{ "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 0.877403 ] [ 0 0 0.122597 ] [ 0.5 0.5 0.377403 ] [ 0.5 0.5 0.622597 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.815261 ] [ 0.5 0.5 0.184739 ] [ 0 0 0.315261 ] [ 0 0 0.684739 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11133348993 "source-unit" "angstrom" } "c" { "source-value" 17.5233695372 "source-unit" "angstrom" } }