{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.778215 0 ] [ 0.778215 0.5 0 ] [ 0.221785 0.5 0 ] [ 0.5 0.221785 0 ] [ 0 0.721785 0 ] [ 0.721785 0 0 ] [ 0.278215 0 0 ] [ 0 0.278215 0 ] [ 0.629258 0.870742 0.941914 ] [ 0.870742 0.370742 0.941914 ] [ 0.129258 0.629258 0.941914 ] [ 0.370742 0.129258 0.941914 ] [ 0.370742 0.870742 0.058086 ] [ 0.629258 0.129258 0.058086 ] [ 0.870742 0.629258 0.058086 ] [ 0.129258 0.370742 0.058086 ] [ 0.305926 0.52495 0.242001 ] [ 0.52495 0.694074 0.242001 ] [ 0.47505 0.305926 0.242001 ] [ 0.694074 0.47505 0.242001 ] [ 0.694074 0.52495 0.757999 ] [ 0.305926 0.47505 0.757999 ] [ 0.52495 0.305926 0.757999 ] [ 0.47505 0.694074 0.757999 ] [ 0.194074 0.97505 0.757999 ] [ 0.97505 0.805926 0.757999 ] [ 0.02495 0.194074 0.757999 ] [ 0.805926 0.02495 0.757999 ] [ 0.805926 0.97505 0.242001 ] [ 0.194074 0.02495 0.242001 ] [ 0.97505 0.194074 0.242001 ] [ 0.02495 0.805926 0.242001 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Sr" "Sr" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 11.29013725 "source-unit" "angstrom" } "c" { "source-value" 5.5930677 "source-unit" "angstrom" } }