element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:59:27       -8.075577         3.114775
BFGS:    1 10:59:27       -8.339861         1.870724
BFGS:    2 10:59:27       -8.483567         0.562305
BFGS:    3 10:59:27       -8.490599         0.158919
BFGS:    4 10:59:27       -8.491354         0.091553
BFGS:    5 10:59:28       -8.491823         0.125397
BFGS:    6 10:59:28       -8.492226         0.116635
BFGS:    7 10:59:28       -8.492910         0.027751
BFGS:    8 10:59:28       -8.492936         0.004748
BFGS:    9 10:59:28       -8.492937         0.000181
BFGS:   10 10:59:28       -8.492937         0.000003
BFGS:   11 10:59:28       -8.492937         0.000000
BFGS:   12 10:59:28       -8.492937         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.3438343285240354e-32 eV/Angstrom
Maximum stress component: 1.323960322589588e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5353924210252994, -2.265272405706809e-18, -1.6190072393173888e-36], [-1.2676962105126497, 2.1957142451704406, -2.3127325764616685e-36], [8.503781478273015e-37, -7.926809656561683e-36, 4.09394968642687]])
forces =  [[-2.34383433e-32  4.51071127e-33  8.55276498e-69]
 [ 2.34383433e-32 -4.51071127e-33 -8.55276498e-69]]
stress =  [ 1.28254616e-10  1.28254616e-10  1.32396032e-10  2.28534036e-34
 -5.06155604e-46 -4.51738283e-27]
energy per atom =  -4.2464685183826765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0