element(s):
['Fe', 'Nb']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1865']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[6.1865, 0, 0], [0, 6.1865, 0], [0, 0, 6.1865]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:18:58     -231.415266        13.075016
BFGS:    1 09:18:58     -233.237888        11.244805
BFGS:    2 09:18:58     -234.794021         9.520884
BFGS:    3 09:18:58     -236.099190         7.897716
BFGS:    4 09:18:58     -237.175648         6.430183
BFGS:    5 09:18:58     -238.032675         5.008658
BFGS:    6 09:18:58     -238.681459         3.655723
BFGS:    7 09:18:58     -239.133460         2.384161
BFGS:    8 09:18:58     -239.400563         1.189727
BFGS:    9 09:18:58     -239.493991         0.072675
BFGS:   10 09:18:58     -239.494704         0.057841
BFGS:   11 09:18:58     -239.491738         0.213630
BFGS:   12 09:18:58     -239.494936         0.000368
BFGS:   13 09:18:58     -239.494936         0.000002
BFGS:   14 09:18:58     -239.494936         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.3591379626224896e-30 eV/Angstrom
Maximum stress component: 1.6282535918637795e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]]
cellpar =  Cell([[6.362706221291043, 6.011236942215956e-32, -6.75114586008034e-33], [-2.0407046398926277e-32, 6.362706221291043, -4.850855151177708e-18], [-3.4874736597966766e-32, -4.8508551511776996e-18, 6.362706221291043]])
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]
 [ 1.67309673e-30 -3.55533055e-30 -7.31979819e-31]
 [-1.97373130e-30 -2.56192937e-30 -5.35913796e-30]
 [ 8.82297104e-31 -2.19593946e-30  3.76446764e-30]
 [-3.13705637e-31 -1.12411187e-30 -2.40507655e-30]
 [ 6.27411274e-31  8.36548365e-31  5.12385873e-30]
 [ 1.47703071e-30  3.38540666e-30 -6.27411274e-31]
 [ 1.56852818e-30  2.41814762e-30 -2.54885830e-30]
 [-6.89498848e-31  5.22842728e-31  3.12725307e-30]
 [ 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]]
stress =  [1.62825359e-12 1.62825359e-12 1.62825359e-12 2.73761008e-28
 6.49524348e-33 1.10615984e-48]
energy per atom =  -14.96843349243524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0