{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.334904 ] [ 0 0.25 0.165096 ] [ 0.5 0.25 0.665096 ] [ 0 0.75 0.834904 ] [ 0.730165 0.078241 0.392963 ] [ 0.230165 0.921759 0.107037 ] [ 0.769835 0.578241 0.107037 ] [ 0.269835 0.421759 0.392963 ] [ 0.730165 0.578241 0.607037 ] [ 0.230165 0.421759 0.892963 ] [ 0.769835 0.078241 0.892963 ] [ 0.269835 0.921759 0.607037 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "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" 4.79297806 "source-unit" "angstrom" } "b" { "source-value" 5.31340743 "source-unit" "angstrom" } "c" { "source-value" 5.83084992 "source-unit" "angstrom" } }