS:   17 12:16:42      -64.623775         0.296514
BFGS:   18 12:16:42      -64.658929         0.171593
BFGS:   19 12:16:42      -64.675061         0.042837
BFGS:   20 12:16:42      -64.676109         0.000897
BFGS:   21 12:16:42      -64.676110         0.000004
BFGS:   22 12:16:42      -64.676110         0.000000
Minimization converged after 22 steps.
Maximum force component: 4.877302315296977e-31 eV/Angstrom
Maximum stress component: 1.9006519842911957e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.36890655e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.86333301e-49 4.86333301e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.05335982e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.6276447755202526, 2.7092618036811686e-32, -2.997060107292037e-32], [-2.0929477386469477e-32, 5.6276447755202526, 2.053502088843084e-18], [1.3881359363576876e-33, 2.053502088843051e-18, 5.6276447755202526]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91343048e-32  3.49720640e-31  3.09257095e-31]
 [ 1.05855524e-31 -1.18500382e-31  2.89747886e-31]
 [-1.25726015e-31  3.67062159e-31 -2.65903297e-31]
 [ 9.53783564e-32 -6.35855709e-32 -4.24867224e-31]
 [-1.64744434e-31  1.67634687e-31 -4.71111275e-31]
 [ 5.41922479e-32 -4.87730232e-31 -2.48561777e-31]
 [ 2.60122790e-32 -4.77614345e-31  4.56660009e-31]
 [-2.29775131e-31  9.82686096e-32  1.98704909e-31]]
stress =  [ 1.90065198e-11  1.90065198e-11  1.90065198e-11 -1.31946115e-26
 -6.48658116e-35  2.25856492e-50]
energy per atom =  -4.042256859946197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0