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 14:51:09     -502.717896        1.6356
BFGS:    1 14:51:09     -502.814150        1.1124
BFGS:    2 14:51:09     -502.901115        0.0550
BFGS:    3 14:51:10     -502.901329        0.0002
BFGS:    4 14:51:10     -502.901329        0.0000
BFGS:    5 14:51:10     -502.901329        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.0855496753830333e-30 eV/Angstrom
Maximum stress component: 6.334564893094299e-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([[7.140831295533984, -4.603491364812887e-33, -7.101802993422947e-34], [4.6034385890670355e-33, 7.140831295533984, -8.659929561311088e-20], [3.602865224066706e-34, -8.659929561310745e-20, 7.140831295533984]])
forces =  [[-2.93391804e-32  5.86783608e-32 -5.86783608e-32]
 [ 1.76035082e-31 -1.17356722e-31  4.40087706e-32]
 [ 5.86783608e-32 -1.17356722e-31 -1.61365492e-31]
 [ 2.80748224e-64  4.40087706e-31 -5.86783608e-32]
 [ 5.86783608e-32  1.90704673e-31 -4.40087706e-32]
 [ 8.80175412e-32  1.76035082e-31 -2.34713443e-31]
 [ 5.86783608e-32 -2.20043853e-31 -8.80175412e-32]
 [ 7.33479510e-32  5.86783608e-32 -7.33479510e-32]
 [-1.76035082e-31 -2.64052624e-31 -3.22730985e-31]
 [ 8.27272711e-65  1.46695902e-31 -2.34713443e-31]
 [ 5.86783608e-32  9.16849388e-32  2.93391804e-31]
 [ 1.17356722e-31 -2.05374263e-31 -6.23457584e-32]
 [ 4.40087706e-32  1.17356722e-31 -5.86783608e-32]
 [-7.62818691e-31 -5.86783608e-32  1.46695902e-31]
 [ 5.28105247e-31  8.80175412e-32 -1.06741873e-51]
 [-3.20216812e-32 -5.86783608e-32 -1.17356722e-31]
 [-3.00726599e-31 -2.34713443e-31 -4.10748526e-31]
 [-3.81409345e-31  3.52070165e-31 -6.78468547e-32]
 [-5.86783608e-31 -1.76035082e-31 -5.13435657e-31]
 [ 4.69426887e-31 -4.69426887e-31  4.40087706e-31]
 [-4.18083321e-31  3.22730985e-31 -1.08554968e-30]
 [-5.86783608e-32  7.88490474e-31  4.69426887e-31]
 [ 2.93391804e-31  8.21497052e-31  2.34713443e-31]
 [ 5.86783608e-32 -5.28105247e-31  4.76761682e-31]]
stress =  [-6.33456489e-14 -6.33456489e-14 -6.33456489e-14  2.81360945e-29
  2.57840799e-33 -1.14527238e-48]
energy per atom =  -20.95422204535634
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0