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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_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 13:58:09       -7.950279         3.079924
BFGS:    1 13:58:09       -8.167318         1.821168
BFGS:    2 13:58:09       -8.297448         0.846500
BFGS:    3 13:58:09       -8.332991         0.257101
BFGS:    4 13:58:09       -8.334878         0.121567
BFGS:    5 13:58:09       -8.335345         0.087626
BFGS:    6 13:58:09       -8.336380         0.085933
BFGS:    7 13:58:09       -8.336964         0.047494
BFGS:    8 13:58:09       -8.337131         0.014886
BFGS:    9 13:58:09       -8.337145         0.002744
BFGS:   10 13:58:09       -8.337146         0.000101
BFGS:   11 13:58:09       -8.337146         0.000007
BFGS:   12 13:58:09       -8.337146         0.000000
BFGS:   13 13:58:09       -8.337146         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.85030270011902e-32 eV/Angstrom
Maximum stress component: 1.1127239689856403e-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([[2.546551453474485, -2.5928451675897592e-17, -2.8072392048861384e-37], [-1.2732757267372425, 2.205378250753091, 2.1942471765363995e-36], [1.3226528661719311e-36, 2.247123401733036e-37, 4.16821935818445]])
forces =  [[-5.23144501e-32  1.81222571e-32  6.85030270e-32]
 [ 5.23144501e-32  1.81222571e-32 -6.85030270e-32]]
stress =  [-2.12020141e-11 -2.12020141e-11 -1.11272397e-10 -7.82174404e-34
 -1.35476581e-33 -6.60078804e-27]
energy per atom =  -4.1685729816214705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0