{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.935409 0.75 0.10243 ] [ 0.935409 0.25 0.39757 ] [ 0.064591 0.25 0.89757 ] [ 0.064591 0.75 0.60243 ] [ 0.473633 0.75 0.33412 ] [ 0.473633 0.25 0.16588 ] [ 0.526367 0.25 0.66588 ] [ 0.526367 0.75 0.83412 ] [ 0.428084 0.5 0.75 ] [ 0.571916 0 0.25 ] [ 0.571916 0.5 0.25 ] [ 0.428084 0 0.75 ] [ 0.614759 0.75 0.461138 ] [ 0.614759 0.25 0.038862 ] [ 0.385241 0.25 0.538862 ] [ 0.385241 0.75 0.961138 ] [ 0.829952 0.75 0.851886 ] [ 0.829952 0.25 0.648114 ] [ 0.170048 0.25 0.148114 ] [ 0.170048 0.75 0.351886 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "V" "V" "V" "V" "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" 5.4985284 "source-unit" "angstrom" } "b" { "source-value" 5.82546751 "source-unit" "angstrom" } "c" { "source-value" 11.62561857 "source-unit" "angstrom" } }