element(s):
['Fe', 'N']
AFLOW prototype label:
A4B_cP5_221_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:
['3.9158']
model name:
MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'N']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.9158, 0, 0], [0, 3.9158, 0], [0, 0, 3.9158]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:48      -21.801761         1.048647
BFGS:    1 15:48:48      -21.846927         0.960741
BFGS:    2 15:48:48      -21.967616         0.641695
BFGS:    3 15:48:48      -22.037310         0.280134
BFGS:    4 15:48:48      -22.052015         0.031937
BFGS:    5 15:48:48      -22.052196         0.001351
BFGS:    6 15:48:48      -22.052197         0.000006
BFGS:    7 15:48:48      -22.052197         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0466741228060326e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N']
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 4.05630706e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.798390830110186, 3.724497325596873e-33, 3.957725742446484e-33], [-1.9528567478123126e-33, 3.798390830110186, 1.8318917492110324e-17], [-3.2426401062986623e-32, 1.8318917492110348e-17, 3.798390830110186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.04667412e-10 -1.04667412e-10 -1.04667412e-10  2.37772941e-26
  0.00000000e+00  3.29053345e-59]
energy per atom =  -4.410439330937854
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0