LAMMPS Simulation Data of Alchemical Processes

Description

This data includes a four alchemical processes with data files generated with the python package: generate_alchemical_lammps (DOI from MIDAS) and the resulting output to be used for the calculation of free energies using Multi-state Bennett Acceptance Ratio (MBAR), BAR, or Thermodynamic Integration (TI). These input files are only applicable for LAMMPS versions after April 2024. The four cases can be separated into two systems, benzene solvated in water, and a Lennard-Jones (LJ) dimer in solvent. These four cases are:1) benzene 1: In the NPT ensemble, scale the charges of benzene atoms from full values to zero over six steps.2) benzene 2: In the NPT ensemble, scale the van der Waals potential between benzene and water from full values to zero over sixteen steps.3) benzene 3: In the NVT ensemble with benzene in vacuum, scale the charges of benzene's atoms from zero to full values over six steps.4) lj_dimer: In the NPT ensemble, change the cross interaction energy parameter between solvent and dimer from a value of 1 to 2.

Resources

Name Format Description Link
47 mbar_lj-cut-soft-lambda_0.65_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.75_charge--0.0_0.txt
47 mbar_charge_0.2_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.6.txt
47 mbar_lj-cut-soft-lambda_0.95_0.0499999999999999_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.0499999999999999_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.2_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.5_0.7_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.7_charge--0.0_0.txt
47 npt_lj-cut-soft-epsilon_1.2.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/npt_lj-cut-soft-epsilon_1.2.data
47 mbar_charge_0.8_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.8_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0_0.8.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.7_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.6_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_0.2.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_1.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_1.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_1.data.sha256
47 mbar_lj-cut-soft-lambda_0.85_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_1_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.2_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.6_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.6_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.65_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.8_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.95_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_0.05.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.05.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.05.data.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.05_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.05_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.05_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.1_0.85_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.85_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.85_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.7_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.7_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.6_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.6_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.6_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.05_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.05_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.05_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.2_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.2_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.4_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.3_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.65_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.8_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.3_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.4_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.75_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.8_0.5_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.5_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.5_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.7_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.8_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.3_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.2_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.2_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.2_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.4_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.5_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.8_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.6_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.9_charge--0.0_0.txt.sha256
47 npt_lj-cut-soft-lambda_0.5.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.5.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.5.data.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_1_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_0.7.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.7.data
47 mbar_lj-cut-soft-lambda_0.1_0_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.8_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.65_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.65_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.5_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.2_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.2_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.2_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.65_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.65_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.4_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.1_0.5_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.5_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.5_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.4_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.8_charge--0.0_0.txt.sha256
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47 mbar_lj-cut-soft-lambda_0.9_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.2_charge--0.0_0.txt
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.2.txt.sha256
47 mbar_charge_0.4_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.txt
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47 mbar_charge_0.6_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.6_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.6_0.txt.sha256
47 mbar_charge_0.6_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.6_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.6_1.txt.sha256
47 mbar_charge_0.2_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_1.txt.sha256
47 mbar_charge_0.8_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.4.txt.sha256
47 mbar_charge_0.2_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_0.txt.sha256
47 mbar_charge_0.4_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.8.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.6.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.4.txt.sha256
47 ti_charge_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.2.txt.sha256
47 loop.in https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/loop.in
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47 mbar_lj-cut-soft-lambda_1_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.4_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.2_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.5_charge--0.0_0.txt.sha256
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47 mbar_lj-cut-soft-lambda_0.8_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.75_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.75_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.75_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.8_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.75.data.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.85_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.85_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.85_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.2_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.1_0.7_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.7_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.7_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.7_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.05_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.85_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.1_charge--0.0_0.txt.sha256
47 mbar_charge_0.8_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.8.txt.sha256
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47 mbar_charge_0.4_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.2.txt.sha256
47 ti_charge_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.6.txt.sha256
47 mbar_charge_0.8_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0_1.txt.sha256
47 ti_charge_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.4.txt.sha256
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47 mbar_lj-cut-soft-lambda_0.05_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.9_charge--0.0_0.txt
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.4_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.85.data.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.7_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.6_0.6.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.2.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.4.txt.sha256
47 mbar_charge_0.6_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.8.txt
47 mbar_charge_0.2_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.3_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.9_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_0.5.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.5.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.4_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.2_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.3_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_0.5_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.5_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.5_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.75_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.75_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.6_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.6_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.6_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.9_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.85_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.8_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.7_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.2_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.2_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.5_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.5_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.3_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.5_0_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.1_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.4.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_1.txt.sha256
47 mbar_charge_0_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.4.txt.sha256
47 mbar_charge_0_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.6.txt.sha256
47 mbar_charge_1_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.2.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.6.txt.sha256
47 npt_charge_0.6.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.6.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.6.data.sha256
47 ti_charge_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.8.txt.sha256
47 mbar_charge_0.4_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_1.txt.sha256
47 mbar_charge_0.8_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.txt.sha256
47 mbar_charge_0.6_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.txt
47 mbar_charge_0.6_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.75_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.8_charge--0.0_0.txt.sha256
47 npt_lj-cut-soft-lambda_0.7.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.7.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.7.data.sha256
47 mbar_lj-cut-soft-lambda_0.65_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_1_charge--0.0_0.txt.sha256
47 ti_lj-cut-soft-lambda_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.1_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.8_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.05_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.65_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.65_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.95_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.75_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.75_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.4_0.5_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.5_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.5_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.5_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.8_0.7_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.7_charge--0.0_0.txt
47 npt_lj-cut-soft-lambda_0.8.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.8.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.8.data.sha256
47 mbar_lj-cut-soft-lambda_0.1_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.65_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.1_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.4_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.4_0_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.5_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.3_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.75_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.65_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0_0.65_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.65_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.65_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.05_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0.4_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_1.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.4.txt.sha256
47 mbar_charge_0.2_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.txt.sha256
47 mbar_charge_0.4_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.8.txt.sha256
47 mbar_charge_0.8_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.6.txt.sha256
47 npt_charge_0.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.data.sha256
47 mbar_charge_0.4_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.4.txt.sha256
47 ti_charge_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.2.txt.sha256
47 mbar_charge_0.8_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.8.txt.sha256
47 mbar_charge_0.4_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.6.txt.sha256
47 npt_charge_0.2.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.2.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.6_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.0499999999999999_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.0499999999999999_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.0499999999999999_charge--0.0_0.txt.sha256
47 ti_lj-cut-soft-lambda_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.95_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_1_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.0499999999999999_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.95_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.75_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.8_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_0.9.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.9.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.9.data.sha256
47 ti_lj-cut-soft-lambda_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.4_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.4_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.8_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.3_charge--0.0_0.txt.sha256
47 mbar_charge_0.4_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.2.txt.sha256
47 ti_charge_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.6.txt.sha256
47 mbar_charge_0.8_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_1.txt.sha256
47 ti_charge_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_0.4.txt.sha256
47 npt_charge_1.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_1.data
47 mbar_charge_0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.txt.sha256
47 mbar_charge_0.8_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.8_1.txt.sha256
47 mbar_charge_0.6_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.2.txt.sha256
47 mbar_charge_0.2_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.8.txt.sha256
47 mbar_charge_0_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.8.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.8_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.8_0.2_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.2_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.2_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.2_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.3_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.7_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.7_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_1_0.6_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.6_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.6_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.85_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.85_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.85_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.85_0.9_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.9_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0.9_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.8_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.8.data.sha256
47 mbar_charge_1_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_1.txt
47 mbar_charge_1_0.8.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.8.txt
47 mbar_charge_1_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_0.txt.sha256
47 mbar_charge_0.6_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.4.txt.sha256
47 npt_charge_0.4.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.4.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.4.data.sha256
47 mbar_charge_0.6_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.6.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.6_0.6.txt.sha256
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47 mbar_charge_0.2_0.6.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_0.6.txt
47 linear_lj-cut-soft-epsilon_1.3.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/linear_lj-cut-soft-epsilon_1.3.txt
47 mbar_charge_0.4_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.4.txt
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.9_charge--0.0_0.txt.sha256
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47 mbar_lj-cut-soft-lambda_0.95_0_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0_charge--0.0_0.txt
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47 mbar_lj-cut-soft-lambda_0.1_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.75_charge--0.0_0.txt
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0_0.3_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.05_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.5_0.8_charge--0.0_0.txt.sha256
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47 mbar_lj-cut-soft-lambda_0.8_0.05_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.05_charge--0.0_0.txt
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.05_charge--0.0_0.txt.sha256
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47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_1.data.sha256
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47 mbar_lj-cut-soft-lambda_1_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.95_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.95_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.7_0.95_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.95_charge--0.0_0.txt
47 ti_lj-cut-soft-lambda_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.4_0.75_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.7.data.sha256
47 lj-cut-soft-lambda_0.3.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.3.data
47 mbar_lj-cut-soft-lambda_0.9_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.75_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.75_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.65_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.65_0.3_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.7_1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_1_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_1_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.3_0.7_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.3_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.3_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.3_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_0_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/loop.in.sha256
47 mbar_charge_0.2_0.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.2_0.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_1_0.6.txt.sha256
47 mbar_charge_1_0.4.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_1_0.4.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/npt_lj-cut-soft-epsilon_1.data.sha256
47 linear_lj-cut-soft-epsilon_1.5.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/linear_lj-cut-soft-epsilon_1.5.txt
47 npt_lj-cut-soft-lambda_0.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/npt_lj-cut-soft-lambda_0.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_1.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/ti_charge_0.8.txt.sha256
47 linear_lj-cut-soft-epsilon_1.2.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/linear_lj-cut-soft-epsilon_1.2.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/files/linear_lj-cut-soft-epsilon_1.2.txt.sha256
47 mbar_lj-cut-soft-lambda_0.7_0.1_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0.1_charge--0.0_0.txt
47 npt_charge_0.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/npt_charge_0.data
47 initial.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/lj_dimer/run0/initial.data
47 mbar_lj-cut-soft-lambda_0.8_0.8_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.8_0.8_charge--0.0_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.95_0.3_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.4_0.6.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0.8_0.txt.sha256
47 mbar_charge_0_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_0_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.1.data.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/1_remove_benzene_charge/files/mbar_charge_1_1.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.2_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/npt.data.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_0.2.txt.sha256
47 mbar_lj-cut-soft-lambda_0.6_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.4_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.6_0.75_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.75_charge--0.0_0.txt
47 ti_charge_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/ti_charge_1.txt
47 mbar_charge_0.4_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.4_0.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.6_0.65_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0.2_1.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.2.data.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.1_0.75_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.7_0_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.7_0_charge--0.0_0.txt
47 mbar_charge_0_1.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_1.txt
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_0_0.8.txt.sha256
47 npt_charge_0.8.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/npt_charge_0.8.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.85_0_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/3_add_benzene_charge_vacuum/files/mbar_charge_1_1.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_1_0.3_charge--0.0_0.txt.sha256
47 lj-cut-soft-lambda_0.6.data https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/lj-cut-soft-lambda_0.6.data
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/ti_lj-cut-soft-lambda_0.7_charge--0.0_0.txt.sha256
47 https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.05_1_charge--0.0_0.txt.sha256
47 mbar_lj-cut-soft-lambda_0.9_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.9_0.4_charge--0.0_0.txt
47 mbar_lj-cut-soft-lambda_0.75_0.4_charge--0.0_0.txt https://data.nist.gov/od/ds/ark:/88434/mds2-3637/alchemical_data_from_LAMMPS/benzene/2_decouple_benzene/files/mbar_lj-cut-soft-lambda_0.75_0.4_charge--0.0_0.txt

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  • alchemistry
  • bar
  • thermodynamic-integration
  • bennett-acceptance-ratio
  • mbar
  • alchemical
  • lammps

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