Model name: EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003 Species symbol (e.g. Si, Au, Al, etc.): Ca Atomic mass of the species (g/mol): 40.078 Lattice type (bcc, fcc, sc, or diamond): sc Enter a lattice constant (referred to as a_0 below) in meters about which the energy will be computed (This will usually be the equilibrium lattice constant. Most of the volumes sampled will be about this lattice constant.): 4.008363582193852e-10 Smallest lattice spacing (referred to as a_min below) at which to compute the energy, expressed as a fraction of a_0 (for example, if you wish for a_min to be equal to 0.8*a_0, specify 0.8 for this value): 0.5 Largest lattice spacing (referred to as a_max below) at which to compute the energy, expressed as a multiple of a_0 (for example, if you wish for a_max to be equal to 1.5*a_0, specify 1.5 for this value): 1.5 Number of sample lattice spacings to compute which are >= a_min and < a_0 (one of these sample lattice spacings will be equal to a_min): 30 Number of sample lattice spacings to compute which are > a_0 and <= a_max (one of these sample lattice spacings will be equal to a_max): 23 Enter a value of the lower sample spacing parameter (see README.txt for more details): 8 Enter a value of the upper sample spacing parameter (see README.txt for more details): 20 Isolated atom energy: -0.384086482668944 eV Maximum of cohesive energy: 0.850248 eV