element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6153']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:03:06     -300.324213         2.498485
BFGS:    1 14:03:06     -300.570983         2.108579
BFGS:    2 14:03:07     -300.845003         1.540744
BFGS:    3 14:03:07     -301.032627         0.971482
BFGS:    4 14:03:08     -301.132143         0.350795
BFGS:    5 14:03:08     -301.146552         0.012371
BFGS:    6 14:03:08     -301.146569         0.000150
BFGS:    7 14:03:09     -301.146570         0.000000
BFGS:    8 14:03:10     -301.146570         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.9632607123135298e-30 eV/Angstrom
Maximum stress component: 2.8292755680355736e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.51729641e-33 3.78165859e-33 1.91576305e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.556589185041996, -1.2527772555365394e-33, -5.033239887637629e-34], [-3.7259039653231374e-33, 6.556589185041996, -5.605827304045027e-18], [-4.423688742778193e-34, -5.605827304045026e-18, 6.556589185041996]])
forces =  [[-3.19897463e-32  1.02703922e-31 -2.69387337e-32]
 [ 1.74680852e-31  5.38774675e-32 -1.68367086e-32]
 [-4.04081006e-32 -2.82856704e-31  5.38774675e-32]
 [-4.04081006e-32 -9.09182264e-32 -3.36734172e-33]
 [-8.08162012e-32  2.69387337e-32  3.70407589e-32]
 [ 1.22907973e-31  2.69387337e-32 -8.08162012e-32]
 [ 2.86224046e-32 -2.18877212e-32 -8.08162012e-32]
 [ 8.08162012e-32  1.07754935e-31  1.34693669e-31]
 [-2.96326071e-31  2.15509870e-31 -1.84259083e-49]
 [ 1.29305922e-30 -1.56244656e-30 -1.26612049e-30]
 [-5.92652142e-31  4.31019740e-31  7.67753912e-31]
 [ 1.07754935e-31  1.84259083e-49 -2.15509870e-31]
 [-4.31019740e-31  5.38774675e-31 -2.55917971e-31]
 [-6.46529610e-31 -8.62039480e-31 -2.15509870e-31]
 [ 4.31019740e-31  1.29305922e-30  4.31019740e-31]
 [-4.31019740e-31  5.11835941e-31  8.08162012e-32]
 [-4.31019740e-31 -1.64326276e-30 -1.50856909e-30]
 [-4.31019740e-31 -6.46529610e-31  2.15509870e-31]
 [-1.05061062e-30  2.96326071e-30  6.46529610e-31]
 [-8.62039480e-31 -6.44906792e-49  7.54284545e-31]
 [-4.31019740e-31  1.07754935e-31  2.42448604e-31]
 [-1.07754935e-31  7.54284545e-31 -1.30652859e-30]
 [-1.42775289e-30 -1.40081415e-30  8.08162012e-31]
 [-4.84897207e-31  7.54284545e-31  2.15509870e-31]]
stress =  [-2.82927557e-14 -2.82927557e-14 -2.82927557e-14  1.94280314e-30
  5.46507291e-64  2.02934934e-63]
energy per atom =  -12.54777372924823
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0