element(s):
['Fe', 'Nb']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4154']
model name:
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Nb', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.4154, 0, 0], [0, 6.4154, 0], [0, 0, 6.4154]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:08     -109.112337         0.433035
BFGS:    1 16:39:08     -109.120194         0.413657
BFGS:    2 16:39:08     -109.170344         0.254160
BFGS:    3 16:39:08     -109.196181         0.089444
BFGS:    4 16:39:08     -109.199743         0.002233
BFGS:    5 16:39:08     -109.199746         0.000019
BFGS:    6 16:39:08     -109.199746         0.000000
Minimization converged after 6 steps.
Maximum force component: 5.636449355250947e-32 eV/Angstrom
Maximum stress component: 2.4311485253693817e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.37728935e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.02714479e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.52519341e-67 0.00000000e+00]
 [5.37728935e-50 5.00000000e-01 0.00000000e+00]
 [6.72161169e-51 3.02714479e-35 5.00000000e-01]
 [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]]
cellpar =  Cell([[6.362199626208727, -5.005843553812826e-33, -3.887613731981243e-32], [4.0330618640052964e-33, 6.362199626208727, 2.255686906057e-18], [6.174792688049785e-34, 2.2556869060569538e-18, 6.362199626208727]])
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]
 [ 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]
 [ 3.51256989e-32 -1.22531508e-32  1.47037809e-32]
 [ 4.79915072e-33 -5.10547949e-32 -5.63644936e-32]
 [ 3.55341372e-32  1.69501919e-32  1.79712878e-32]
 [ 3.47172605e-33 -4.41113428e-32  3.10413153e-32]
 [ 2.87183221e-32  4.57450962e-32  2.25662193e-32]
 [-2.36894248e-32 -2.04219180e-32  1.06193973e-32]
 [-2.61400550e-32 -1.55206576e-32  2.45063015e-33]
 [ 2.10345755e-32  5.39138634e-32  2.33830961e-32]]
stress =  [ 2.43114853e-10  2.43114853e-10  2.43114853e-10 -5.38053730e-26
  1.06262358e-34 -1.14376793e-50]
energy per atom =  -6.8249841044602295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0