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 16:40:14     -112.732673        16.813654
BFGS:    1 16:40:15     -115.241097        16.617727
BFGS:    2 16:40:15     -117.713414        16.330208
BFGS:    3 16:40:16     -120.134936        15.938171
BFGS:    4 16:40:16     -122.490782        15.441793
BFGS:    5 16:40:17     -124.760418        14.796005
BFGS:    6 16:40:17     -126.922665        14.115417
BFGS:    7 16:40:18     -128.969672        13.147147
BFGS:    8 16:40:18     -130.856953        11.981656
BFGS:    9 16:40:19     -132.553010        10.592893
BFGS:   10 16:40:19     -134.022199         8.951568
BFGS:   11 16:40:20     -135.233352         7.127592
BFGS:   12 16:40:20     -136.138437         4.883173
BFGS:   13 16:40:21     -136.680114         2.274790
BFGS:   14 16:40:21     -136.810670         0.333626
BFGS:   15 16:40:22     -136.813297         0.018597
BFGS:   16 16:40:22     -136.813306         0.000141
BFGS:   17 16:40:23     -136.813306         0.000000
BFGS:   18 16:40:24     -136.813306         0.000000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.748581181440707e-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 6.13782465e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.13782465e-36]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.48768968e-70 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.22756493e-35]
 [5.45148340e-51 6.13782465e-36 5.00000000e-01]]
cellpar =  Cell([[3.922256772290766, 1.4308985430900995e-33, 2.4942626958686336e-34], [1.323072688864178e-33, 3.922256772290766, 3.228822311104382e-19], [-3.2388223406744984e-34, 3.22882231110439e-19, 3.922256772290766]])
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 =  [ 3.74858118e-14  3.74858118e-14  3.74858118e-14  3.78274055e-31
 -4.27314022e-33 -3.50760623e-50]
energy per atom =  -17.101663216903287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0