element(s):
['Fe', 'Nb']
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:
['7.1184']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Nb']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.1184, 0, 0], [0, 7.1184, 0], [0, 0, 7.1184]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:41     -502.717896         1.635643
BFGS:    1 16:14:41     -502.814150         1.112356
BFGS:    2 16:14:41     -502.901115         0.054984
BFGS:    3 16:14:41     -502.901329         0.000189
BFGS:    4 16:14:41     -502.901329         0.000000
BFGS:    5 16:14:41     -502.901329         0.000000
Minimization converged after 5 steps.
Maximum force component: 7.481491006018203e-31 eV/Angstrom
Maximum stress component: 5.3499671066185066e-14 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', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
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 0.00000000e+00 6.23860994e-17]
 [6.23860994e-17 0.00000000e+00 5.00000000e-01]
 [6.23860994e-17 5.00000000e-01 6.23860994e-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([[7.140831295533986, 1.1598498579910922e-33, -3.3607951332117807e-34], [-6.90530303464403e-33, 7.140831295533986, -8.779279008340156e-20], [1.2960825647462282e-34, -8.779279008339818e-20, 7.140831295533986]])
forces =  [[ 1.02687131e-31 -4.40087706e-32 -5.86783608e-32]
 [ 5.86783608e-32  5.86783608e-32  1.76035082e-31]
 [-1.02687131e-31  1.54030697e-31 -1.46695902e-31]
 [-2.34713443e-31  2.05374263e-31 -1.76035082e-31]
 [-1.17356722e-31 -5.86783608e-32 -8.80175412e-32]
 [-1.76035082e-31 -1.61365492e-31 -2.34713443e-31]
 [ 3.59404960e-31 -4.40087706e-31  1.02687131e-31]
 [ 2.34713443e-31  4.40087706e-32 -1.46695902e-31]
 [-2.34713443e-31 -1.76035082e-31 -3.81409345e-31]
 [-2.01706865e-31 -1.46695902e-32 -3.52070165e-31]
 [-4.14415923e-31  2.93391804e-32  2.20043853e-31]
 [-8.80175412e-32  7.33479510e-32 -8.80175412e-32]
 [ 1.17356722e-31  5.86783608e-32 -1.46695902e-31]
 [-2.20043853e-31  2.64052624e-31 -1.17356722e-31]
 [ 1.32026312e-31 -5.13435657e-31  1.17356722e-31]
 [ 1.76035082e-31 -1.10021927e-32 -1.39361107e-31]
 [-1.88870974e-31  1.28358914e-31 -2.93391804e-31]
 [ 4.69426887e-31  3.52070165e-31  2.49383034e-31]
 [ 4.10748526e-31  2.93391804e-31  4.10748526e-31]
 [ 5.28105247e-31  1.17356722e-31 -5.57444428e-31]
 [ 1.76035082e-31 -2.93391804e-32  4.69426887e-31]
 [-4.40087706e-32 -8.80175412e-32  1.17356722e-31]
 [ 7.33479510e-32 -1.76035082e-31 -3.52070165e-31]
 [-3.81409345e-31  4.17166472e-31 -7.48149101e-31]]
stress =  [-5.34996711e-14 -5.34996711e-14 -5.34996711e-14 -6.60519409e-31
  8.86327745e-34  9.82272372e-51]
energy per atom =  -20.954222045356342
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0