{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.799138 0.700862 0.299138 ] [ 0.700862 0.299138 0.799138 ] [ 0.299138 0.799138 0.700862 ] [ 0.200862 0.200862 0.200862 ] [ 0.433908 0.433908 0.433908 ] [ 0.933908 0.066092 0.566092 ] [ 0.066092 0.566092 0.933908 ] [ 0.566092 0.933908 0.066092 ] [ 0.914711 0.914711 0.914711 ] [ 0.585289 0.085289 0.414711 ] [ 0.085289 0.414711 0.585289 ] [ 0.414711 0.585289 0.085289 ] [ 0.654047 0.654047 0.654047 ] [ 0.154047 0.845953 0.345953 ] [ 0.845953 0.345953 0.154047 ] [ 0.345953 0.154047 0.845953 ] [ 0.625995 0.968096 0.731778 ] [ 0.125995 0.531904 0.268222 ] [ 0.374005 0.468096 0.768222 ] [ 0.531904 0.268222 0.125995 ] [ 0.768222 0.374005 0.468096 ] [ 0.268222 0.125995 0.531904 ] [ 0.968096 0.731778 0.625995 ] [ 0.731778 0.625995 0.968096 ] [ 0.468096 0.768222 0.374005 ] [ 0.031904 0.231778 0.874005 ] [ 0.231778 0.874005 0.031904 ] [ 0.874005 0.031904 0.231778 ] [ 0.651589 0.002083 0.595493 ] [ 0.151589 0.497917 0.404507 ] [ 0.348411 0.502083 0.904507 ] [ 0.497917 0.404507 0.151589 ] [ 0.904507 0.348411 0.502083 ] [ 0.404507 0.151589 0.497917 ] [ 0.002083 0.595493 0.651589 ] [ 0.595493 0.651589 0.002083 ] [ 0.502083 0.904507 0.348411 ] [ 0.997917 0.095493 0.848411 ] [ 0.095493 0.848411 0.997917 ] [ 0.848411 0.997917 0.095493 ] [ 0.581929 0.831612 0.74257 ] [ 0.081929 0.668388 0.25743 ] [ 0.418071 0.331612 0.75743 ] [ 0.668388 0.25743 0.081929 ] [ 0.75743 0.418071 0.331612 ] [ 0.25743 0.081929 0.668388 ] [ 0.71157 0.474423 0.553216 ] [ 0.74257 0.581929 0.831612 ] [ 0.331612 0.75743 0.418071 ] [ 0.168388 0.24257 0.918071 ] [ 0.24257 0.918071 0.168388 ] [ 0.918071 0.168388 0.24257 ] [ 0.525577 0.053216 0.78843 ] [ 0.025577 0.446784 0.21157 ] [ 0.474423 0.553216 0.71157 ] [ 0.446784 0.21157 0.025577 ] [ 0.753001 0.011978 0.306795 ] [ 0.306795 0.753001 0.011978 ] [ 0.011978 0.306795 0.753001 ] [ 0.488022 0.693205 0.253001 ] [ 0.806795 0.746999 0.988022 ] [ 0.988022 0.806795 0.746999 ] [ 0.193205 0.246999 0.511978 ] [ 0.693205 0.253001 0.488022 ] [ 0.511978 0.193205 0.246999 ] [ 0.253001 0.488022 0.693205 ] [ 0.246999 0.511978 0.193205 ] [ 0.746999 0.988022 0.806795 ] [ 0.974423 0.946784 0.28843 ] [ 0.28843 0.974423 0.946784 ] [ 0.946784 0.28843 0.974423 ] [ 0.553216 0.71157 0.474423 ] [ 0.78843 0.525577 0.053216 ] [ 0.053216 0.78843 0.525577 ] [ 0.21157 0.025577 0.446784 ] [ 0.831612 0.74257 0.581929 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.38532474 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.384688936184211 "source-unit" "eV" } }