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 14:13:22      -78.150338       12.2698
BFGS:    1 14:13:22      -79.777463        9.4797
BFGS:    2 14:13:22      -81.013401        7.0381
BFGS:    3 14:13:22      -81.903057        4.8550
BFGS:    4 14:13:22      -82.481858        2.9020
BFGS:    5 14:13:22      -82.784926        1.1745
BFGS:    6 14:13:22      -82.850023        0.1171
BFGS:    7 14:13:22      -82.850714        0.0055
BFGS:    8 14:13:22      -82.850715        0.0000
BFGS:    9 14:13:22      -82.850715        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.132289816626438e-29 eV/Angstrom
Maximum stress component: 5.714520508647239e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'N', 'N', 'N', 'N']
basis =  [[1.28391411e-34 1.28395329e-34 1.28395329e-34]
 [1.29162171e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.49797920e-35 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, -1.7816606307107262e-33, -1.0604529025987091e-34], [9.356814579560115e-34, 4.532677470564682, -4.503985982597764e-18], [1.336003940831824e-34, -4.503985982597762e-18, 4.532677470564682]])
forces =  [[ 1.48985502e-31  1.48985502e-31 -1.48042436e-49]
 [ 1.48985502e-31  1.48985502e-31 -1.48985502e-31]
 [ 1.48985502e-31  7.44927511e-32  1.48985502e-31]
 [ 1.48985502e-31  1.48985502e-31 -7.44927511e-32]
 [ 5.95942009e-31  7.89623162e-30  1.13228982e-29]
 [ 3.22646728e-30 -7.22579686e-30 -5.62420271e-30]
 [-1.89956515e-30  6.25739109e-30  2.38376804e-30]
 [ 1.93681153e-30 -6.62985485e-30 -5.95942009e-31]]
stress =  [-5.71452051e-10 -5.71452051e-10 -5.71452051e-10 -5.48510506e-27
 -6.39940430e-33 -1.28651211e-50]
energy per atom =  -10.356339387842823
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0