ML_AB datasets - Hydorated covalent organic framework

<p>RPBE+D3 datasets for hydrated COFs in the VASP ML_AB format. It includes reference structures, energy, forces, and the stress tensor.</p> <table> <tbody> <tr> <td>File name</td> <td>COF</td> <td>side chain length</td> <td>water uptake</td> </tr> <tr> <td>ML_AB_S3_0_1</td> <td>COF-S3</td> <td>0</td> <td>1</td> </tr> <tr> <td>ML_AB_S3_0_2</td> <td>COF-S3</td> <td>0</td> <td>2</td> </tr> <tr> <td>ML_AB_S3_0_4</td> <td>COF-S3</td> <td>0</td> <td>4</td> </tr> <tr> <td>ML_AB_S3_1_1</td> <td>COF-S3</td> <td>1</td> <td>1</td> </tr> <tr> <td>ML_AB_S3_1_2</td> <td>COF-S3</td> <td>1</td> <td>2</td> </tr> <tr> <td>ML_AB_S3_2_1</td> <td>COF-S3</td> <td>2</td> <td>1</td> </tr> <tr> <td>ML_AB_S3_2_2</td> <td>COF-S3</td> <td>2</td> <td>2</td> </tr> <tr> <td>ML_AB_S3_3_2</td> <td>COF-S3</td> <td>3</td> <td>2</td> </tr> <tr> <td>ML_AB_S6_0_05</td> <td>COF-S6</td> <td>0</td> <td>0.5</td> </tr> <tr> <td>ML_AB_S6_0_1</td> <td>COF-S6</td> <td>0</td> <td>1</td> </tr> <tr> <td>ML_AB_S6_0_2</td> <td>COF-S6</td> <td>0</td> <td>2</td> </tr> <tr> <td>ML_AB_S6_1_05</td> <td>COF-S6</td> <td>1</td> <td>0.5</td> </tr> <tr> <td>ML_AB_S6_1_1</td> <td>COF-S6</td> <td>1</td> <td>1</td> </tr> <tr> <td>ML_AB_S6_1_2</td> <td>COF-S6</td> <td>1</td> <td>2</td> </tr> <tr> <td>ML_AB_S6_2_1</td> <td>COF-S6</td> <td>2</td> <td>1</td> </tr> <tr> <td>ML_AB_S6_3_1</td> <td>COF-S6</td> <td>3</td> <td>1</td> </tr> </tbody> </table> <p>&nbsp;</p>