{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.259349 0 0.754252 ] [ 0.740651 0 0.754252 ] [ 0 0.760045 0.009057 ] [ 0 0.239955 0.009057 ] [ 0.759349 0.5 0.254252 ] [ 0.240651 0.5 0.254252 ] [ 0.5 0.260045 0.509057 ] [ 0.5 0.739955 0.509057 ] [ 0.5 0 0.118603 ] [ 0.5 0 0.351387 ] [ 0 0 0.374687 ] [ 0 0.5 0.618603 ] [ 0 0.5 0.851387 ] [ 0.5 0.5 0.874687 ] [ 0.235032 0 0.991903 ] [ 0.5 0.72084 0.250767 ] [ 0.764968 0 0.991903 ] [ 0.5 0.27916 0.250767 ] [ 0 0.736477 0.24448 ] [ 0 0.263523 0.24448 ] [ 0.738326 0 0.512202 ] [ 0.261674 0 0.512202 ] [ 0.735032 0.5 0.491903 ] [ 0 0.22084 0.750767 ] [ 0.264968 0.5 0.491903 ] [ 0 0.77916 0.750767 ] [ 0.5 0.236477 0.74448 ] [ 0.5 0.763523 0.74448 ] [ 0.238326 0.5 0.012202 ] [ 0.761674 0.5 0.012202 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.44655625 "source-unit" "angstrom" } "b" { "source-value" 7.50119044 "source-unit" "angstrom" } "c" { "source-value" 10.63400814 "source-unit" "angstrom" } }