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 01:55:32     -170.900246        4.9150
BFGS:    1 01:55:32     -171.597282        4.3722
BFGS:    2 01:55:32     -172.209849        3.7884
BFGS:    3 01:55:32     -172.731623        3.1612
BFGS:    4 01:55:32     -173.155907        2.4881
BFGS:    5 01:55:33     -173.475615        1.7664
BFGS:    6 01:55:33     -173.683248        0.9932
BFGS:    7 01:55:33     -173.772310        0.1801
BFGS:    8 01:55:33     -173.775129        0.0108
BFGS:    9 01:55:33     -173.775139        0.0001
BFGS:   10 01:55:33     -173.775139        0.0000
BFGS:   11 01:55:33     -173.775139        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.1285856126525205e-30 eV/Angstrom
Maximum stress component: 7.668254750020754e-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]
 [4.78262817e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.34619015e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.73095077e-35]
 [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]
 [4.78262817e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.722608917151646, 2.413425626174087e-32, 1.0549837295803984e-32], [2.955129764898132e-32, 5.722608917151646, -4.093444566638695e-18], [-4.1682359820404495e-33, -4.093444566638686e-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]
 [ 1.80015283e-31 -8.19253228e-31  2.58634203e-31]
 [-2.75533597e-32  9.16975810e-31  4.70244005e-31]
 [ 1.79280527e-31 -6.46585507e-31 -3.25497022e-31]
 [ 1.67524427e-31  9.46366061e-31 -3.79868986e-31]
 [-6.35564163e-32 -1.02939352e-30 -4.59957418e-31]
 [-3.58561054e-31  7.78841634e-31 -2.62307984e-31]
 [-4.75754677e-31  6.52463557e-31  7.04631252e-31]
 [-7.64146509e-32 -1.12858561e-30  8.67012385e-32]
 [ 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 =  [-7.66825475e-15 -7.66825475e-15 -7.66825475e-15 -3.35505274e-31
  7.97640650e-63  1.66051449e-63]
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