{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.7635 ] [ 0.5 0.5 0.2365 ] [ 0.788772 0.697101 0 ] [ 0.697101 0.211228 0 ] [ 0.211228 0.302899 0 ] [ 0.302899 0.788772 0 ] [ 0 0 0.2635 ] [ 0 0 0.7365 ] [ 0.288772 0.197101 0.5 ] [ 0.197101 0.711228 0.5 ] [ 0.711228 0.802899 0.5 ] [ 0.802899 0.288772 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Co" "Co" "Mo" "Mo" "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" 5.56916269916 "source-unit" "angstrom" } "c" { "source-value" 8.25137046922 "source-unit" "angstrom" } }