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_AsadiZaeemNouranian_2015_Fe__SM_042630680993_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 14:54:56       -8.148139        2.6403
BFGS:    1 14:54:56       -8.346330        1.7456
BFGS:    2 14:54:56       -8.487822        0.7679
BFGS:    3 14:54:56       -8.520399        0.1920
BFGS:    4 14:54:56       -8.521480        0.0882
BFGS:    5 14:54:56       -8.521687        0.0620
BFGS:    6 14:54:56       -8.522212        0.0610
BFGS:    7 14:54:56       -8.522529        0.0373
BFGS:    8 14:54:56       -8.522632        0.0119
BFGS:    9 14:54:56       -8.522642        0.0023
BFGS:   10 14:54:56       -8.522642        0.0001
BFGS:   11 14:54:56       -8.522642        0.0000
BFGS:   12 14:54:56       -8.522642        0.0000
BFGS:   13 14:54:56       -8.522642        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.6977220244575362e-32 eV/Angstrom
Maximum stress component: 1.2132547786131205e-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([[2.5569074075027753, -1.9127077810975728e-17, 1.0860723858881773e-36], [-1.2784537037513877, 2.214346770022013, 1.120118306216257e-36], [1.55449250461949e-36, 3.659799803810462e-36, 4.132067219182619]])
forces =  [[ 2.62635976e-33 -2.27449427e-33 -1.69772202e-32]
 [-2.62635976e-33  2.27449427e-33  1.69772202e-32]]
stress =  [-3.52966415e-11 -3.52966415e-11 -1.21325478e-10  6.10885031e-46
  2.34033314e-46  1.99824949e-26]
energy per atom =  -4.261321142873801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0