{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.201871 ] [ 0 0.5 0.798129 ] [ 0 0 0 ] [ 0.5 0 0.701871 ] [ 0.5 0 0.298129 ] [ 0.5 0.5 0.5 ] [ 0.5 0.357104 0 ] [ 0.5 0.642896 0 ] [ 0 0.857104 0.5 ] [ 0 0.142896 0.5 ] [ 0.5 0.244722 0.118209 ] [ 0.5 0.755278 0.118209 ] [ 0.5 0.244722 0.881791 ] [ 0.5 0.755278 0.881791 ] [ 0 0.744722 0.618209 ] [ 0 0.255278 0.618209 ] [ 0 0.744722 0.381791 ] [ 0 0.255278 0.381791 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "B" "B" "B" "B" "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" 3.59626935526 "source-unit" "angstrom" } "b" { "source-value" 6.35552341095 "source-unit" "angstrom" } "c" { "source-value" 10.9289074115 "source-unit" "angstrom" } }