Dataset

N_O_F_columns_non-bonded_vdW_potential_JCP2023



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Name N_O_F_columns_non-bonded_vdW_potential_JCP2023
Extended ID N_O_F_columns_non-bonded_vdW_potential_JCP2023_GengZybinNaserifarIII__DS_p74559sdjy1q_0
Description This dataset contains structures of materials from the N (15th), O (16th) and F (16th) columns of the periodic table used for generating a 2-body non-bonded vdW potential.
Authors Peng Geng
Sergey Zybin
Saber Naserifar
William A. Goddard, III
Elements Sb (3.35%)
Bi (3.35%)
Po (5.22%)
P (13.92%)
Te (5.22%)
Se (5.22%)
At (14.46%)
O (28.92%)
As (3.48%)
S (16.87%)
Number of Data Objects 262
Number of Configurations 262
Number of Atoms 1,494
Links https://doi.org/10.1063/5.0174188
https://doi.org/10.1063/5.0174188
Configuration Sets by Name N_O_F_columns_non-bonded_vdW_potential_JCP2023_As — Configurations of As from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_At — Configurations of At from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_Bi — Configurations of Bi from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_O — Configurations of O from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_P — Configurations of P from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_Po — Configurations of Po from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_S — Configurations of S from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_Sb — Configurations of Sb from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_Se — Configurations of Se from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
N_O_F_columns_non-bonded_vdW_potential_JCP2023_Te — Configurations of Te from N_O_F_columns_non-bonded_vdW_potential_JCP2023 dataset
Configuration Sets by ID CS_vj8cqtl4jahd_0
CS_d8og6ogqj9t6_0
CS_pvrlweo49no9_0
CS_gm7nn1xgmky5_0
CS_7l6juq2mby6s_0
CS_bu9vejfeu41e_0
CS_58rziw1dsh5s_0
CS_n9d45dppnkah_0
CS_mje4nfr0szmv_0
CS_k25xcde6ax6o_0
Data Objects
ColabFit ID DS_p74559sdjy1q_0
Files colabfitspec.json

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