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 03:27:00      -94.610637       10.2710
BFGS:    1 03:27:00      -96.345701        9.5099
BFGS:    2 03:27:00      -97.751119        8.6537
BFGS:    3 03:27:00      -98.956161        7.6719
BFGS:    4 03:27:00      -99.991889        6.5668
BFGS:    5 03:27:00     -100.854751        5.3050
BFGS:    6 03:27:00     -101.528382        3.8704
BFGS:    7 03:27:00     -101.976504        2.3234
BFGS:    8 03:27:00     -102.166185        0.5985
BFGS:    9 03:27:00     -102.173525        0.1278
BFGS:   10 03:27:00     -102.174149        0.1329
BFGS:   11 03:27:00     -102.177597        0.0407
BFGS:   12 03:27:00     -102.177644        0.0065
BFGS:   13 03:27:00     -102.177646        0.0002
BFGS:   14 03:27:00     -102.177646        0.0000
BFGS:   15 03:27:00     -102.177646        0.0000
BFGS:   16 03:27:00     -102.177646        0.0000
Minimization converged after 16 steps.
Maximum force component: 8.872566497275135e-09 eV/Angstrom
Maximum stress component: 3.3269910476165426e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'N', 'N']
basis =  [[6.89341864e-01 5.27449501e-33 0.00000000e+00]
 [4.99999972e-09 6.89341859e-01 1.08469481e-32]
 [3.10658146e-01 3.10658141e-01 4.31594016e-32]
 [3.10658146e-01 1.50692843e-33 5.00000000e-01]
 [4.99999975e-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([[4.722228424359685, -2.2541370167858222e-17, -7.320800021281526e-38], [-2.3611142121798423, 4.089569777968452, -7.212288674762998e-38], [-1.2793158215458006e-36, 5.737160401189302e-37, 4.295168286223334]])
forces =  [[ 8.87256650e-09 -4.23549952e-26 -1.12943011e-30]
 [-4.43628325e-09  7.68386798e-09 -1.12943011e-30]
 [-4.43628325e-09 -7.68386798e-09  1.20001950e-30]
 [-8.87256650e-09  4.23528444e-26 -1.69414517e-30]
 [ 4.43628325e-09 -7.68386798e-09  1.35511257e-46]
 [ 4.43628325e-09  7.68386798e-09 -2.73061327e-46]
 [ 1.24172713e-30 -2.15073448e-30  3.79299505e-68]
 [-7.76079456e-30  8.06525429e-30 -9.41115399e-68]]
stress =  [-2.41700174e-10 -2.41700174e-10  3.32699105e-10  1.17675587e-46
  2.59287750e-32  9.27986980e-27]
energy per atom =  -12.772205730410944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0