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_AsadiZaeemNouranian_2015_Fe__MO_492310898779_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 10:59:30       -8.148139         2.640295
BFGS:    1 10:59:30       -8.346330         1.745636
BFGS:    2 10:59:30       -8.487822         0.767866
BFGS:    3 10:59:30       -8.520399         0.191981
BFGS:    4 10:59:30       -8.521480         0.088199
BFGS:    5 10:59:30       -8.521687         0.062027
BFGS:    6 10:59:30       -8.522212         0.060994
BFGS:    7 10:59:30       -8.522529         0.037347
BFGS:    8 10:59:31       -8.522632         0.011869
BFGS:    9 10:59:31       -8.522642         0.002349
BFGS:   10 10:59:31       -8.522642         0.000090
BFGS:   11 10:59:31       -8.522642         0.000006
BFGS:   12 10:59:31       -8.522642         0.000000
BFGS:   13 10:59:31       -8.522642         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.395444048915048e-32 eV/Angstrom
Maximum stress component: 1.2132599329475306e-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([[2.5569074075027816, -2.1400937417534605e-19, -8.239634383173374e-36], [-1.2784537037513908, 2.2143467700220185, -3.2470935776250006e-35], [-3.2597962503943166e-36, 3.1240396405345055e-36, 4.132067219182589]])
forces =  [[-2.67867273e-68  2.56711744e-68  3.39544405e-32]
 [ 2.67867273e-68 -2.56711744e-68 -3.39544405e-32]]
stress =  [-3.52975806e-11 -3.52975806e-11 -1.21325993e-10  7.73933211e-46
  5.34531151e-46  5.44836371e-27]
energy per atom =  -4.2613211428738005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0