{ "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 0.754207 0.75 ] [ 0 0.245793 0.25 ] [ 0.754207 0.754207 0.25 ] [ 0.754207 0 0.75 ] [ 0.245793 0.245793 0.75 ] [ 0.245793 0 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.395431 0 0.75 ] [ 0.395431 0.395431 0.25 ] [ 0 0.604569 0.25 ] [ 0 0.395431 0.75 ] [ 0.604569 0.604569 0.75 ] [ 0.604569 0 0.25 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 7.52935678689 "source-unit" "angstrom" } "c" { "source-value" 5.27979711 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.948726274375 "source-unit" "eV" } }