case,atoms,energy_eV,max_force_eV_A,nonperiodic task.000.000000,3,-2068.346462391462,1.0218334137030065,True task.000.000001,3,-2068.328290439968,1.6278243200480482,True task.000.000002,3,-2068.3374021672107,1.3822294609521795,True task.000.000003,3,-2068.349756057653,0.8688823774382303,True