{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.80151 0.75 ] [ 0.5 0.19849 0.25 ] [ 0 0.30151 0.75 ] [ 0 0.69849 0.25 ] [ 0.5 0.033346 0.25 ] [ 0.5 0.966654 0.75 ] [ 0 0.533346 0.25 ] [ 0 0.466654 0.75 ] [ 0 0.910598 0.25 ] [ 0 0.089402 0.75 ] [ 0.5 0.410598 0.25 ] [ 0.5 0.589402 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.22755004 "source-unit" "angstrom" } "b" { "source-value" 14.02920646 "source-unit" "angstrom" } "c" { "source-value" 3.1132234 "source-unit" "angstrom" } }