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_SaLee_2008_FeTi__MO_260546967793_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 13:58:40       -8.075626         3.113872
BFGS:    1 13:58:40       -8.339898         1.870067
BFGS:    2 13:58:40       -8.488848         0.765191
BFGS:    3 13:58:40       -8.519318         0.195939
BFGS:    4 13:58:40       -8.520558         0.078941
BFGS:    5 13:58:40       -8.520706         0.055468
BFGS:    6 13:58:40       -8.521060         0.054584
BFGS:    7 13:58:40       -8.521323         0.037820
BFGS:    8 13:58:40       -8.521425         0.012996
BFGS:    9 13:58:40       -8.521437         0.003133
BFGS:   10 13:58:40       -8.521438         0.000164
BFGS:   11 13:58:40       -8.521438         0.000010
BFGS:   12 13:58:40       -8.521438         0.000000
BFGS:   13 13:58:40       -8.521438         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.1590358085343896e-32 eV/Angstrom
Maximum stress component: 2.875303281031871e-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([[2.562914328851897, -2.5930216388077243e-17, 2.6559758765597997e-36], [-1.2814571644259485, 2.2195489165088893, -9.728716546391899e-36], [1.792908880969371e-36, -1.3889657160747613e-36, 4.135204056704961]])
forces =  [[-1.28387205e-49 -1.82387017e-32  6.90313164e-68]
 [-3.15903581e-32  1.82387017e-32 -1.01768747e-67]]
stress =  [-1.14572259e-10 -1.14572259e-10 -2.87530328e-10 -3.07758631e-34
 -4.84594168e-35 -2.00821324e-26]
energy per atom =  -4.26071880883941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0