{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.588201 0.872966 ] [ 0.25 0.537674 0.349827 ] [ 0.75 0.462326 0.650173 ] [ 0.25 0.225441 0.868089 ] [ 0.25 0.088201 0.627034 ] [ 0.75 0.274559 0.368089 ] [ 0.25 0.037674 0.150173 ] [ 0.75 0.962326 0.849827 ] [ 0.75 0.911799 0.372966 ] [ 0.25 0.725441 0.631911 ] [ 0.75 0.774559 0.131911 ] [ 0.75 0.411799 0.127034 ] [ 0.25 0.357863 0.49831 ] [ 0.75 0.142137 0.99831 ] [ 0.25 0.857863 0.00169 ] [ 0.75 0.233225 0.701005 ] [ 0.75 0.922643 0.607292 ] [ 0.75 0.642137 0.50169 ] [ 0.75 0.422643 0.892708 ] [ 0.25 0.766775 0.298995 ] [ 0.75 0.733225 0.798995 ] [ 0.25 0.266775 0.201005 ] [ 0.25 0.077357 0.392708 ] [ 0.25 0.577357 0.107292 ] [ 0.25 0.549616 0.701881 ] [ 0.25 0.049616 0.798119 ] [ 0.75 0.450384 0.298119 ] [ 0.75 0.950384 0.201881 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 4.08608488 "source-unit" "angstrom" } "b" { "source-value" 12.26950901 "source-unit" "angstrom" } "c" { "source-value" 13.23968101 "source-unit" "angstrom" } }