{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.639167 0.724542 0.75 ] [ 0.914625 0.639167 0.25 ] [ 0.724542 0.085375 0.25 ] [ 0.275458 0.914625 0.75 ] [ 0.085375 0.360833 0.75 ] [ 0.360833 0.275458 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.879203 0.568693 0.75 ] [ 0.310511 0.879203 0.25 ] [ 0.568693 0.689489 0.25 ] [ 0.431307 0.310511 0.75 ] [ 0.689489 0.120797 0.75 ] [ 0.120797 0.431307 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 7.73377271 "source-unit" "angstrom" } "c" { "source-value" 5.2687616 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.342899135714285 "source-unit" "eV" } }