{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.512816 0.5 0 ] [ 0.932574 0.5 0.196097 ] [ 0.932574 0.5 0.803903 ] [ 0.067426 0 0.696097 ] [ 0.067426 0 0.303903 ] [ 0.487184 0 0.5 ] [ 0.935899 0.288701 0.5 ] [ 0.62969 0.5 0.394354 ] [ 0.62969 0.5 0.605646 ] [ 0.935899 0.711299 0.5 ] [ 0.064101 0.788701 0 ] [ 0.37031 0 0.894354 ] [ 0.37031 0 0.105646 ] [ 0.064101 0.211299 0 ] [ 0.284156 0.5 0.5 ] [ 0.715844 0 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.68692874 "source-unit" "angstrom" } "b" { "source-value" 7.32048512 "source-unit" "angstrom" } "c" { "source-value" 14.81804558 "source-unit" "angstrom" } }