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_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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 00:21:36       -8.148156         2.641251
BFGS:    1 00:21:36       -8.346452         1.747176
BFGS:    2 00:21:36       -8.487918         0.763303
BFGS:    3 00:21:36       -8.520356         0.193230
BFGS:    4 00:21:36       -8.521470         0.088994
BFGS:    5 00:21:36       -8.521679         0.062465
BFGS:    6 00:21:36       -8.522196         0.061774
BFGS:    7 00:21:36       -8.522521         0.038497
BFGS:    8 00:21:36       -8.522632         0.012253
BFGS:    9 00:21:36       -8.522642         0.002496
BFGS:   10 00:21:36       -8.522642         0.000098
BFGS:   11 00:21:36       -8.522642         0.000006
BFGS:   12 00:21:36       -8.522642         0.000000
BFGS:   13 00:21:36       -8.522642         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.3954440516736927e-32 eV/Angstrom
Maximum stress component: 1.3457061041227324e-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([[2.556907398229582, -3.90552019394858e-17, -1.6529502358672143e-37], [-1.278453699114791, 2.2143467619911927, 5.557774416309591e-38], [-2.0301762022516495e-36, -2.2214439321115953e-35, 4.132067222539707]])
forces =  [[ 1.18186189e-32 -2.95684254e-32  3.39544405e-32]
 [-3.93953962e-33 -2.27449426e-33 -3.39544405e-32]]
stress =  [-4.08396701e-11 -4.08396701e-11 -1.34570610e-10 -3.08715829e-34
 -4.86101364e-35 -7.98703560e-27]
energy per atom =  -4.261321142859819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0