{ "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" [ [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0.25 0.866428 ] [ 0.5 0.25 0.633572 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.75 0.366428 ] [ 0 0.75 0.133572 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.769148 0.25 0.502 ] [ 0.230852 0.25 0.502 ] [ 0.5 0.995199 0.765263 ] [ 0.5 0.504801 0.765263 ] [ 0 0.995199 0.734737 ] [ 0 0.504801 0.734737 ] [ 0.269148 0.25 0.998 ] [ 0.730852 0.25 0.998 ] [ 0.269148 0.75 0.002 ] [ 0.730852 0.75 0.002 ] [ 0 0.495199 0.265263 ] [ 0 0.004801 0.265263 ] [ 0.5 0.495199 0.234737 ] [ 0.5 0.004801 0.234737 ] [ 0.769148 0.75 0.498 ] [ 0.230852 0.75 0.498 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "In" "In" "In" "In" "In" "In" "In" "In" "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" 6.48413744 "source-unit" "angstrom" } "b" { "source-value" 6.66863291 "source-unit" "angstrom" } "c" { "source-value" 9.3205472 "source-unit" "angstrom" } }