{ "title" "Cohesive energy and equilibrium lattice constant of graphene" "extended-id" "LatticeConstant2DHexagonalEnergy_Graphene__TE_638394465817_000" "test-driver" "LatticeConstant2DHexagonalEnergy__TD_034540307932_000" "species" [ "C" ] "creator" "Ilia Nikiforov" "description" "This Test uses LAMMPS to compute the cohesive energy and lattice constant\n of graphene using conjugate gradient minimization with an initial guess of 2.5 Angstroms \n for the equilibrium lattice constant." "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "publication-year" "2015" "kim-api-version" "1.9.0" "executables" [ "runner" ] "domain" "openkim.org" }