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 16:32:37     -173.547519         9.077253
BFGS:    1 16:32:37     -174.886766         8.774735
BFGS:    2 16:32:37     -176.179878         8.464635
BFGS:    3 16:32:37     -177.422875         8.103427
BFGS:    4 16:32:37     -178.609290         7.709894
BFGS:    5 16:32:37     -179.734128         7.282055
BFGS:    6 16:32:37     -180.792087         6.817816
BFGS:    7 16:32:37     -181.777542         6.314960
BFGS:    8 16:32:37     -182.684527         5.771141
BFGS:    9 16:32:37     -183.506713         5.183879
BFGS:   10 16:32:37     -184.237388         4.550548
BFGS:   11 16:32:37     -184.869435         3.868368
BFGS:   12 16:32:37     -185.395309         3.134401
BFGS:   13 16:32:37     -185.807286         2.360029
BFGS:   14 16:32:37     -186.098534         1.513301
BFGS:   15 16:32:38     -186.258193         0.604902
BFGS:   16 16:32:38     -186.286850         0.036017
BFGS:   17 16:32:38     -186.286949         0.000788
BFGS:   18 16:32:38     -186.286949         0.000001
BFGS:   19 16:32:38     -186.286949         0.000000
Minimization converged after 19 steps.
Maximum force component: 8.038238422527693e-30 eV/Angstrom
Maximum stress component: 2.2822051044751895e-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]
 [0.00000000e+00 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 2.40617635e-49]
 [7.21852904e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.41822745e-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([[5.687262006192472, 1.7530713382710552e-32, 2.0939410404979306e-32], [2.2331664624266234e-32, 5.687262006192472, 1.7848724463192783e-17], [-2.1232306019944056e-32, 1.784872446319282e-17, 5.687262006192472]])
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]
 [-4.67339443e-32 -2.28996327e-30 -7.26712834e-30]
 [ 2.27243804e-30  2.85077060e-30 -4.22942196e-30]
 [ 1.29686695e-30 -6.54275220e-31  2.33669722e-30]
 [ 4.20605499e-31  3.10780730e-30  2.89750455e-30]
 [-2.28996327e-30 -2.19649538e-30  1.72915594e-30]
 [-1.29540652e-30  2.36006419e-30  8.03823842e-30]
 [-1.58895411e-30  2.92087152e-30  5.11700179e-31]
 [-6.23606069e-31 -2.66383483e-30 -3.03478551e-30]]
stress =  [-2.28220510e-12 -2.28220510e-12 -2.28220510e-12  3.93944273e-30
 -1.58782540e-34 -1.00536633e-52]
energy per atom =  -11.642934316635293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0