{ "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 0 0.19317 ] [ 0 0 0.80683 ] [ 0.5 0.5 0.69317 ] [ 0.5 0.5 0.30683 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.903934 ] [ 0.5 0.5 0.096066 ] [ 0 0 0.403934 ] [ 0 0 0.596066 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.180911 ] [ 0.5 0.5 0.819089 ] [ 0 0.5 0.087383 ] [ 0.5 0 0.087383 ] [ 0.5 0 0.912617 ] [ 0 0.5 0.912617 ] [ 0 0 0.5 ] [ 0 0 0.680911 ] [ 0 0 0.319089 ] [ 0.5 0 0.587383 ] [ 0 0.5 0.587383 ] [ 0 0.5 0.412617 ] [ 0.5 0 0.412617 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sr" "Sr" "Ta" "Ta" "Ta" "Ta" "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" 4.01787117 "source-unit" "angstrom" } "c" { "source-value" 22.08871294 "source-unit" "angstrom" } }