Model name:
LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003
Species symbol (e.g. Si, Au, Al, etc.):
Kr
Atomic mass of the species (g/mol):
83.798
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.):
3.911210127174854e-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):
0.8
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):
18
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 eV

Maximum of cohesive energy: 0.0701872 eV