Enter the name of the KIM Model you wish to perform calculations for: Enter the name of the species you wish to simulate: Enter the lattice type of the crystal ('bcc', 'diamond', 'fcc', 'hcp', or 'sc'): Enter the lattice constant 'a' in meters: If the lattice type is hcp, enter the lattice constant 'c' in meters (if you are not using hcp as the lattice, simply put any value here, as it will be ignored): Parameters Input: Zr LennardJones612_UniversalShifted__MO_959249795837_002 hcp [3.3872888622099997, 5.82604326574] Cell Size Min: 5 Cell Size Max: 7 Smallest System Size: 250 Largest System Size: 686 [Calculation] Calculating Size 5 ... Step Time Energy fmax MDMin: 0 23:15:32 -6165.845328 58.6229 MDMin: 1 23:15:33 -5438.776932 1065.9563 MDMin: 2 23:15:33 6728835865187667268773871616.000000 4366704160088531418553587335168.0000