confdata: coords: coords total_int_energy: total_int_energy data_cls: ClusterData kwargs: max_n_confs: 20 meta_fp: /mnt/bn/byteff-dev-large/users/zhengtianze/byteff_v2/meta.txt moldata: {} save_dir: /root/byteff2-community/byteff2/valid_data shards: 1 timestamp: '25_11_14_11_41_09'