{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0.5 0.183725 ] [ 0.5 0.5 0.816275 ] [ 0 0 0.5 ] [ 0 0 0.683725 ] [ 0 0 0.316275 ] [ 0 0 0.098082 ] [ 0 0 0.901918 ] [ 0.5 0.5 0.598082 ] [ 0.5 0.5 0.401918 ] [ 0.5 0 0.903317 ] [ 0 0.5 0.903317 ] [ 0.5 0 0.096683 ] [ 0 0.5 0.096683 ] [ 0 0 0.80364 ] [ 0 0 0 ] [ 0 0 0.19636 ] [ 0 0.5 0.403317 ] [ 0.5 0 0.403317 ] [ 0 0.5 0.596683 ] [ 0.5 0 0.596683 ] [ 0.5 0.5 0.30364 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.69636 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "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" 3.99387971942 "source-unit" "angstrom" } "c" { "source-value" 20.4728436929 "source-unit" "angstrom" } }