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 13:53:23      -61.860420        1.7289
BFGS:    1 13:53:23      -61.987579        1.7033
BFGS:    2 13:53:23      -62.239071        1.6494
BFGS:    3 13:53:23      -62.482227        1.5921
BFGS:    4 13:53:23      -62.716481        1.5305
BFGS:    5 13:53:23      -62.941136        1.4641
BFGS:    6 13:53:23      -63.155478        1.3930
BFGS:    7 13:53:23      -63.358780        1.3169
BFGS:    8 13:53:23      -63.550307        1.2359
BFGS:    9 13:53:23      -63.729310        1.1499
BFGS:   10 13:53:23      -63.895032        1.0588
BFGS:   11 13:53:23      -64.046700        0.9625
BFGS:   12 13:53:23      -64.183537        0.8612
BFGS:   13 13:53:23      -64.304870        0.7560
BFGS:   14 13:53:23      -64.410137        0.6470
BFGS:   15 13:53:23      -64.498768        0.5341
BFGS:   16 13:53:23      -64.570181        0.4174
BFGS:   17 13:53:23      -64.623775        0.2965
BFGS:   18 13:53:23      -64.658929        0.1716
BFGS:   19 13:53:23      -64.675061        0.0428
BFGS:   20 13:53:23      -64.676109        0.0009
BFGS:   21 13:53:23      -64.676110        0.0000
BFGS:   22 13:53:23      -64.676110        0.0000
Minimization converged after 22 steps.
Maximum force component: 6.951059003430653e-31 eV/Angstrom
Maximum stress component: 1.9005504903439537e-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 8.55566592e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.51979157e-49]
 [0.00000000e+00 5.00000000e-01 8.55566592e-36]
 [0.00000000e+00 1.19779323e-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([[5.627644775520251, -7.133145722017818e-33, 2.868201408521751e-33], [-2.7254806145170757e-32, 5.627644775520251, -2.654869623346222e-19], [-2.4100489870517126e-33, -2.6548696233462423e-19, 5.627644775520251]])
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]
 [ 1.73415193e-32  3.75732919e-32  6.15623937e-31]
 [ 7.65917104e-32 -3.03476589e-32  4.02467761e-31]
 [ 4.91343048e-32  8.95978499e-32 -6.82099761e-31]
 [ 2.48561777e-31 -8.23722169e-32 -3.93074438e-31]
 [ 9.82686096e-32  9.24881032e-32 -3.87293932e-31]
 [-5.78050645e-33 -8.67075967e-33 -4.21976971e-31]
 [-5.78050645e-32  3.17927855e-32  6.95105900e-31]
 [-2.31220258e-32  9.82686096e-32  4.43653870e-31]]
stress =  [ 1.90055049e-11  1.90055049e-11  1.90055049e-11 -7.57393024e-29
 -4.54060681e-34  3.92868470e-52]
energy per atom =  -4.0422568599462005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0