[ step, time{picosecond}, conserved{kelvin}, temperature{kelvin}, kinetic_cv{kelvin}, potential{kelvin}, pressure_cv{megapascal}] [ isotope_tdfep(1.167;C), isotope_scfep(1.167;0) ] [ kinetic_cv{kelvin}(C) ] positions{angstrom} kinetic_cv

1000000 31415

graphene

i-pi_positions.xyz 300 1.0 100 300