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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 13:53:15     -173.547519        9.0773
BFGS:    1 13:53:15     -174.886766        8.7747
BFGS:    2 13:53:15     -176.179878        8.4646
BFGS:    3 13:53:15     -177.422875        8.1034
BFGS:    4 13:53:15     -178.609290        7.7099
BFGS:    5 13:53:15     -179.734128        7.2821
BFGS:    6 13:53:15     -180.792087        6.8178
BFGS:    7 13:53:15     -181.777542        6.3150
BFGS:    8 13:53:15     -182.684527        5.7711
BFGS:    9 13:53:15     -183.506713        5.1839
BFGS:   10 13:53:15     -184.237388        4.5505
BFGS:   11 13:53:15     -184.869435        3.8684
BFGS:   12 13:53:15     -185.395309        3.1344
BFGS:   13 13:53:15     -185.807286        2.3600
BFGS:   14 13:53:15     -186.098534        1.5133
BFGS:   15 13:53:15     -186.258193        0.6049
BFGS:   16 13:53:15     -186.286850        0.0360
BFGS:   17 13:53:15     -186.286949        0.0008
BFGS:   18 13:53:15     -186.286949        0.0000
BFGS:   19 13:53:15     -186.286949        0.0000
Minimization converged after 19 steps.
Maximum force component: 5.140733874872364e-31 eV/Angstrom
Maximum stress component: 2.2695100036211137e-12 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]
 [7.69976431e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.70911372e-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 2.40617635e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.03183529e-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([[5.687262006192475, 1.8054179363074976e-32, 1.7266856054423323e-32], [5.786734663367744e-32, 5.687262006192475, -3.498022181001977e-18], [7.249396614551239e-32, -3.498022181002052e-18, 5.687262006192475]])
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]
 [ 1.05151375e-31  1.10993118e-31 -4.43972471e-31]
 [-1.22676604e-31 -3.50504582e-31 -4.90706415e-31]
 [ 7.88635310e-32 -5.84174304e-33  5.14073387e-31]
 [-1.05151375e-31 -3.03770638e-31  3.50504582e-31]
 [ 9.34678886e-32  3.38821096e-31  2.10302749e-31]
 [-4.38130728e-32 -1.40201833e-31  1.28518347e-31]
 [-8.17844026e-32 -3.03770638e-31  5.84174304e-32]
 [ 6.27987377e-32  2.80403666e-31 -3.73871555e-31]]
stress =  [-2.26951000e-12 -2.26951000e-12 -2.26951000e-12  1.08055770e-28
 -4.06483303e-33 -3.82555705e-49]
energy per atom =  -11.6429343166353
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0