element(s):
['Fe', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7867']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.7867, 0, 0], [0, 6.7867, 0], [0, 0, 6.7867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:00     -219.205916         0.752208
BFGS:    1 16:17:01     -219.228453         0.646172
BFGS:    2 16:17:01     -219.289141         0.176330
BFGS:    3 16:17:01     -219.294125         0.001219
BFGS:    4 16:17:01     -219.294125         0.000010
BFGS:    5 16:17:01     -219.294125         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.790509460439599e-30 eV/Angstrom
Maximum stress component: 4.37963391386393e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.63588051e-17 6.54352203e-17]
 [6.54352203e-17 1.63588051e-17 5.00000000e-01]
 [6.54352203e-17 5.00000000e-01 6.54352203e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.809221176721743, -2.8772277987042e-40, 7.660115672651988e-35], [-1.5084863287341508e-34, 6.809221176721743, -2.672481171048924e-23], [-1.1127759595191671e-35, -2.672481171048924e-23, 6.809221176721743]])
forces =  [[-6.71441048e-31 -1.75684660e-54  4.47627365e-31]
 [ 2.23813683e-31  8.95254730e-31 -1.11906841e-30]
 [ 2.79767103e-31 -3.35720524e-31 -4.47627365e-31]
 [-8.95254730e-31 -2.23813683e-31  4.47627365e-31]
 [ 6.15487627e-31 -4.47627365e-31 -1.11906841e-31]
 [ 6.71441048e-31  1.11906841e-31  6.71441048e-31]
 [-5.59534206e-31  1.11906841e-31 -2.79767103e-31]
 [-3.35720524e-31 -3.35720524e-31 -2.23813683e-31]
 [-6.71441048e-31 -1.11906841e-30 -4.47627365e-31]
 [ 3.35720524e-31  2.23813683e-31  4.47627365e-31]
 [-7.27394468e-31  1.79050946e-30  4.47627365e-31]
 [ 2.23813683e-31 -6.71441048e-31 -6.71441048e-31]
 [-2.23813683e-31  2.23813683e-31 -2.23813683e-31]
 [ 4.47627365e-31 -4.47627365e-31 -8.39301310e-31]
 [-8.95254730e-31 -1.11906841e-30  1.34288210e-30]
 [-1.00716157e-30  3.35720524e-31  3.91673944e-31]
 [-4.63364265e-32 -2.22939410e-32 -2.44796215e-32]
 [-4.37136099e-33  1.57368996e-32  3.49708879e-33]
 [ 6.99417758e-33 -1.92339883e-32 -3.47523198e-32]
 [ 2.29496452e-33 -9.61699417e-33  6.99417758e-33]
 [ 1.83597161e-32 -1.04912664e-32  8.74272197e-34]
 [ 6.99417758e-33 -1.70483079e-32 -2.21846570e-32]
 [ 7.32202965e-33  1.39883552e-32 -5.49014561e-56]
 [-1.66111718e-32 -1.35512191e-32 -4.54621543e-32]]
stress =  [-4.37963391e-11 -4.37963391e-11 -4.37963391e-11 -8.75768559e-27
 -1.14493868e-61 -2.14276703e-61]
energy per atom =  -9.137255212957959
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0