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- The algorithm for evaluating whether a sphere is within its WS cell is very simple: If Δx, Δy, and Δz, measure the displacement of the center of a sphere from the center of its fcc cell in the x,y, and z directions, respectively, then the center of the sphere is within the cell if all of the following conditions hold: |Δx| + |Δy| < D;|Δx| + |Δz| < D; and |Δy| + |Δz| < D; where D is √2 times one-half the nearest neighbor separation, and |…| indicates the absolute value.
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