element(s):
['Fe', 'Ni']
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:
['5.8545']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:18:57     -170.900246         4.915002
BFGS:    1 09:18:57     -171.597282         4.372172
BFGS:    2 09:18:57     -172.209849         3.788364
BFGS:    3 09:18:57     -172.731623         3.161176
BFGS:    4 09:18:57     -173.155907         2.488074
BFGS:    5 09:18:57     -173.475615         1.766375
BFGS:    6 09:18:57     -173.683248         0.993248
BFGS:    7 09:18:57     -173.772310         0.180066
BFGS:    8 09:18:57     -173.775129         0.010783
BFGS:    9 09:18:57     -173.775139         0.000076
BFGS:   10 09:18:57     -173.775139         0.000000
BFGS:   11 09:18:57     -173.775139         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.01912980240209e-30 eV/Angstrom
Maximum stress component: 7.892583586959954e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.34619015e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.34619015e-34]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.49457130e-50 1.34619015e-34 5.00000000e-01]]
cellpar =  Cell([[5.722608917151646, -2.9485626992099847e-32, 2.0815264233455785e-32], [-5.514941640816033e-32, 5.722608917151646, 7.075334877422552e-18], [9.31171876411337e-34, 7.075334877422567e-18, 5.722608917151646]])
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]
 [-1.97502482e-30  5.64292806e-31  2.30419563e-30]
 [ 2.50992738e-30 -1.83395162e-30  2.35122003e-31]
 [-4.19692775e-30  2.11609802e-30  4.23219605e-30]
 [ 4.23219605e-30 -2.46878103e-31 -3.05235824e-49]
 [-4.84351325e-30 -4.70244005e-32  1.22263441e-30]
 [ 3.16826899e-30 -1.55180522e-30 -3.10361043e-30]
 [ 1.92800042e-30  3.76195204e-31 -2.78178719e-30]
 [-8.01912980e-30 -5.17268406e-31 -7.83984928e-31]
 [ 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 =  [-7.89258359e-15 -7.89258359e-15 -7.89258359e-15  6.69762458e-31
 -3.12966584e-63 -5.52111043e-64]
energy per atom =  -10.860946194752003
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0