{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.802341 0.604683 0.75 ] [ 0.197659 0.802341 0.25 ] [ 0.604683 0.802341 0.25 ] [ 0.395317 0.197659 0.75 ] [ 0.802341 0.197659 0.75 ] [ 0.197659 0.395317 0.25 ] [ 0 0 0.75 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0.25 ] [ 0.847597 0.695195 0.092882 ] [ 0.695195 0.847597 0.907118 ] [ 0.152403 0.304805 0.907118 ] [ 0.152403 0.847597 0.907118 ] [ 0.304805 0.152403 0.407118 ] [ 0.438801 0.561199 0.75 ] [ 0.122398 0.561199 0.75 ] [ 0.877602 0.438801 0.25 ] [ 0.561199 0.438801 0.25 ] [ 0.438801 0.877602 0.75 ] [ 0.333333 0.666667 0.003309 ] [ 0.666667 0.333333 0.503309 ] [ 0.666667 0.333333 0.996691 ] [ 0.333333 0.666667 0.496691 ] [ 0.847597 0.152403 0.407118 ] [ 0.847597 0.695195 0.407118 ] [ 0.152403 0.847597 0.592882 ] [ 0.695195 0.847597 0.592882 ] [ 0.304805 0.152403 0.092882 ] [ 0.847597 0.152403 0.092882 ] [ 0.152403 0.304805 0.592882 ] [ 0.561199 0.122398 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.93197330003 "source-unit" "angstrom" } "c" { "source-value" 8.32308293 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.401811481666666 "source-unit" "eV" } }