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_Lee_2006_FeC__MO_856956178669_002
==== 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 14:58:12       -8.075577         3.114775
BFGS:    1 14:58:12       -8.339861         1.870724
BFGS:    2 14:58:12       -8.483567         0.562305
BFGS:    3 14:58:12       -8.490599         0.158919
BFGS:    4 14:58:12       -8.491354         0.091553
BFGS:    5 14:58:12       -8.491823         0.125397
BFGS:    6 14:58:12       -8.492226         0.116635
BFGS:    7 14:58:12       -8.492910         0.027751
BFGS:    8 14:58:12       -8.492936         0.004748
BFGS:    9 14:58:12       -8.492937         0.000181
BFGS:   10 14:58:12       -8.492937         0.000003
BFGS:   11 14:58:12       -8.492937         0.000000
BFGS:   12 14:58:12       -8.492937         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.364121724545811e-32 eV/Angstrom
Maximum stress component: 1.3239576433632046e-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([[2.5353924210252994, -2.2533494679576513e-18, -4.896335163267858e-36], [-1.2676962105126497, 2.1957142451704406, -4.529690365441484e-36], [4.218649307447218e-35, 8.997158569065335e-36, 4.09394968642687]])
forces =  [[-6.51065091e-34  1.12767782e-33  3.36412172e-32]
 [ 6.51065091e-34 -1.12767782e-33 -3.36412172e-32]]
stress =  [ 1.28254355e-10  1.28254355e-10  1.32395764e-10 -6.85602107e-34
  3.95832561e-34 -1.94701537e-26]
energy per atom =  -4.2464685183826765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0