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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 16:34:16      -72.298044         0.737523
BFGS:    1 16:34:16      -72.364194         0.668037
BFGS:    2 16:34:17      -72.589062         0.306483
BFGS:    3 16:34:17      -72.644518         0.100361
BFGS:    4 16:34:18      -72.647575         0.113541
BFGS:    5 16:34:19      -72.648232         0.110178
BFGS:    6 16:34:20      -72.657249         0.003688
BFGS:    7 16:34:21      -72.657258         0.000279
BFGS:    8 16:34:22      -72.657258         0.000002
BFGS:    9 16:34:23      -72.657258         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.762914684366348e-10 eV/Angstrom
Maximum stress component: 4.759932779134489e-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 =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.29259421e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.58518842e-35]
 [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 2.33952890e-49 5.84882225e-49]
 [0.00000000e+00 5.00000000e-01 9.87778263e-35]
 [0.00000000e+00 9.87778263e-35 5.00000000e-01]]
cellpar =  Cell([[5.849278170202127, -1.4746482232804244e-32, 1.1135461371340322e-32], [-5.5827115556366944e-33, 5.849278170202127, 2.5089412657840468e-18], [-1.770304910566722e-32, 2.5089412657840668e-18, 5.849278170202127]])
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]
 [-2.76291468e-10 -2.76291468e-10 -2.76291468e-10]
 [ 2.76291468e-10  2.76291468e-10 -2.76291468e-10]
 [ 2.76291468e-10 -2.76291468e-10  2.76291468e-10]
 [-2.76291468e-10  2.76291468e-10  2.76291468e-10]
 [-2.76291468e-10 -2.76291468e-10  2.76291468e-10]
 [ 2.76291468e-10  2.76291468e-10  2.76291468e-10]
 [-2.76291468e-10  2.76291468e-10 -2.76291468e-10]
 [ 2.76291468e-10 -2.76291468e-10 -2.76291468e-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 =  [-4.75993278e-10 -4.75993278e-10 -4.75993278e-10 -1.93175009e-26
  0.00000000e+00 -5.44130022e-59]
energy per atom =  -4.541078647841427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0