{ "title" "Cohesive energy versus lattice constant curve for monoatomic cubic lattice" "extended-id" "CohesiveEnergyVsLatticeConstant__TD_554653289799_001" "simulator-name" "LAMMPS" "properties" [ "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" ] "creator" "Daniel Karls" "description" "This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic\nlattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings\nrange from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and\na_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice\nconstant). The precise scaling and number of lattice spacings sampled between a_min and a_0\n(a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and\nsamplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details." "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "publication-year" "2016" "kim-api-version" "1.9.0" "pipeline-api-version" "1.0" "executables" [ "runner" "test_template/template_" ] "domain" "openkim.org" }