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 14:55:59       -7.950279        3.0799
BFGS:    1 14:55:59       -8.167318        1.8212
BFGS:    2 14:55:59       -8.297448        0.8465
BFGS:    3 14:55:59       -8.332991        0.2571
BFGS:    4 14:55:59       -8.334878        0.1216
BFGS:    5 14:55:59       -8.335345        0.0876
BFGS:    6 14:55:59       -8.336380        0.0859
BFGS:    7 14:55:59       -8.336964        0.0475
BFGS:    8 14:55:59       -8.337131        0.0149
BFGS:    9 14:55:59       -8.337145        0.0027
BFGS:   10 14:55:59       -8.337146        0.0001
BFGS:   11 14:55:59       -8.337146        0.0000
BFGS:   12 14:55:59       -8.337146        0.0000
BFGS:   13 14:55:59       -8.337146        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.85030270011902e-32 eV/Angstrom
Maximum stress component: 1.1127233998636936e-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, -2.591898175116321e-17, 1.4164821586100368e-36], [-1.2732757267372425, 2.2053782507530904, -4.7141244049714027e-36], [-9.73601403322442e-36, 7.53519293135253e-35, 4.16821935818445]])
forces =  [[-1.60007518e-67  1.23837898e-66  6.85030270e-32]
 [ 1.60007518e-67 -1.23837898e-66 -6.85030270e-32]]
stress =  [-2.12018936e-11 -2.12018936e-11 -1.11272340e-10 -2.68174081e-33
 -1.54830378e-33  1.10826016e-26]
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