Author: Daniel S. Karls (karl0100 |AT| umn DOT edu), University of Minnesota Date: 10/10/2014 This example LAMMPS Test makes use of the LAMMPSExample__TD_567444853524_003 Test Driver to compute the cohesive energy and equilibrium lattice constant of an FCC Argon lattice using an initial guess of 5.3 Angstroms for the lattice constant. The relaxation carried out by LAMMPS via its 'minimize' command is a conjugate gradient minimization (more specifically, of the Polak-Ribiere variety). Notice that both the 'equilibrium-crystal-structure' and 'cohesive-energy' properties are reported by the test (see pipeline.out in the Test Result directory). Although these two properties contain some duplicate information in this case, this facilitates the querying process in case e.g., a query is being performed only against .equilibrium-crystal-structure'. Note: Any Test which makes use of a Test Driver can have as its executable the standard python script used as the Test executable here (i.e. the file LammpsExample__TE_565333229701_003)