{ "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 0.070257 0.25 ] [ 0.5 0.929743 0.75 ] [ 0 0.570257 0.25 ] [ 0 0.429743 0.75 ] [ 0 0.140275 0.947269 ] [ 0 0.859725 0.052731 ] [ 0 0.859725 0.447269 ] [ 0 0.140275 0.552731 ] [ 0.5 0.640275 0.947269 ] [ 0.5 0.359725 0.052731 ] [ 0.5 0.359725 0.447269 ] [ 0.5 0.640275 0.552731 ] [ 0.5 0.784292 0.25 ] [ 0.5 0.215708 0.75 ] [ 0 0.284292 0.25 ] [ 0 0.715708 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "In" "In" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.59912013 "source-unit" "angstrom" } "b" { "source-value" 10.47380524 "source-unit" "angstrom" } "c" { "source-value" 8.0489643 "source-unit" "angstrom" } }