{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.25 0.246552 0.875 ] [ 0.746552 0.25 0.625 ] [ 0.75 0.753448 0.875 ] [ 0.253448 0.75 0.625 ] [ 0.75 0.746552 0.375 ] [ 0.246552 0.75 0.125 ] [ 0.25 0.253448 0.375 ] [ 0.753448 0.25 0.125 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Sn" "Sn" "Sn" "Sn" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.22141031325 "source-unit" "angstrom" } "c" { "source-value" 12.2039529734 "source-unit" "angstrom" } }