{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.777598 0.222402 0 ] [ 0.222402 0.222402 0 ] [ 0.777598 0.777598 0 ] [ 0.222402 0.777598 0 ] [ 0.30607 0.69393 0.241585 ] [ 0.69393 0.30607 0.241585 ] [ 0.30607 0.30607 0.241585 ] [ 0.69393 0.69393 0.241585 ] [ 0.69393 0.69393 0.758415 ] [ 0.69393 0.30607 0.758415 ] [ 0.30607 0.69393 0.758415 ] [ 0.30607 0.30607 0.758415 ] [ 0.737988 0 0 ] [ 0 0.262012 0 ] [ 0 0.737988 0 ] [ 0.262012 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Sr" "V" "V" "V" "V" "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" 8.06972765192 "source-unit" "angstrom" } "c" { "source-value" 5.70798371 "source-unit" "angstrom" } }