{ "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 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.690842 0.805667 0 ] [ 0.194333 0.690842 0 ] [ 0.805667 0.309158 0 ] [ 0.309158 0.194333 0 ] [ 0.5 0.5 0.777191 ] [ 0.5 0.5 0.222809 ] [ 0.190842 0.305667 0.5 ] [ 0.694333 0.190842 0.5 ] [ 0.305667 0.809158 0.5 ] [ 0.809158 0.694333 0.5 ] [ 0 0 0.277191 ] [ 0 0 0.722809 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Te" "Te" "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" 5.46712929736 "source-unit" "angstrom" } "c" { "source-value" 8.74298851912 "source-unit" "angstrom" } }