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_001
==== 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 16:46:31      -21.801761         1.048647
BFGS:    1 16:46:31      -21.846927         0.960741
BFGS:    2 16:46:31      -21.967616         0.641695
BFGS:    3 16:46:31      -22.037310         0.280134
BFGS:    4 16:46:31      -22.052015         0.031937
BFGS:    5 16:46:31      -22.052196         0.001351
BFGS:    6 16:46:31      -22.052197         0.000006
BFGS:    7 16:46:31      -22.052197         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0466631493508562e-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]
 [7.20544880e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.01407677e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.7983908301101867, 2.004509521541852e-32, -1.55575179773551e-33], [4.741405718267457e-32, 3.7983908301101867, 5.145793232285533e-18], [-1.9912448434048612e-32, 5.145793232285553e-18, 3.7983908301101867]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.04666315e-10 -1.04666315e-10 -1.04666315e-10  5.23583877e-27
 -1.42386860e-34  1.37771980e-50]
energy per atom =  -4.410439330937855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0