{"creator" "Daniel S. Karls" "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "description" "This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant). The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details." "doi" "10.25950/c6746c52" "domain" "openkim.org" "executables" ["runner" "test_template/template_"] "extended-id" "CohesiveEnergyVsLatticeConstant__TD_554653289799_002" "kim-api-version" "2.0" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal"] "publication-year" "2018" "simulator-name" "LAMMPS" "title" "Cohesive energy versus lattice constant curve for monoatomic cubic lattices v002"}