{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.056032 ] [ 0 0 0.207222 ] [ 0.5 0 0.943968 ] [ 0 0 0.792778 ] [ 0.5 0 0.556032 ] [ 0.5 0.5 0.707222 ] [ 0 0.5 0.443968 ] [ 0.5 0.5 0.292778 ] ] } "species" { "source-value" [ "Ti" "Ti" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89365967 "source-unit" "angstrom" } "c" { "source-value" 10.35146351 "source-unit" "angstrom" } }