{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.160023 0.855529 ] [ 0.5 0.160023 0.144471 ] [ 0 0.839977 0.144471 ] [ 0.5 0.839977 0.855529 ] [ 0.5 0.660023 0.355529 ] [ 0 0.660023 0.644471 ] [ 0.5 0.339977 0.644471 ] [ 0 0.339977 0.355529 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.319778 0.896542 ] [ 0 0.319778 0.103458 ] [ 0.5 0.680222 0.103458 ] [ 0 0.680222 0.896542 ] [ 0 0.819778 0.396542 ] [ 0.5 0.819778 0.603458 ] [ 0 0.180222 0.603458 ] [ 0.5 0.180222 0.396542 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sn" "Sn" "Sn" "Sn" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.06619277 "source-unit" "angstrom" } "b" { "source-value" 7.60097289 "source-unit" "angstrom" } "c" { "source-value" 14.20949214 "source-unit" "angstrom" } }