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 15:21:10       -9.975869        0.7096
BFGS:    1 15:21:10       -9.995174        0.5586
BFGS:    2 15:21:10      -10.023555        0.0739
BFGS:    3 15:21:10      -10.023997        0.0063
BFGS:    4 15:21:10      -10.024000        0.0001
BFGS:    5 15:21:10      -10.024000        0.0000
BFGS:    6 15:21:10      -10.024000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.713474386418881e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.967580392018857, -1.0989587311581132e-32, -4.823580813591333e-34], [5.4515427239617684e-33, 2.967580392018857, -1.345515195538743e-21], [5.58865707081147e-34, -1.345515195538654e-21, 2.967580392018857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.71347439e-14  3.71347439e-14  3.71347439e-14  2.48150301e-31
 -2.91591081e-34 -1.37640321e-51]
energy per atom =  -5.012000000223521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0