SimulationType                MonteCarlo
NumberOfCycles                1000000
NumberOfInitializationCycles  500000
PrintEvery                    5000
RestartFile                   no

Forcefield                    Local
CutOffVDW                     11.8

Framework                     0
FrameworkName                 ITQ-29
RemoveAtomNumberCodeFromLabel yes
UseChargesFromCIFFile         yes
UnitCells                     2 2 2
HeliumVoidFraction            0.401506
ExternalTemperature           300.0
ExternalPressure              1000000.0

Component 0 MoleculeName              CO2
            MoleculeDefinition        Local
            BlockPockets              yes
            BlockPocketsFilename      ITQ-29
            IdealGasRosenbluthWeight  1.0
            FugacityCoefficient       1.0
            MolFraction               0.5
            TranslationProbability    1.0
            RotationProbability       1.0
            ReinsertionProbability    1.0
            IdentityChangeProbability 1.0
              NumberOfIdentityChanges 2
              IdentityChangesList     0 1
            SwapProbability           1.0
            CreateNumberOfMolecules   0

Component 1 MoleculeName              methane
            MoleculeDefinition        Local
            BlockPockets              yes
            BlockPocketsFilename      ITQ-29
            IdealGasRosenbluthWeight  1.0
            FugacityCoefficient       1.0
            MolFraction               0.5
            TranslationProbability    1.0
            RotationProbability       1.0
            ReinsertionProbability    1.0
            IdentityChangeProbability 1.0
              NumberOfIdentityChanges 2
              IdentityChangesList     0 1
            SwapProbability           1.0
            CreateNumberOfMolecules   0