{ "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" [ [ 0.146869 0.853131 0.46057 ] [ 0.853131 0.706263 0.96057 ] [ 0.293737 0.146869 0.96057 ] [ 0.706263 0.853131 0.46057 ] [ 0.146869 0.293737 0.46057 ] [ 0.853131 0.146869 0.96057 ] [ 0.531708 0.468292 0.631296 ] [ 0.468292 0.936585 0.131296 ] [ 0.063415 0.531708 0.131296 ] [ 0.936585 0.468292 0.631296 ] [ 0.531708 0.063415 0.631296 ] [ 0.468292 0.531708 0.131296 ] [ 0.666667 0.333333 0.247131 ] [ 0.333333 0.666667 0.747131 ] [ 0.810891 0.189109 0.354121 ] [ 0.189109 0.378218 0.854121 ] [ 0.333333 0.666667 0.408009 ] [ 0.666667 0.333333 0.908009 ] [ 0.189109 0.810891 0.854121 ] [ 0.810891 0.621782 0.354121 ] [ 0.378218 0.189109 0.354121 ] [ 0.621782 0.810891 0.854121 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 8.94658788 "source-unit" "angstrom" } "c" { "source-value" 6.94735417 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.910126634090909 "source-unit" "eV" } }