Number of particles = 1
A = 1.0 Angstrom
H0(1,1) = 0.000000 A
H0(1,2) = 2.630000 A
H0(1,3) = 2.630000 A
H0(2,1) = 2.630000 A
H0(2,2) = 0.000000 A
H0(2,3) = 2.630000 A
H0(3,1) = 2.630000 A
H0(3,2) = 2.630000 A
H0(3,3) = 0.000000 A
entry_count = 6
39.948000
Ar
0.000000e+00 0.000000e+00 0.000000e+00  0.000000e+00 0.000000e+00 0.000000e+00 
