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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 10:24:37      -73.996401         0.527392
BFGS:    1 10:24:38      -74.008147         0.511865
BFGS:    2 10:24:39      -74.077077         0.406550
BFGS:    3 10:24:39      -74.129909         0.297191
BFGS:    4 10:24:40      -74.166026         0.183653
BFGS:    5 10:24:40      -74.184789         0.065796
BFGS:    6 10:24:40      -74.187473         0.001932
BFGS:    7 10:24:41      -74.187476         0.000020
BFGS:    8 10:24:42      -74.187476         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.8755173460051411e-31 eV/Angstrom
Maximum stress component: 4.682960368465683e-10 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]
 [1.77762691e-49 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 2.68307558e-67 0.00000000e+00]
 [5.92542302e-50 5.00000000e-01 0.00000000e+00]
 [1.18508460e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.773661753235221, 2.0033752203309928e-32, -7.63884741552196e-33], [4.185908999559687e-33, 5.773661753235221, 6.5358923808118585e-18], [6.945393495595513e-33, 6.53589238081185e-18, 5.773661753235221]])
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]
 [ 4.44786722e-33 -8.82160333e-32  9.63704565e-32]
 [ 1.92740913e-32  5.22624399e-32  5.82074082e-32]
 [ 5.18917843e-33 -7.17218590e-32 -9.04399669e-32]
 [ 2.66872033e-32  6.82006308e-32 -5.63396515e-32]
 [ 2.37219585e-32 -1.63088465e-32 -7.11658756e-32]
 [ 4.22547386e-32  1.43073062e-31 -1.28988149e-31]
 [ 4.29960498e-32  1.37142573e-31  1.87551735e-31]
 [ 4.81852283e-33 -2.96524482e-32  6.92662656e-32]
 [ 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 =  [4.68296037e-10 4.68296037e-10 4.68296037e-10 2.62613258e-27
 4.93010900e-34 3.11258758e-51]
energy per atom =  -4.6367172203338765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0