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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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 15:44:20       -8.075626         3.113872
BFGS:    1 15:44:20       -8.339898         1.870067
BFGS:    2 15:44:21       -8.488848         0.765191
BFGS:    3 15:44:21       -8.519318         0.195939
BFGS:    4 15:44:21       -8.520558         0.078941
BFGS:    5 15:44:21       -8.520706         0.055468
BFGS:    6 15:44:21       -8.521060         0.054583
BFGS:    7 15:44:21       -8.521323         0.037820
BFGS:    8 15:44:21       -8.521425         0.012996
BFGS:    9 15:44:21       -8.521437         0.003133
BFGS:   10 15:44:21       -8.521438         0.000164
BFGS:   11 15:44:21       -8.521438         0.000010
BFGS:   12 15:44:21       -8.521438         0.000000
BFGS:   13 15:44:21       -8.521438         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.897589443673835e-33 eV/Angstrom
Maximum stress component: 2.8756507387474465e-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([[2.562914303649092, -3.6632008213492024e-17, -1.5998605474953578e-37], [-1.281457151824546, 2.2195488946826183, -6.988391258003809e-37], [-2.5436879043438763e-37, -1.568780811637516e-35, 4.135204075502766]])
forces =  [[ 7.89758944e-33 -4.55967539e-33  1.10697948e-69]
 [-7.89758944e-33  4.55967539e-33 -1.10697948e-69]]
stress =  [-1.14600325e-10 -1.14600325e-10 -2.87565074e-10  4.13406713e-45
  1.59264320e-45  3.93422301e-26]
energy per atom =  -4.260718808628202
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0