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_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 14:56:33       -8.148139         2.640295
BFGS:    1 14:56:33       -8.346330         1.745636
BFGS:    2 14:56:33       -8.487822         0.767866
BFGS:    3 14:56:33       -8.520399         0.191981
BFGS:    4 14:56:33       -8.521480         0.088199
BFGS:    5 14:56:33       -8.521687         0.062027
BFGS:    6 14:56:33       -8.522212         0.060994
BFGS:    7 14:56:33       -8.522529         0.037347
BFGS:    8 14:56:33       -8.522632         0.011869
BFGS:    9 14:56:33       -8.522642         0.002349
BFGS:   10 14:56:34       -8.522642         0.000090
BFGS:   11 14:56:34       -8.522642         0.000006
BFGS:   12 14:56:34       -8.522642         0.000000
BFGS:   13 14:56:34       -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, -1.1387640961175771e-17, -4.869554154382752e-37], [-1.2784537037513908, 2.2143467700220185, -5.200081608329942e-36], [7.586228323165248e-37, -2.525345603436082e-35, 4.132067219182589]])
forces =  [[ 6.23383223e-69 -2.07515252e-67  3.39544405e-32]
 [-6.23383223e-69  2.07515252e-67 -3.39544405e-32]]
stress =  [-3.52975806e-11 -3.52975806e-11 -1.21325993e-10 -8.98082409e-34
  1.61803584e-45  5.39952828e-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