{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.214986 0.52058 ] [ 0.973392 0 0.739154 ] [ 0.526608 0 0.739154 ] [ 0.25 0.285014 0.02058 ] [ 0.25 0.214986 0.47942 ] [ 0.526608 0.5 0.760846 ] [ 0.973392 0.5 0.760846 ] [ 0.75 0.285014 0.97942 ] [ 0.25 0.714986 0.02058 ] [ 0.473392 0.5 0.239154 ] [ 0.026608 0.5 0.239154 ] [ 0.75 0.785014 0.52058 ] [ 0.75 0.714986 0.97942 ] [ 0.026608 0 0.260846 ] [ 0.473392 0 0.260846 ] [ 0.25 0.785014 0.47942 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "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" 6.06815009 "source-unit" "angstrom" } "b" { "source-value" 6.25837245 "source-unit" "angstrom" } "c" { "source-value" 8.64782419 "source-unit" "angstrom" } }