{ "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" [ [ 0.92954 0.302553 0.045211 ] [ 0.42954 0.197447 0.045211 ] [ 0.57046 0.802553 0.545211 ] [ 0.07046 0.697447 0.954789 ] [ 0.139253 0.923505 0.25 ] [ 0.639253 0.576495 0.25 ] [ 0.360747 0.423505 0.75 ] [ 0.860747 0.076495 0.75 ] [ 0.07046 0.697447 0.545211 ] [ 0.42954 0.197447 0.454789 ] [ 0.57046 0.802553 0.954789 ] [ 0.92954 0.302553 0.454789 ] [ 0.773775 0.520393 0.75 ] [ 0.273775 0.979607 0.75 ] [ 0.726225 0.020393 0.25 ] [ 0.226225 0.479607 0.25 ] [ 0.64289 0.471375 0.928525 ] [ 0.14289 0.028625 0.571475 ] [ 0.85711 0.971375 0.071475 ] [ 0.35711 0.528625 0.428525 ] [ 0.35711 0.528625 0.071475 ] [ 0.85711 0.971375 0.428525 ] [ 0.14289 0.028625 0.928525 ] [ 0.64289 0.471375 0.571475 ] [ 0.008584 0.599752 0.25 ] [ 0.508584 0.900248 0.25 ] [ 0.491416 0.099752 0.75 ] [ 0.991416 0.400248 0.75 ] [ 0.174994 0.247914 0.25 ] [ 0.825006 0.752086 0.75 ] [ 0.325006 0.747914 0.75 ] [ 0.674994 0.252086 0.25 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "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" 10.03621522 "source-unit" "angstrom" } "b" { "source-value" 10.63303939 "source-unit" "angstrom" } "c" { "source-value" 11.70207399 "source-unit" "angstrom" } }