{ "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" [ [ 0.673372 0.173372 0.5 ] [ 0.173372 0.326628 0.5 ] [ 0.826628 0.673372 0.5 ] [ 0.326628 0.826628 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.879925 0.379925 0 ] [ 0.379925 0.120075 0 ] [ 0.620075 0.879925 0 ] [ 0.120075 0.620075 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55717572 "source-unit" "angstrom" } "c" { "source-value" 3.88997439 "source-unit" "angstrom" } }