{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.229499 0.125202 0.5 ] [ 0.895703 0.770501 0.5 ] [ 0.874798 0.104297 0.5 ] [ 0.573081 0.856287 0.5 ] [ 0.143713 0.716793 0.5 ] [ 0.283207 0.426919 0.5 ] [ 0.886943 0.314595 0 ] [ 0.685405 0.572348 0 ] [ 0.427652 0.113057 0 ] [ 0 0 0 ] [ 0.550758 0.602586 0.5 ] [ 0.397414 0.948171 0.5 ] [ 0.051829 0.449242 0.5 ] [ 0.648734 0.082626 0 ] [ 0.917374 0.566108 0 ] [ 0.433892 0.351266 0 ] [ 0.71587 0.838783 0 ] [ 0.161217 0.877087 0 ] [ 0.122913 0.28413 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 10.0295724017 "source-unit" "angstrom" } "c" { "source-value" 3.91550079 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.027378968095237 "source-unit" "eV" } }