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_KimJungLee_2010_FeNbC__MO_072689718616_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 19:50:01     -107.007866         1.544088
BFGS:    1 19:50:01     -107.107064         1.454154
BFGS:    2 19:50:02     -107.310144         1.254543
BFGS:    3 19:50:02     -107.483716         1.060710
BFGS:    4 19:50:02     -107.628639         0.872518
BFGS:    5 19:50:02     -107.745747         0.689836
BFGS:    6 19:50:02     -107.835859         0.512536
BFGS:    7 19:50:02     -107.899771         0.340490
BFGS:    8 19:50:02     -107.938262         0.173576
BFGS:    9 19:50:02     -107.952094         0.011671
BFGS:   10 19:50:02     -107.952158         0.000190
BFGS:   11 19:50:02     -107.952158         0.000000
BFGS:   12 19:50:03     -107.952158         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.078128960130728e-31 eV/Angstrom
Maximum stress component: 2.520088962303022e-13 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]
 [4.30934402e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.63891752e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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 4.30934402e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.15467201e-49 1.21297251e-34 5.00000000e-01]]
cellpar =  Cell([[6.351108311749625, -5.4036421984597134e-33, 2.2372042104711677e-32], [1.0114417560340745e-32, 6.351108311749625, 1.1233588426265037e-17], [-1.6777329295562622e-32, 1.1233588426265057e-17, 6.351108311749625]])
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]
 [-3.26181058e-32 -2.28326741e-31  4.56653481e-32]
 [ 1.30472423e-32  8.48070751e-32  7.07812896e-31]
 [-6.52362116e-32 -2.51159415e-31 -2.67468468e-31]
 [-3.26181058e-32  4.72962534e-32 -5.47984178e-31]
 [-1.30472423e-32 -3.15580174e-31 -6.84980222e-31]
 [ 2.18541309e-31  1.37811497e-31 -4.56653481e-32]
 [ 2.47897604e-31  2.50343962e-31  8.48070751e-32]
 [ 1.30472423e-32 -3.84893649e-31  3.08241100e-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 =  [-2.52008896e-13 -2.52008896e-13 -2.52008896e-13  5.51007875e-29
  2.54647945e-35 -2.97048096e-51]
energy per atom =  -6.747009876627967
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0