{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.819919 0.680081 0.5 ] [ 0.319919 0.819919 0.5 ] [ 0.180081 0.319919 0.5 ] [ 0.680081 0.180081 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.108222 0.608222 0 ] [ 0.608222 0.891778 0 ] [ 0.391778 0.108222 0 ] [ 0.891778 0.391778 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Re" "Re" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.94909522 "source-unit" "angstrom" } "c" { "source-value" 3.17834665 "source-unit" "angstrom" } }