element(s):
['Fe', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3752']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3752, 0, 0], [0, 4.3752, 0], [0, 0, 4.3752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:05      -78.150338        12.269756
BFGS:    1 20:11:05      -79.777463         9.479697
BFGS:    2 20:11:05      -81.013401         7.038055
BFGS:    3 20:11:05      -81.903057         4.854968
BFGS:    4 20:11:05      -82.481858         2.901990
BFGS:    5 20:11:05      -82.784926         1.174529
BFGS:    6 20:11:05      -82.850023         0.117088
BFGS:    7 20:11:05      -82.850714         0.005474
BFGS:    8 20:11:05      -82.850715         0.000027
BFGS:    9 20:11:05      -82.850715         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.5124635809445014e-30 eV/Angstrom
Maximum stress component: 5.714526051899963e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N', 'N', 'N', 'N']
basis =  [[2.56195439e-34 0.00000000e+00 2.56038343e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.532677470564682, -9.423201821981137e-34, 6.499810590628529e-33], [6.614186233791316e-33, 4.532677470564682, 3.253737415045917e-17], [7.546937832015842e-34, 3.2537374150459155e-17, 4.532677470564682]])
forces =  [[-1.48985502e-31  7.44927511e-32  5.34738801e-49]
 [-1.48985502e-31 -1.11739127e-31  3.72463755e-32]
 [-7.44927511e-32 -1.67608690e-31  5.58695633e-32]
 [-1.48985502e-31 -9.31159389e-32 -1.86231878e-32]
 [-6.70434760e-31 -2.23478253e-30  5.51246358e-30]
 [ 6.70434760e-31  1.89956515e-30 -4.84202882e-31]
 [ 1.48985502e-31  8.93913013e-31 -3.87362306e-30]
 [ 1.70563920e-63  1.41536227e-30 -2.16028978e-30]]
stress =  [-5.71452605e-10 -5.71452605e-10 -5.71452605e-10 -1.59750075e-26
  1.01863260e-58 -1.79479745e-58]
energy per atom =  -10.356339387842818
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0