{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.253171 0 0.25 ] [ 0.253171 0.253171 0.75 ] [ 0 0.746829 0.75 ] [ 0 0.253171 0.25 ] [ 0.746829 0.746829 0.25 ] [ 0.746829 0 0.75 ] [ 0.609762 0 0.25 ] [ 0.609762 0.609762 0.75 ] [ 0 0.390238 0.75 ] [ 0 0.609762 0.25 ] [ 0.390238 0.390238 0.25 ] [ 0.390238 0 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.59541017257 "source-unit" "angstrom" } "c" { "source-value" 7.463552 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.60131013125 "source-unit" "eV" } }