element(s):
['Ni', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0337']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0337, 0, 0], [0, 3.0337, 0], [0, 0, 3.0337]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:55       -9.975869         0.709645
BFGS:    1 12:33:55       -9.995174         0.558561
BFGS:    2 12:33:55      -10.023555         0.073855
BFGS:    3 12:33:55      -10.023997         0.006344
BFGS:    4 12:33:55      -10.024000         0.000064
BFGS:    5 12:33:55      -10.024000         0.000000
BFGS:    6 12:33:55      -10.024000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.723103590898606e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9675803920188573, -3.634293473764444e-33, 4.868619205490771e-33], [-3.2881898671224775e-33, 2.9675803920188573, -1.2443370867957154e-21], [-6.370256206508019e-33, -1.2443370867906941e-21, 2.9675803920188573]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.72310359e-14 3.72310359e-14 3.72310359e-14 2.50354029e-31
 2.28190531e-63 1.02511519e-62]
energy per atom =  -5.012000000223519
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0