{ "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" [ [ 0.5 0.5 0.846891 ] [ 0.5 0.5 0.153109 ] [ 0 0 0.346891 ] [ 0 0 0.653109 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.123781 ] [ 0 0 0.876219 ] [ 0.5 0.5 0.623781 ] [ 0.5 0.5 0.376219 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ni" "Ni" "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" 4.40113944 "source-unit" "angstrom" } "c" { "source-value" 13.85555456 "source-unit" "angstrom" } }