element(s):
['Fe', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3752']
model name:
MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3752, 0, 0], [0, 4.3752, 0], [0, 0, 4.3752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:11:00      -33.584959         0.767963
BFGS:    1 19:11:00      -33.609670         0.733568
BFGS:    2 19:11:00      -33.707599         0.570377
BFGS:    3 19:11:00      -33.780237         0.396253
BFGS:    4 19:11:00      -33.825902         0.210670
BFGS:    5 19:11:00      -33.842837         0.013081
BFGS:    6 19:11:00      -33.842900         0.000438
BFGS:    7 19:11:00      -33.842900         0.000001
BFGS:    8 19:11:00      -33.842900         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.528015121123416e-30 eV/Angstrom
Maximum stress component: 5.761550061667043e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N', 'N', 'N', 'N']
basis =  [[3.85173185e-34 0.00000000e+00 3.85187948e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.61841069e-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]]
cellpar =  Cell([[4.25806822180071, -1.1236233071331622e-33, 4.717874338992502e-34], [-7.187417404098192e-33, 4.25806822180071, 4.892755126811721e-18], [1.5878736715220763e-34, 4.892755126811721e-18, 4.25806822180071]])
forces =  [[-1.74949143e-32 -1.74949143e-32 -1.74949143e-32]
 [-1.74949143e-32 -1.74949143e-32 -1.74949143e-32]
 [-1.74949143e-32 -1.74949143e-32 -1.74949143e-32]
 [-1.74949143e-32 -1.74949143e-32 -1.74949143e-32]
 [ 3.49898287e-31 -4.89857601e-31 -2.52801512e-30]
 [ 5.42342344e-31  1.01470503e-30 -8.31008431e-31]
 [ 1.04969486e-31  2.09938972e-31  1.43458298e-30]
 [ 3.49898287e-32  8.83493174e-31  1.22464400e-30]]
stress =  [ 5.76155006e-12  5.76155006e-12  5.76155006e-12 -1.06484996e-28
 -4.53214681e-34  5.98872114e-51]
energy per atom =  -4.23036250565464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0