{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.977429 0.053235 0.25 ] [ 0.477429 0.446765 0.75 ] [ 0.522571 0.553235 0.25 ] [ 0.022571 0.946765 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.703039 0.295774 0.427994 ] [ 0.203039 0.204226 0.572006 ] [ 0.796961 0.795774 0.072006 ] [ 0.296961 0.704226 0.927994 ] [ 0.296961 0.704226 0.572006 ] [ 0.796961 0.795774 0.427994 ] [ 0.203039 0.204226 0.927994 ] [ 0.703039 0.295774 0.072006 ] [ 0.131195 0.43624 0.25 ] [ 0.631195 0.06376 0.75 ] [ 0.368805 0.93624 0.25 ] [ 0.868805 0.56376 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "Pr" "Pr" "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" 6.17982216 "source-unit" "angstrom" } "b" { "source-value" 6.39369426 "source-unit" "angstrom" } "c" { "source-value" 8.88746643 "source-unit" "angstrom" } }