reaxff_raw.zip
Plot_raw_data
Fig6b_Charged_Energy
ch0.dat
686 Bytes
ch13.dat
688 Bytes
ch375.dat
678 Bytes
Fig6c_Charged_RDF
rdf_0.13e.dat
9.9 kB
rdf_0.375e.dat
10.0 kB
rdf_neutral.dat
9.9 kB
FigS15c_Wrinkled_RDF
rdf_0.064K_Mn.dat
9.8 kB
rdf_0.16K_Mn.dat
9.9 kB
FigS17_Solvation_Shell
rdf_intGr.dat
9.7 kB
FigS3_forcefield_EOS
EOS_XY.dat
350 Bytes
EOS_Z.dat
599 Bytes
README
1.5 kB
README
227 Bytes
Simulation_input_files
Fig4cd_SmallGCMC
Add_H_only
README
119 Bytes
control
2.6 kB
control_MC
2.1 kB
control_MC2
2.1 kB
ffield
41.1 kB
geo
148.2 kB
iopt
2 Bytes
Add_K_Water
control
2.6 kB
control_MC
2.6 kB
ffield
41.1 kB
geo
67.5 kB
iopt
2 Bytes
Add_K_only
control
2.6 kB
control_MC
2.1 kB
ffield
41.1 kB
geo
87.2 kB
iopt
2 Bytes
Fig6a_LargeGCMC
control
2.6 kB
control_MC
2.6 kB
ffield
41.1 kB
geo
479.4 kB
wrinkled_state_1.xyz
358.0 kB
wrinkled_state_2.xyz
388.9 kB
Fig6b_SmallCellCharge
control
4.0 kB
ffield
41.1 kB
geo
8.3 kB
geo_commented
8.7 kB
Fig6c_LargeCellCharge
README
224 Bytes
control.npt
4.0 kB
control.nvt
4.0 kB
control_minimize
4.0 kB
ffield
41.1 kB
geo_0
4.0 kB
geo_0.13_fin
225.5 kB
geo_0.375
4.0 kB
geo_init
4.0 kB
iopt
2 Bytes
forcefield
41.1 kB