element(s):
['Fe', 'Si']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8596']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8596, 0, 0], [0, 5.8596, 0], [0, 0, 5.8596]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:06:57     -176.292076        8.4205
BFGS:    1 16:06:58     -177.534082        8.1125
BFGS:    2 16:06:58     -178.722504        7.7277
BFGS:    3 16:06:58     -179.850728        7.3095
BFGS:    4 16:06:58     -180.913586        6.8558
BFGS:    5 16:06:59     -181.906774        6.3935
BFGS:    6 16:06:59     -182.826517        5.8629
BFGS:    7 16:06:59     -183.664387        5.3043
BFGS:    8 16:06:59     -184.414308        4.6869
BFGS:    9 16:07:00     -185.068091        4.0220
BFGS:   10 16:07:00     -185.618398        3.3068
BFGS:   11 16:07:00     -186.059226        2.5527
BFGS:   12 16:07:00     -186.380995        1.7278
BFGS:   13 16:07:01     -186.574583        0.8431
BFGS:   14 16:07:01     -186.631319        0.0590
BFGS:   15 16:07:01     -186.631587        0.0018
BFGS:   16 16:07:01     -186.631587        0.0000
BFGS:   17 16:07:01     -186.631587        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.356241799945088e-30 eV/Angstrom
Maximum stress component: 2.1129294961888418e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.74876967e-34 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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 9.76559159e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 8.24630900e-34 5.00000000e-01]]
cellpar =  Cell([[5.605213031579932, -9.238083774093447e-32, -7.097606619102114e-32], [3.0890941501482045e-33, 5.605213031579932, 2.6095474689581683e-17], [-3.552596844691517e-32, 2.6095474689581652e-17, 5.605213031579932]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.22418062e-30  1.01331391e-30 -4.08348233e-30]
 [ 8.17560087e-31 -1.12846322e-30 -4.34688638e-30]
 [ 3.83591132e-30  1.01331391e-30 -9.21194464e-32]
 [-4.60597232e-31 -3.63368035e-30  2.85570284e-30]
 [ 4.23749453e-30 -2.21086671e-30  6.35624180e-30]
 [-4.61748725e-30 -4.52536780e-30 -4.97445010e-30]
 [-4.88233066e-30 -2.42965040e-30  9.84526583e-31]
 [ 3.67902039e-30 -6.44836125e-31 -3.28175528e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.11292950e-11 -2.11292950e-11 -2.11292950e-11 -1.12306984e-26
 -2.61544116e-34 -6.66181471e-50]
energy per atom =  -11.664474179596588
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0