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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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       -9.897388        0.2168
BFGS:    1 15:21:10       -9.899158        0.1642
BFGS:    2 15:21:10       -9.901479        0.0054
BFGS:    3 15:21:10       -9.901481        0.0001
BFGS:    4 15:21:10       -9.901481        0.0000
BFGS:    5 15:21:10       -9.901481        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.250544866056689e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0148039653952607, -2.7325770215446966e-33, -1.343549619401444e-32], [2.0450672815262955e-33, 3.0148039653952607, -5.564936991589067e-21], [-9.73969990078773e-34, -5.564936991597236e-21, 3.0148039653952607]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.25054487e-13 -1.25054487e-13 -1.25054487e-13  2.37161504e-32
 -1.13011088e-34 -1.31730484e-50]
energy per atom =  -4.950740633821381
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0