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:
MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_001
==== 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 13:58:40       -8.075577         3.114775
BFGS:    1 13:58:40       -8.339861         1.870724
BFGS:    2 13:58:40       -8.483567         0.562305
BFGS:    3 13:58:40       -8.490599         0.158919
BFGS:    4 13:58:40       -8.491354         0.091553
BFGS:    5 13:58:40       -8.491823         0.125397
BFGS:    6 13:58:40       -8.492226         0.116635
BFGS:    7 13:58:40       -8.492910         0.027751
BFGS:    8 13:58:40       -8.492936         0.004748
BFGS:    9 13:58:40       -8.492937         0.000181
BFGS:   10 13:58:40       -8.492937         0.000003
BFGS:   11 13:58:40       -8.492937         0.000000
BFGS:   12 13:58:40       -8.492937         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.728243449117874e-32 eV/Angstrom
Maximum stress component: 1.323976203085859e-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([[2.5353924210291576, -2.351023805228157e-17, -5.5151736006045905e-36], [-1.2676962105145788, 2.195714245173782, -1.1285818444849448e-35], [1.818885556034161e-36, 3.3022447075380473e-35, 4.093949686442844]])
forces =  [[ 2.98926605e-68  5.42710781e-67  6.72824345e-32]
 [-2.98926605e-68 -5.42710781e-67 -6.72824345e-32]]
stress =  [ 1.28256172e-10  1.28256172e-10  1.32397620e-10 -9.14136142e-34
  1.14757626e-45  6.99423815e-27]
energy per atom =  -4.2464685184136775
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0