{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.137987 0.482014 ] [ 0 0.862013 0.517986 ] [ 0.5 0.862013 0.982014 ] [ 0.5 0.137987 0.017986 ] [ 0.5 0.637987 0.482014 ] [ 0.5 0.362013 0.517986 ] [ 0 0.362013 0.982014 ] [ 0 0.637987 0.017986 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.817828 0.573273 ] [ 0.5 0.182172 0.426727 ] [ 0 0.182172 0.073273 ] [ 0 0.817828 0.926727 ] [ 0.75 0.980023 0.25 ] [ 0.75 0.019977 0.75 ] [ 0.25 0.980023 0.25 ] [ 0.25 0.019977 0.75 ] [ 0 0.317828 0.573273 ] [ 0 0.682172 0.426727 ] [ 0.5 0.682172 0.073273 ] [ 0.5 0.317828 0.926727 ] [ 0.25 0.480023 0.25 ] [ 0.25 0.519977 0.75 ] [ 0.75 0.480023 0.25 ] [ 0.75 0.519977 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Co" "Co" "Co" "Co" "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" 5.49734985439 "source-unit" "angstrom" } "b" { "source-value" 12.5438380062 "source-unit" "angstrom" } "c" { "source-value" 5.75486978 "source-unit" "angstrom" } }