The volume function was employed to predict crystal structures. Face-centered cubic and hexagonal close-packed structures were identified as minima on the function. The optimization of the function with the actual ethane crystal resulted in largely similar orientations of the molecules. Searching on the function from a random structure resulted in some minima, including a structure similar to the actual structure.

中文翻译：

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通过将广义尺度超球面搜索方法应用于包含准刚体近似原子和分子的晶胞体积来搜索晶体结构候选者

体积函数用于预测晶体结构。面心立方和六角密堆积结构被确定为函数的最小值。用实际的乙烷晶体优化函数导致分子的方向基本相似。从随机结构中搜索函数会得到一些最小值，包括与实际结构相似的结构。