{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.786676 ] [ 0.798189 0.596377 0.752438 ] [ 0.201811 0.403623 0.252438 ] [ 0.403623 0.201811 0.752438 ] [ 0.201811 0.798189 0.252438 ] [ 0.596377 0.798189 0.252438 ] [ 0.666667 0.333333 0.286676 ] [ 0.798189 0.201811 0.752438 ] [ 0.935669 0.467835 0.030713 ] [ 0.467835 0.935669 0.530713 ] [ 0.532165 0.467835 0.030713 ] [ 0.467835 0.532165 0.530713 ] [ 0.064331 0.532165 0.530713 ] [ 0.532165 0.064331 0.030713 ] [ 0.333333 0.666667 0.131732 ] [ 0.666667 0.333333 0.631732 ] [ 0.13128 0.26256 0.861533 ] [ 0.13128 0.86872 0.861533 ] [ 0.73744 0.86872 0.861533 ] [ 0.86872 0.13128 0.361533 ] [ 0.26256 0.13128 0.361533 ] [ 0.86872 0.73744 0.361533 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "S" "S" "S" "S" "S" "S" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.43712105293 "source-unit" "angstrom" } "c" { "source-value" 6.93573069 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.200631752272727 "source-unit" "eV" } }