{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.855004 ] [ 0.5 0.5 0.144996 ] [ 0 0 0.718122 ] [ 0 0 0.281878 ] [ 0 0 0 ] [ 0 0 0.603623 ] [ 0 0 0.396377 ] [ 0.5 0 0.744029 ] [ 0 0.5 0.744029 ] [ 0.5 0 0.255971 ] [ 0 0.5 0.255971 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.126698 ] [ 0 0 0.873302 ] ] } "species" { "source-value" [ "Cs" "Sr" "Sr" "Nb" "Nb" "Nb" "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" 3.99915524 "source-unit" "angstrom" } "c" { "source-value" 15.67114984 "source-unit" "angstrom" } }