{ "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" [ [ 0.182853 0.682853 0 ] [ 0.682853 0.817147 0 ] [ 0.317147 0.182853 0 ] [ 0.817147 0.317147 0 ] [ 0.911989 0.588011 0.5 ] [ 0.588011 0.088011 0.5 ] [ 0.411989 0.911989 0.5 ] [ 0.088011 0.411989 0.5 ] [ 0.03887 0.17422 0.5 ] [ 0.17422 0.96113 0.5 ] [ 0.82578 0.03887 0.5 ] [ 0.96113 0.82578 0.5 ] [ 0.46113 0.67422 0.5 ] [ 0.53887 0.32578 0.5 ] [ 0.67422 0.53887 0.5 ] [ 0.32578 0.46113 0.5 ] [ 0 0 0.204796 ] [ 0.5 0.5 0.795204 ] [ 0 0 0.795204 ] [ 0.5 0.5 0.204796 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 7.23841713 "source-unit" "angstrom" } "c" { "source-value" 4.11995758 "source-unit" "angstrom" } }