{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.324198 0.675802 0.793972 ] [ 0.675802 0.675802 0.206028 ] [ 0.324198 0.324198 0.206028 ] [ 0.675802 0.324198 0.793972 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.824198 0.175802 0.293972 ] [ 0.175802 0.175802 0.706028 ] [ 0.824198 0.824198 0.706028 ] [ 0.175802 0.824198 0.293972 ] [ 0 0.5 0.5 ] [ 0.673525 0.326475 0.077356 ] [ 0.326475 0.673525 0.077356 ] [ 0.673525 0.673525 0.922644 ] [ 0.326475 0.326475 0.922644 ] [ 0.173525 0.826475 0.577356 ] [ 0.826475 0.173525 0.577356 ] [ 0.173525 0.173525 0.422644 ] [ 0.826475 0.826475 0.422644 ] ] } "species" { "source-value" [ "Gd" "Gd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92652910848 "source-unit" "angstrom" } "c" { "source-value" 9.90675749442 "source-unit" "angstrom" } }