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_EtesamiAsadi_2018_Fe__MO_549900287421_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 15:45:51       -8.174803         2.730412
BFGS:    1 15:45:51       -8.398894         1.733015
BFGS:    2 15:45:51       -8.548131         0.676759
BFGS:    3 15:45:51       -8.576160         0.143484
BFGS:    4 15:45:51       -8.576972         0.049194
BFGS:    5 15:45:51       -8.577022         0.035934
BFGS:    6 15:45:51       -8.577148         0.031916
BFGS:    7 15:45:51       -8.577246         0.023541
BFGS:    8 15:45:51       -8.577288         0.008001
BFGS:    9 15:45:51       -8.577293         0.002036
BFGS:   10 15:45:51       -8.577293         0.000132
BFGS:   11 15:45:51       -8.577293         0.000007
BFGS:   12 15:45:51       -8.577293         0.000000
BFGS:   13 15:45:51       -8.577293         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.6871894343710325e-32 eV/Angstrom
Maximum stress component: 2.7548686261470336e-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([[2.567929405420376, -1.6615241354808787e-18, -2.4433075841140583e-36], [-1.283964702710188, 2.2238921002191145, -4.821204228691633e-37], [-9.94286174427434e-37, -6.533909530679668e-35, 4.106432062423999]])
forces =  [[ 6.59420285e-34 -1.14214944e-33 -1.68718943e-32]
 [ 6.59420285e-34  1.14214944e-33  1.68718943e-32]]
stress =  [-1.29590273e-10 -1.29590273e-10 -2.75486863e-10  4.49905032e-34
  1.94814594e-34  1.99348346e-26]
energy per atom =  -4.288646620742884
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0