UO2-2x2x2-coord-scaled-2.inp                          11    1.0E-14            -77.461096482420359
UO2-2x2x2-coord-scaled-3.inp                          11      7e-14            -77.461096482422946
# Binary restart file
UO2-2x2x2-binary_restart-1.inp                        11    1.0E-14            -77.451036391549238
UO2-2x2x2-binary_restart-2.inp                        11    1.0E-14            -77.426819124310725
UO2-2x2x2-binary_restart-3.inp                        11    1.0E-14            -77.401272663672373
UO2-2x2x2-binary_restart-4.inp                        11    1.0E-14            -77.384190547741795
UO2-2x2x2-binary_restart-cs-1.inp                     11    1.0E-14           -118.496049328333186
UO2-2x2x2-binary_restart-cs-2.inp                     11    1.0E-14           -118.466826928839851
UO2-2x2x2-binary_restart-cs-3.inp                     11    1.0E-14           -118.436664461699593
UO2-2x2x2-binary_restart-cs-4.inp                     11    1.0E-14           -118.419916184934948
UO2-2x2x2-binary_restart-scaled-1.inp                 11    1.0E-14            -77.451036422535751
UO2-2x2x2-binary_restart-scaled-2.inp                 11    1.0E-14            -77.426818554410275
UO2-2x2x2-binary_restart-scaled-3.inp                 11    1.0E-14            -77.401271299843842
UO2-2x2x2-binary_restart-scaled-4.inp                 11    1.0E-14            -77.384189078997920
UO2-2x2x2-binary_restart-cs-scaled-1.inp              11    1.0E-14           -118.496049653055763
UO2-2x2x2-binary_restart-cs-scaled-2.inp              11    1.0E-14           -118.466826735735538
UO2-2x2x2-binary_restart-cs-scaled-3.inp              11    1.0E-14           -118.436663515106090
UO2-2x2x2-binary_restart-cs-scaled-4.inp              11    1.0E-14           -118.419914424522517
# Switch from ASCII to binary restart file
UO2-switch2binary_restart-1.inp                       11    1.0E-14            -77.426302152735047
UO2-switch2binary_restart-2.inp                       11    1.0E-14            -77.379440574247923
UO2-switch2binary_restart-3.inp                       11    1.0E-14            -77.372160495540030
# Binary restart for shell thermostats
UO2-2x2x2-binary_restart-cs-5.inp                     11      9e-10            -118.42118409576369
UO2-2x2x2-binary_restart-cs-6.inp                     11      3e-09            -118.43760091155949
UO2-2x2x2-binary_restart-cs-7.inp                     11      4e-09             -118.4369699187377
UO2-2x2x2-binary_restart-cs-8.inp                     11      5e-09            -118.44029788929353
# Non-harmonic core-shell spring potential
UO2-2x2x2-non-harm-cs.inp                             11    1.0E-14           -118.471207246616927
# GENPOT: Enable units for parameter values
UO2-2x2x2-genpot_units.inp                            11    1.0E-14            -77.461096432231159
# Switch ensemble with binary restart file
UO2-2x2x2-binary_restart-npt-nve-1.inp                11    1.0E-14            -77.447361627232752
UO2-2x2x2-binary_restart-npt-nve-2.inp                11    1.0E-14            -77.423550550309457
UO2-2x2x2-binary_restart-npt-nve-cs-1.inp             11    1.0E-14           -118.496676418722132
UO2-2x2x2-binary_restart-npt-nve-cs-2.inp             11    1.0E-14            -118.46820095021982
UO2-2x2x2-binary_restart-nve-npt-1.inp                11    1.0E-14            -77.451043466455289
UO2-2x2x2-binary_restart-nve-npt-2.inp                11    1.0E-14            -77.422933585101291
UO2-2x2x2-binary_restart-nve-npt-cs-1.inp             11    1.0E-14           -118.508379553618425
UO2-2x2x2-binary_restart-nve-npt-cs-2.inp             11    1.0E-14           -118.506726020459837
# Cascade section
UO2-2x2x2-cascade-1.inp                               11      5e-13            -77.223324647986928
# Enable binary restart with core-shell potential from a non-core-shell potential and vice versa
UO2-2x2x2-nocs2cs-nve-1.inp                           11    1.0E-14            -77.451043466455289
UO2-2x2x2-nocs2cs-nve-2.inp                           11    1.0E-14           -118.461799043114780
UO2-2x2x2-nocs2cs-nve-3.inp                           11    1.0E-14            -77.400354384089582
UO2-2x2x2-nocs2cs-nvt-1.inp                           11    1.0E-14            -77.451036391549238
UO2-2x2x2-nocs2cs-nvt-2.inp                           11    1.0E-14           -118.463066793266336
UO2-2x2x2-nocs2cs-nvt-3.inp                           11    1.0E-14            -77.402157165972909
UO2-2x2x2-nocs2cs-npt-1.inp                           11    1.0E-14            -77.447361627232752
UO2-2x2x2-nocs2cs-npt-2.inp                           11    1.0E-14           -118.468476040377197
UO2-2x2x2-nocs2cs-npt-3.inp                           11    1.0E-14            -77.400614122543701
UO2-2x2x2-nocs2cs-nvt2nve-1.inp                       11    1.0E-14            -77.451036391549238
UO2-2x2x2-nocs2cs-nvt2nve-2.inp                       11    1.0E-14           -118.463067373915493
UO2-2x2x2-nocs2cs-nvt2nve-3.inp                       11    1.0E-14            -77.402162598499288
# Fix (BFGS) geometry optimisation for shell models
UO2-2x2x2-geo_opt-bfgs.inp                            11    1.0E-14            -77.448416774070523
UO2-2x2x2-geo_opt-cg.inp                              11      1E-13            -77.448416774069074
UO2-2x2x2-geo_opt-lbfgs.inp                           11    1.0E-14            -77.448416774070864
UO2-2x2x2-cs-geo_opt-bfgs.inp                         11      2e-13            -118.53015882785337
UO2-2x2x2-cs-geo_opt-cg.inp                           11      1e-11           -118.530158827850585
UO2-2x2x2-cs-geo_opt-lbfgs.inp                        11      3e-14           -118.530158827854791
# Enable fixed atom constraint for core-shell models
UO2-4x4x4-fixd.inp                                    11      9e-14           -619.588154772236749
UO2-4x4x4-cs-fixd.inp                                 43    1.0E-14                       0.008410
UO2-4x4x4-cs-fixd-restart.inp                         44    1.0E-14                       0.017655
UO2-4x4x4-cs-fixd-nvt.inp                             54    1.0E-14                       0.041076
UO2-4x4x4-cs-fixd-npt.inp                             54    1.0E-14                       0.045987
#EOF
