{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.648473 0.92109 0.75 ] [ 0.148473 0.57891 0.75 ] [ 0.851527 0.42109 0.25 ] [ 0.351527 0.07891 0.25 ] [ 0.06185 0.805747 0.044359 ] [ 0.56185 0.694253 0.455641 ] [ 0.43815 0.305747 0.955641 ] [ 0.93815 0.194253 0.544359 ] [ 0.93815 0.194253 0.955641 ] [ 0.43815 0.305747 0.544359 ] [ 0.56185 0.694253 0.044359 ] [ 0.06185 0.805747 0.455641 ] [ 0.766369 0.976711 0.25 ] [ 0.233631 0.023289 0.75 ] [ 0.733631 0.476711 0.75 ] [ 0.266369 0.523289 0.25 ] [ 0.357041 0.97292 0.92072 ] [ 0.857041 0.52708 0.57928 ] [ 0.142959 0.47292 0.07928 ] [ 0.642959 0.02708 0.42072 ] [ 0.024004 0.91034 0.75 ] [ 0.524004 0.58966 0.75 ] [ 0.475996 0.41034 0.25 ] [ 0.975996 0.08966 0.25 ] [ 0.642959 0.02708 0.07928 ] [ 0.357041 0.97292 0.57928 ] [ 0.857041 0.52708 0.92072 ] [ 0.142959 0.47292 0.42072 ] [ 0.813358 0.755281 0.25 ] [ 0.313358 0.744719 0.25 ] [ 0.686642 0.255281 0.75 ] [ 0.186642 0.244719 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.84282208 "source-unit" "angstrom" } "b" { "source-value" 10.42730998 "source-unit" "angstrom" } "c" { "source-value" 11.51458776 "source-unit" "angstrom" } }