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 21:02:19      -33.584959         0.767963
BFGS:    1 21:02:19      -33.609670         0.733568
BFGS:    2 21:02:19      -33.707599         0.570377
BFGS:    3 21:02:19      -33.780237         0.396253
BFGS:    4 21:02:19      -33.825902         0.210670
BFGS:    5 21:02:19      -33.842837         0.013081
BFGS:    6 21:02:19      -33.842900         0.000438
BFGS:    7 21:02:19      -33.842900         0.000001
BFGS:    8 21:02:19      -33.842900         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.388055806459144e-30 eV/Angstrom
Maximum stress component: 5.7615500616670395e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N', 'N', 'N', 'N']
basis =  [[1.28382810e-34 0.00000000e+00 1.28397289e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.71380801e-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, 2.2535564265679817e-33, 3.0352025967132184e-34], [-3.327778984164727e-33, 4.25806822180071, 4.892764066589736e-18], [9.636289876380811e-34, 4.892764066589731e-18, 4.25806822180071]])
forces =  [[-3.49898287e-32 -4.37372858e-32 -1.74949143e-32]
 [-1.74949143e-32  1.74949143e-32  1.74949143e-32]
 [-8.74745717e-33 -2.62423715e-32 -1.74949143e-32]
 [-2.62423715e-32  3.49898287e-32 -8.74745717e-33]
 [ 5.94827087e-31 -2.44928801e-31 -2.38805581e-30]
 [ 2.27433886e-31  2.09938972e-31 -4.67988958e-31]
 [ 3.14908458e-31  3.49898287e-32  1.25963383e-30]
 [ 2.79918629e-31  5.07352516e-31  1.08468469e-30]]
stress =  [ 5.76155006e-12  5.76155006e-12  5.76155006e-12  1.95930896e-27
 -4.53214681e-34 -1.12648808e-49]
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