element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:11:48       -8.208480        2.9123
BFGS:    1 13:11:48       -8.406407        1.7093
BFGS:    2 13:11:48       -8.528303        0.7167
BFGS:    3 13:11:48       -8.554397        0.2118
BFGS:    4 13:11:48       -8.555679        0.0975
BFGS:    5 13:11:48       -8.555966        0.0687
BFGS:    6 13:11:48       -8.556672        0.0676
BFGS:    7 13:11:48       -8.557036        0.0368
BFGS:    8 13:11:48       -8.557136        0.0111
BFGS:    9 13:11:48       -8.557144        0.0019
BFGS:   10 13:11:48       -8.557144        0.0001
BFGS:   11 13:11:48       -8.557144        0.0000
BFGS:   12 13:11:48       -8.557144        0.0000
BFGS:   13 13:11:48       -8.557144        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.1359868844238444e-32 eV/Angstrom
Maximum stress component: 7.724817625491574e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5442148200625545, -3.805606476110671e-17, -1.96454143475406e-36], [-1.2721074100312773, 2.2033546668590263, -1.749339889048863e-36], [5.489822977589137e-36, -4.811883569622181e-35, 4.138920533190713]])
forces =  [[-3.13598688e-32  1.81056287e-32 -2.65709033e-34]
 [ 3.13598688e-32 -1.81056287e-32  2.65709033e-34]]
stress =  [-1.50164518e-11 -1.50164518e-11 -7.72481763e-11 -8.10961454e-33
  1.56069605e-33  3.32096365e-27]
energy per atom =  -4.27857201499418
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0