OC22-IS2RE-Validation-out-of-domain

Out-of-domain validation configurations for the initial structure to relaxed total energy (IS2RE) task of OC22. Open Catalyst 2022 (OC22) is a database of training trajectories for predicting catalytic reactions on oxide surfaces meant to complement OC20, which did not contain oxide surfaces.OC22任务中初始结构至松弛总能量（IS2RE）任务之外域验证配置。Open Catalyst 2022（OC22）是一个旨在补充OC20数据库的催化反应训练轨迹数据库，OC20数据库中未包含氧化物表面。