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 09:18:58     -176.292076         8.420495
BFGS:    1 09:18:58     -177.534082         8.112481
BFGS:    2 09:18:58     -178.722504         7.727729
BFGS:    3 09:18:58     -179.850728         7.309522
BFGS:    4 09:18:58     -180.913586         6.855829
BFGS:    5 09:18:58     -181.906774         6.393491
BFGS:    6 09:18:58     -182.826517         5.862908
BFGS:    7 09:18:58     -183.664387         5.304323
BFGS:    8 09:18:58     -184.414308         4.686933
BFGS:    9 09:18:58     -185.068091         4.022025
BFGS:   10 09:18:58     -185.618398         3.306754
BFGS:   11 09:18:58     -186.059226         2.552708
BFGS:   12 09:18:59     -186.380995         1.727843
BFGS:   13 09:18:59     -186.574583         0.843060
BFGS:   14 09:18:59     -186.631319         0.059009
BFGS:   15 09:18:59     -186.631587         0.001825
BFGS:   16 09:18:59     -186.631587         0.000004
BFGS:   17 09:18:59     -186.631587         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.529326289281104e-30 eV/Angstrom
Maximum stress component: 2.112919241265263e-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]
 [1.22069895e-48 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]
 [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 4.88279580e-49 0.00000000e+00]
 [9.76559159e-49 5.00000000e-01 6.87192417e-35]
 [2.44139790e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.605213031579932, 1.5605476843660123e-32, -5.4280138968200816e-33], [1.3454312433570638e-32, 5.605213031579932, 5.342652521474514e-18], [7.156873384307203e-33, 5.342652521474499e-18, 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]
 [-2.90176256e-30 -1.56603059e-30 -9.90284049e-31]
 [-1.41345776e-30  1.94602330e-30  3.52932629e-30]
 [-3.25584668e-30  9.21194464e-32 -2.76358339e-31]
 [-2.44116533e-30 -1.79632920e-30 -1.33573197e-30]
 [-3.68477786e-31 -1.65815003e-30 -2.39510561e-30]
 [ 2.13026220e-31  1.13709942e-30 -2.76358339e-30]
 [-1.84238893e-31 -1.78553396e-30  8.56422978e-31]
 [ 1.40482156e-30 -3.03994173e-30 -3.44008558e-31]
 [ 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 =  [-2.11291924e-11 -2.11291924e-11 -2.11291924e-11 -7.65266032e-29
  2.14541147e-59 -1.86418781e-61]
energy per atom =  -11.664474179596585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0