element(s):
['Fe', 'N']
AFLOW prototype label:
A3B_hP8_182_g_c
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9634', '0.91527985', '0.69108464']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'N']
representative atom coordinates =  [[0.69108464 0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  182
cell =  [[4.9634, 0, 0], [-2.4817, 4.2984304891437, 0], [0, 0, 4.5429]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:17      -94.610637        10.271000
BFGS:    1 15:25:17      -96.345701         9.509857
BFGS:    2 15:25:17      -97.751119         8.653748
BFGS:    3 15:25:17      -98.956161         7.671937
BFGS:    4 15:25:17      -99.991889         6.566844
BFGS:    5 15:25:17     -100.854751         5.304968
BFGS:    6 15:25:17     -101.528382         3.870372
BFGS:    7 15:25:17     -101.976504         2.323415
BFGS:    8 15:25:17     -102.166185         0.598460
BFGS:    9 15:25:17     -102.173525         0.127783
BFGS:   10 15:25:17     -102.174149         0.132907
BFGS:   11 15:25:17     -102.177597         0.040716
BFGS:   12 15:25:18     -102.177644         0.006480
BFGS:   13 15:25:18     -102.177646         0.000208
BFGS:   14 15:25:18     -102.177646         0.000011
BFGS:   15 15:25:18     -102.177646         0.000001
BFGS:   16 15:25:18     -102.177646         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.872541522166284e-09 eV/Angstrom
Maximum stress component: 3.3269275945689865e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'N', 'N']
basis =  [[6.89341864e-01 0.00000000e+00 0.00000000e+00]
 [4.99999968e-09 6.89341859e-01 3.80307982e-32]
 [3.10658146e-01 3.10658141e-01 0.00000000e+00]
 [3.10658146e-01 1.26210728e-32 5.00000000e-01]
 [4.99999979e-09 3.10658141e-01 5.00000000e-01]
 [6.89341864e-01 6.89341859e-01 5.00000000e-01]
 [3.33333338e-01 6.66666667e-01 2.50000000e-01]
 [6.66666672e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[4.722228424359684, -1.1087357156160303e-17, -1.495811810100417e-38], [-2.361114212179842, 4.08956977796845, -6.82156703875447e-40], [-7.475533077825626e-37, 3.2956395830095206e-37, 4.295168286223334]])
forces =  [[ 8.87254152e-09 -2.08340606e-26 -1.12943011e-30]
 [-4.43627076e-09  7.68384635e-09  2.25886023e-30]
 [-4.43627076e-09 -7.68384635e-09  2.93863353e-47]
 [-8.87254152e-09  2.08362113e-26  2.81046387e-47]
 [ 4.43627076e-09 -7.68384635e-09  1.69414517e-30]
 [ 4.43627076e-09  7.68384635e-09 -2.93863353e-47]
 [ 6.20863565e-31 -1.07536724e-30  1.79375585e-70]
 [ 2.48345426e-30 -4.30146896e-30 -1.12943011e-30]]
stress =  [-2.41709416e-10 -2.41709416e-10  3.32692759e-10  6.88990567e-47
 -2.38017431e-47 -9.27372039e-26]
energy per atom =  -12.77220573041094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0