element(s):
['Mn', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6143']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6143, 0, 0], [0, 3.6143, 0], [0, 0, 3.6143]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:45      -16.692387         0.515247
BFGS:    1 12:20:45      -16.703111         0.455796
BFGS:    2 12:20:45      -16.739276         0.015577
BFGS:    3 12:20:45      -16.739314         0.001216
BFGS:    4 12:20:45      -16.739315         0.000003
BFGS:    5 12:20:45      -16.739315         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.67499492148129e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.560987206369397, -1.955017091043566e-34, -1.1074111325229607e-35], [-4.653874701576616e-34, 3.560987206369397, -2.144777268944141e-20], [9.842234353037276e-36, -2.1447772689441392e-20, 3.560987206369397]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.67499492e-11  4.67499492e-11  4.67499492e-11  2.55300394e-30
 -1.62004987e-34 -4.30085984e-53]
energy per atom =  -4.1848286355384925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0