{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.510241 0.25 ] [ 0 0.989759 0.25 ] [ 0 0.010241 0.75 ] [ 0.5 0.489759 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.954244 ] [ 0.75 0.25 0.545756 ] [ 0.25 0.25 0.545756 ] [ 0.75 0.25 0.954244 ] [ 0 0.418948 0.25 ] [ 0.5 0.081052 0.25 ] [ 0.75 0.75 0.454244 ] [ 0.25 0.75 0.045756 ] [ 0.75 0.75 0.045756 ] [ 0.25 0.75 0.454244 ] [ 0.5 0.918948 0.75 ] [ 0 0.581052 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ce" "Ce" "Ce" "Ce" "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" 6.27355573118 "source-unit" "angstrom" } "b" { "source-value" 6.32287545323 "source-unit" "angstrom" } "c" { "source-value" 8.85167288746 "source-unit" "angstrom" } }