由于CO分子是小分子，构建原子簇时我们只考虑吸附原子以及其周围最近邻原子的影响而忽略其它原子的影响。
Because the CO molecular is small molecular, we just consider the adsorbed atom and it's nearest neighbor atoms.
另外，充氢能够增加块体非晶合金材料的原子平均最近邻距离和有效作用势深度。
In addition, the average first-neighbour distance and the depth of effective pair potential can be increased after hydrogen charging.
成键，是指当两个原子间的距离小于或等于双体分布函数第一谷所确定的最近邻距离时， 则称这两个原子成键。
Two atoms are said to be near-neighbors if they are within a specified cutoff distance of each other.
应用推荐