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Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Strukturforschung / Elektronenmikroskopie

alloyTestCell.txt

Number of particles = 3
A = 1.0 Angstrom (basic length-scale)
H0(1,1) = 2 A #
H0(1,2) = 0 A
H0(1,3) = 0 A
H0(2,1) = 0 A #
H0(2,2) = 2 A #
H0(2,3) = 0 A
H0(3,1) = 0 A
H0(3,2) = 0 A
H0(3,3) = 2 A #
.NO_VELOCITY.
entry_count = 5
28
Si
0.00 0.00 0.00 0.5 10
102
Sb
0.00 0.00 0.00 0.5 1
16
O
0.50 0.50 0.00 0.5 0.3