element(s):
['Fe', 'N']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2915']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'N']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2915, 0, 0], [0, 4.2915, 0], [0, 0, 4.2915]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:25:09     -112.732673        16.813654
BFGS:    1 19:25:09     -115.241097        16.617727
BFGS:    2 19:25:09     -117.713414        16.330208
BFGS:    3 19:25:09     -120.134936        15.938171
BFGS:    4 19:25:10     -122.490782        15.441793
BFGS:    5 19:25:10     -124.760418        14.796005
BFGS:    6 19:25:10     -126.922665        14.115417
BFGS:    7 19:25:10     -128.969672        13.147147
BFGS:    8 19:25:10     -130.856953        11.981656
BFGS:    9 19:25:10     -132.553010        10.592893
BFGS:   10 19:25:11     -134.022199         8.951568
BFGS:   11 19:25:11     -135.233352         7.127592
BFGS:   12 19:25:11     -136.138437         4.883173
BFGS:   13 19:25:11     -136.680114         2.274790
BFGS:   14 19:25:11     -136.810670         0.333626
BFGS:   15 19:25:12     -136.813297         0.018597
BFGS:   16 19:25:12     -136.813306         0.000141
BFGS:   17 19:25:12     -136.813306         0.000000
BFGS:   18 19:25:12     -136.813306         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0826727735328913e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.92820778e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 7.85641555e-34 5.00000000e-01]]
cellpar =  Cell([[3.9222567722907655, -9.199697249048533e-33, -4.8646826127526776e-33], [-2.521041765771564e-32, 3.9222567722907655, -2.4483749425467945e-17], [4.895603536720036e-33, -2.4483749425467955e-17, 3.9222567722907655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.08267277e-14  3.08267277e-14  3.08267277e-14 -2.57994352e-33
 -1.71056941e-49 -6.39170404e-63]
energy per atom =  -17.101663216903283
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0