{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.188028 ] [ 0 0.188028 0 ] [ 0 0.811972 0 ] [ 0.188028 0 0 ] [ 0.811972 0 0 ] [ 0 0 0.811972 ] [ 0 0.5 0.688028 ] [ 0 0.688028 0.5 ] [ 0 0.311972 0.5 ] [ 0.188028 0.5 0.5 ] [ 0.811972 0.5 0.5 ] [ 0 0.5 0.311972 ] [ 0.5 0 0.688028 ] [ 0.5 0.188028 0.5 ] [ 0.5 0.811972 0.5 ] [ 0.688028 0 0.5 ] [ 0.311972 0 0.5 ] [ 0.5 0 0.311972 ] [ 0.5 0.5 0.188028 ] [ 0.5 0.688028 0 ] [ 0.5 0.311972 0 ] [ 0.688028 0.5 0 ] [ 0.311972 0.5 0 ] [ 0.5 0.5 0.811972 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.25 0 0.75 ] [ 0.75 0.5 0.25 ] [ 0.75 0.25 0 ] [ 0 0.25 0.75 ] [ 0 0.25 0.25 ] [ 0 0 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.5 0.25 ] [ 0.75 0 0.75 ] [ 0.75 0.75 0.5 ] [ 0 0.75 0.25 ] [ 0 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0 0.25 ] [ 0.25 0.5 0.75 ] [ 0.25 0.25 0.5 ] [ 0.5 0.25 0.25 ] [ 0.5 0.25 0.75 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0.75 0.5 0.75 ] [ 0.25 0 0.25 ] [ 0.25 0.75 0 ] [ 0.5 0.75 0.75 ] [ 0.5 0.75 0.25 ] [ 0.834392 0.834392 0.165608 ] [ 0.834392 0.165608 0.165608 ] [ 0.834392 0.834392 0.834392 ] [ 0.165608 0.834392 0.165608 ] [ 0.165608 0.165608 0.165608 ] [ 0.834392 0.165608 0.834392 ] [ 0.165608 0.834392 0.834392 ] [ 0.165608 0.165608 0.834392 ] [ 0.11755 0.61755 0.88245 ] [ 0.61755 0.38245 0.38245 ] [ 0.61755 0.11755 0.11755 ] [ 0.88245 0.11755 0.38245 ] [ 0.38245 0.88245 0.88245 ] [ 0.11755 0.88245 0.61755 ] [ 0.38245 0.61755 0.61755 ] [ 0.88245 0.38245 0.11755 ] [ 0.834392 0.334392 0.665608 ] [ 0.834392 0.665608 0.665608 ] [ 0.834392 0.334392 0.334392 ] [ 0.165608 0.334392 0.665608 ] [ 0.165608 0.665608 0.665608 ] [ 0.834392 0.665608 0.334392 ] [ 0.165608 0.334392 0.334392 ] [ 0.165608 0.665608 0.334392 ] [ 0.11755 0.11755 0.38245 ] [ 0.61755 0.88245 0.88245 ] [ 0.61755 0.61755 0.61755 ] [ 0.88245 0.61755 0.88245 ] [ 0.38245 0.38245 0.38245 ] [ 0.11755 0.38245 0.11755 ] [ 0.38245 0.11755 0.11755 ] [ 0.88245 0.88245 0.61755 ] [ 0.334392 0.834392 0.665608 ] [ 0.334392 0.165608 0.665608 ] [ 0.334392 0.834392 0.334392 ] [ 0.665608 0.834392 0.665608 ] [ 0.665608 0.165608 0.665608 ] [ 0.334392 0.165608 0.334392 ] [ 0.665608 0.834392 0.334392 ] [ 0.665608 0.165608 0.334392 ] [ 0.61755 0.61755 0.38245 ] [ 0.11755 0.38245 0.88245 ] [ 0.11755 0.11755 0.61755 ] [ 0.38245 0.11755 0.88245 ] [ 0.88245 0.88245 0.38245 ] [ 0.61755 0.88245 0.11755 ] [ 0.88245 0.61755 0.11755 ] [ 0.38245 0.38245 0.61755 ] [ 0.334392 0.334392 0.165608 ] [ 0.334392 0.665608 0.165608 ] [ 0.334392 0.334392 0.834392 ] [ 0.665608 0.334392 0.165608 ] [ 0.665608 0.665608 0.165608 ] [ 0.334392 0.665608 0.834392 ] [ 0.665608 0.334392 0.834392 ] [ 0.665608 0.665608 0.834392 ] [ 0.61755 0.11755 0.88245 ] [ 0.11755 0.88245 0.38245 ] [ 0.11755 0.61755 0.11755 ] [ 0.38245 0.61755 0.38245 ] [ 0.88245 0.38245 0.88245 ] [ 0.61755 0.38245 0.61755 ] [ 0.88245 0.11755 0.61755 ] [ 0.38245 0.88245 0.11755 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 11.0524997592 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.831622725172414 "source-unit" "eV" } }