element(s):
['Fe', 'Si']
AFLOW prototype label:
A11B5_cP16_221_cg_abd
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8908', '0.7530252']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.        0.5       0.5      ]
 [0.7530252 0.7530252 0.7530252]
 [0.        0.        0.       ]
 [0.5       0.5       0.5      ]
 [0.5       0.        0.       ]]
spacegroup =  221
cell =  [[5.8908, 0, 0], [0, 5.8908, 0], [0, 0, 5.8908]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:31:18      -72.298044         0.737523
BFGS:    1 13:31:19      -72.364194         0.668037
BFGS:    2 13:31:19      -72.589062         0.306483
BFGS:    3 13:31:20      -72.644518         0.100361
BFGS:    4 13:31:20      -72.647575         0.113541
BFGS:    5 13:31:21      -72.648232         0.110178
BFGS:    6 13:31:21      -72.657249         0.003688
BFGS:    7 13:31:22      -72.657258         0.000279
BFGS:    8 13:31:23      -72.657258         0.000002
BFGS:    9 13:31:23      -72.657258         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.7631037489867877e-10 eV/Angstrom
Maximum stress component: 4.759868140981284e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.16976445e-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]
 [7.61879539e-01 7.61879539e-01 7.61879539e-01]
 [2.38120461e-01 2.38120461e-01 7.61879539e-01]
 [2.38120461e-01 7.61879539e-01 2.38120461e-01]
 [7.61879539e-01 2.38120461e-01 2.38120461e-01]
 [7.61879539e-01 7.61879539e-01 2.38120461e-01]
 [2.38120461e-01 2.38120461e-01 2.38120461e-01]
 [7.61879539e-01 2.38120461e-01 7.61879539e-01]
 [2.38120461e-01 7.61879539e-01 7.61879539e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.16976445e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.8492781702021395, -1.577901255345207e-32, 1.511108728681779e-33], [-6.290873911475233e-33, 5.8492781702021395, 2.1296488366106753e-19], [-5.0536932805827306e-33, 2.1296488366108104e-19, 5.8492781702021395]])
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]
 [-2.76310375e-10 -2.76310375e-10 -2.76310375e-10]
 [ 2.76310375e-10  2.76310375e-10 -2.76310375e-10]
 [ 2.76310375e-10 -2.76310375e-10  2.76310375e-10]
 [-2.76310375e-10  2.76310375e-10  2.76310375e-10]
 [-2.76310375e-10 -2.76310375e-10  2.76310375e-10]
 [ 2.76310375e-10  2.76310375e-10  2.76310375e-10]
 [-2.76310375e-10  2.76310375e-10 -2.76310375e-10]
 [ 2.76310375e-10 -2.76310375e-10 -2.76310375e-10]
 [ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.75986814e-10 -4.75986814e-10 -4.75986814e-10  4.75066340e-27
  7.20519775e-34  1.01628949e-50]
energy per atom =  -4.541078647841431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0