{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.687052 ] [ 0.333333 0.666667 0.312948 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.186781 0.813219 0.170987 ] [ 0.333333 0.666667 0.565386 ] [ 0.666667 0.333333 0.434614 ] [ 0.813219 0.186781 0.829013 ] [ 0.813219 0.626438 0.829013 ] [ 0.373562 0.186781 0.829013 ] [ 0.626438 0.813219 0.170987 ] [ 0.186781 0.373562 0.170987 ] ] } "species" { "source-value" [ "P" "P" "Pd" "Pd" "Pd" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 7.24705227695 "source-unit" "angstrom" } "c" { "source-value" 7.57877938 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.896431293076923 "source-unit" "eV" } }