element(s):
['Fe', 'Nb']
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:
['6.1865']
model name:
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[6.1865, 0, 0], [0, 6.1865, 0], [0, 0, 6.1865]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:32:30      -81.803656         1.528105
BFGS:    1 21:32:30      -81.902413         1.487724
BFGS:    2 21:32:30      -82.118477         1.392481
BFGS:    3 21:32:30      -82.319961         1.293314
BFGS:    4 21:32:30      -82.506269         1.190104
BFGS:    5 21:32:30      -82.676785         1.082731
BFGS:    6 21:32:30      -82.830874         0.971071
BFGS:    7 21:32:30      -82.967885         0.854997
BFGS:    8 21:32:30      -83.087146         0.734377
BFGS:    9 21:32:30      -83.187964         0.609079
BFGS:   10 21:32:30      -83.269629         0.478964
BFGS:   11 21:32:31      -83.331406         0.343891
BFGS:   12 21:32:31      -83.372541         0.203716
BFGS:   13 21:32:31      -83.392258         0.058288
BFGS:   14 21:32:31      -83.393969         0.001508
BFGS:   15 21:32:31      -83.393970         0.000011
BFGS:   16 21:32:31      -83.393970         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.8317944407112525e-31 eV/Angstrom
Maximum stress component: 1.440741545415076e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29724774e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.24311935e-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 1.15218745e-49]
 [4.60874979e-49 5.00000000e-01 1.29724774e-34]
 [0.00000000e+00 1.94587161e-34 5.00000000e-01]]
cellpar =  Cell([[5.938510850333828, 1.3911176289048666e-32, -1.0789488098591712e-32], [1.112754969731545e-32, 5.938510850333828, 3.123936203905274e-18], [7.176546074144824e-33, 3.1239362039052607e-18, 5.938510850333828]])
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]
 [-2.37892842e-31 -3.41589722e-31  1.67744953e-31]
 [ 3.52264401e-31  3.41589722e-31  5.82532472e-31]
 [-1.21996329e-31 -2.13493576e-31  4.60536143e-31]
 [ 1.09796696e-31  2.16543485e-31 -4.69685868e-31]
 [-1.61645136e-31 -3.53789355e-31 -6.55730270e-31]
 [ 2.37892842e-31  2.92791190e-31  3.35489906e-32]
 [ 1.52495412e-31  2.31793026e-31 -3.62557841e-31]
 [-1.21996329e-31 -1.28096146e-31  6.83179444e-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 =  [1.44074155e-10 1.44074155e-10 1.44074155e-10 9.80473118e-27
 2.03883530e-34 1.21358725e-50]
energy per atom =  -5.212123141065245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0