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:
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002
==== 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 16:15:00     -132.894606         1.369888
BFGS:    1 16:15:00     -132.974169         1.340474
BFGS:    2 16:15:00     -133.169525         1.263931
BFGS:    3 16:15:01     -133.353247         1.185357
BFGS:    4 16:15:01     -133.525029         1.104713
BFGS:    5 16:15:01     -133.684556         1.021959
BFGS:    6 16:15:01     -133.831509         0.937055
BFGS:    7 16:15:01     -133.965563         0.849959
BFGS:    8 16:15:01     -134.086385         0.760629
BFGS:    9 16:15:01     -134.193637         0.669023
BFGS:   10 16:15:01     -134.286976         0.575098
BFGS:   11 16:15:01     -134.366049         0.478810
BFGS:   12 16:15:01     -134.430498         0.380113
BFGS:   13 16:15:01     -134.479960         0.278963
BFGS:   14 16:15:01     -134.514062         0.175313
BFGS:   15 16:15:01     -134.532427         0.069116
BFGS:   16 16:15:02     -134.535741         0.001391
BFGS:   17 16:15:02     -134.535743         0.000011
BFGS:   18 16:15:02     -134.535743         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.728672361985661e-32 eV/Angstrom
Maximum stress component: 1.1618245057957593e-10 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 3.85118952e-33 6.23860994e-17]
 [6.23860994e-17 1.27361676e-32 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([[6.895512704062157, 4.487416593292572e-33, -2.8841244704906656e-32], [-4.2386801015226324e-33, 6.895512704062157, 5.42925029590001e-18], [-8.229969795256365e-33, 5.42925029589998e-18, 6.895512704062157]])
forces =  [[-3.54140651e-33 -7.08281301e-33  7.08281301e-33]
 [-2.12484390e-32 -1.41656260e-32 -1.77070325e-32]
 [-2.30191423e-32 -3.54140651e-33 -6.19746139e-33]
 [ 2.47898455e-32  6.37453171e-32 -2.83312521e-32]
 [ 2.30191423e-32 -1.41656260e-32  9.73886789e-33]
 [-2.83312521e-32 -1.06242195e-32 -1.41656260e-32]
 [-3.18726586e-32 -6.72867236e-32  1.41656260e-32]
 [ 1.77070325e-32  5.57672305e-51  7.08281301e-33]
 [ 2.12484390e-32 -2.23068922e-50 -2.83312521e-32]
 [-1.06242195e-32 -7.08281301e-33  1.41656260e-32]
 [ 3.54140651e-32 -3.54140651e-33  7.08281301e-33]
 [-7.08281301e-33  7.08281301e-33  1.06242195e-32]
 [ 1.06242195e-32 -1.41656260e-32  7.08281301e-33]
 [ 3.54140651e-33 -4.07261748e-32 -3.54140651e-33]
 [-6.02039106e-32  4.24968781e-32 -6.02039106e-32]
 [ 8.70762766e-66 -1.41656260e-32 -1.11534461e-50]
 [ 1.06242195e-32  9.73886789e-33  9.96020580e-33]
 [ 8.85351627e-34 -3.01019553e-32 -9.73886789e-33]
 [-7.08281301e-33  3.18726586e-32  5.20144081e-33]
 [-1.72643567e-32 -2.47898455e-32 -3.54140651e-33]
 [-1.23949228e-32  2.12484390e-32  7.08281301e-33]
 [ 5.00138167e-65 -1.94777358e-32 -3.18726586e-32]
 [ 3.54140651e-33 -1.77070325e-32 -1.39418076e-50]
 [-7.96816464e-33  8.85351627e-33 -1.77070325e-33]]
stress =  [ 1.16182451e-10  1.16182451e-10  1.16182451e-10 -2.55460346e-26
 -1.33638236e-51 -2.17593661e-59]
energy per atom =  -5.605655945696992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0