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_001
==== 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 15:59:37     -109.112337         0.433035
BFGS:    1 15:59:37     -109.120194         0.413657
BFGS:    2 15:59:37     -109.170344         0.254160
BFGS:    3 15:59:37     -109.196181         0.089444
BFGS:    4 15:59:37     -109.199743         0.002233
BFGS:    5 15:59:37     -109.199746         0.000019
BFGS:    6 15:59:37     -109.199746         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.5323178262721638e-31 eV/Angstrom
Maximum stress component: 2.431138606959436e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.05428958e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 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([[6.362199626208725, 2.5186114481115404e-32, 9.982088872208079e-33], [2.0015414487571553e-32, 6.362199626208725, 4.137095117136353e-18], [-2.4908696550092533e-33, 4.137095117136373e-18, 6.362199626208725]])
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]
 [ 2.94075619e-32  1.64192220e-31 -2.61400550e-32]
 [-2.77738084e-32 -1.55206576e-31  2.53231783e-31]
 [ 3.43088222e-32  2.46696769e-31  1.17630247e-31]
 [-2.94075619e-32 -1.47037809e-31 -1.01292713e-31]
 [ 1.47037809e-32  1.91149152e-31 -2.36894248e-31]
 [-2.94075619e-32 -8.90395623e-32  1.82980385e-31]
 [ 1.79712878e-32 -8.98564390e-32 -1.92782905e-31]
 [ 3.26750687e-33  1.70318796e-31  1.53572823e-31]]
stress =  [ 2.43113861e-10  2.43113861e-10  2.43113861e-10 -2.36370577e-26
  2.01422679e-34 -9.29763174e-51]
energy per atom =  -6.824984104460227
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0