{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.210948 0.127656 0.5 ] [ 0.210948 0.872344 0.5 ] [ 0.5 0 0 ] [ 0.789052 0.872344 0.5 ] [ 0.789052 0.127656 0.5 ] [ 0.710948 0.627656 0.5 ] [ 0.710948 0.372344 0.5 ] [ 0 0.5 0 ] [ 0.289052 0.372344 0.5 ] [ 0.289052 0.627656 0.5 ] [ 0.5 0.784682 0 ] [ 0.5 0.215318 0 ] [ 0 0.284682 0 ] [ 0 0.715318 0 ] [ 0 0 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.17349 0 0 ] [ 0.82651 0 0 ] [ 0.5 0.881227 0.5 ] [ 0.5 0.118773 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.67349 0.5 0 ] [ 0.32651 0.5 0 ] [ 0 0.381227 0.5 ] [ 0 0.618773 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.81242341025 "source-unit" "angstrom" } "b" { "source-value" 13.7174758688 "source-unit" "angstrom" } "c" { "source-value" 3.21922331 "source-unit" "angstrom" } }