{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.686503 ] [ 0.75 0.5 0.313497 ] [ 0.75 0 0.313497 ] [ 0.25 0 0.686503 ] [ 0.35322 0.75 0.072179 ] [ 0.765945 0.25 0.679476 ] [ 0.234055 0.75 0.320524 ] [ 0.734055 0.75 0.679476 ] [ 0.85322 0.75 0.927821 ] [ 0.265945 0.25 0.320524 ] [ 0.64678 0.25 0.927821 ] [ 0.14678 0.25 0.072179 ] [ 0.351036 0.75 0.936996 ] [ 0.378555 0.75 0.221029 ] [ 0.621445 0.25 0.778971 ] [ 0.648964 0.25 0.063004 ] [ 0.878555 0.75 0.778971 ] [ 0.113693 0.75 0.420945 ] [ 0.148964 0.25 0.936996 ] [ 0.386307 0.25 0.420945 ] [ 0.121445 0.25 0.221029 ] [ 0.851036 0.75 0.063004 ] [ 0.886307 0.25 0.579055 ] [ 0.613693 0.75 0.579055 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.67474515 "source-unit" "angstrom" } "b" { "source-value" 7.70894487 "source-unit" "angstrom" } "c" { "source-value" 8.71726251 "source-unit" "angstrom" } }