Embedded State. Of these 4 themes from geometric analysis, the most commonly observed is the embedded state (Fig. ). It is characterized by a final configuration in which the nitrogen molecule adsorbs horizontally within the first layer of the slab, lodging itself between two surface lithium atoms that are diagonal from each other. Generally, this state yielded an average nitrogen bond length change of 14.8%. We note that this state bears similarities to previously reported structures of N 2 on Li and Ca. Adsorbed State. The second most frequently observed state is the adsorbed state.