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_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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 14:54:59       -7.448087        2.2482
BFGS:    1 14:54:59       -7.564614        1.7990
BFGS:    2 14:54:59       -7.698112        1.0936
BFGS:    3 14:54:59       -7.771013        0.4407
BFGS:    4 14:54:59       -7.791347        0.1028
BFGS:    5 14:54:59       -7.793120        0.0356
BFGS:    6 14:54:59       -7.793238        0.0209
BFGS:    7 14:54:59       -7.793257        0.0243
BFGS:    8 14:55:00       -7.793324        0.0306
BFGS:    9 14:55:00       -7.793429        0.0319
BFGS:   10 14:55:00       -7.793569        0.0217
BFGS:   11 14:55:00       -7.793616        0.0063
BFGS:   12 14:55:00       -7.793624        0.0017
BFGS:   13 14:55:00       -7.793625        0.0000
BFGS:   14 14:55:00       -7.793625        0.0000
BFGS:   15 14:55:00       -7.793625        0.0000
Minimization converged after 15 steps.
Maximum force component: 5.854226346689308e-33 eV/Angstrom
Maximum stress component: 3.6153277027455833e-10 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([[2.605446948777147, 6.508323277273928e-18, 1.1192031920363533e-36], [-1.3027234743885736, 2.2563832458536637, 6.763266729595478e-36], [1.3690218556344644e-36, -3.1157158900202266e-35, 4.167550104675394]])
forces =  [[ 5.85422635e-33 -8.69127212e-34 -3.05908179e-70]
 [-5.85422635e-33  8.69127212e-34  3.05908179e-70]]
stress =  [-1.85154087e-10 -1.85154087e-10 -3.61532770e-10 -1.74769442e-33
  3.71484693e-45 -4.63938145e-27]
energy per atom =  -3.896812315510662
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0