{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.592835 0.894567 0.08342 ] [ 0.825943 0.336465 0.216819 ] [ 0.407165 0.394567 0.41658 ] [ 0.325943 0.163535 0.783181 ] [ 0.092835 0.605433 0.91658 ] [ 0.907165 0.105433 0.58342 ] [ 0.174057 0.836465 0.283181 ] [ 0.674057 0.663535 0.716819 ] [ 0.589252 0.434019 0.969498 ] [ 0.089252 0.065981 0.030502 ] [ 0.675989 0.824037 0.387012 ] [ 0.410748 0.934019 0.530502 ] [ 0.324011 0.324037 0.112988 ] [ 0.824011 0.175963 0.887012 ] [ 0.910748 0.565981 0.469498 ] [ 0.175989 0.675963 0.612988 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55911548 "source-unit" "angstrom" } "b" { "source-value" 7.78656706 "source-unit" "angstrom" } "c" { "source-value" 13.49537598 "source-unit" "angstrom" } }