{ "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 0.063124 0.75 ] [ 0 0.936876 0.25 ] [ 0.5 0.563124 0.75 ] [ 0.5 0.436876 0.25 ] [ 0.5 0.846966 0.553618 ] [ 0.5 0.153034 0.446382 ] [ 0.5 0.846966 0.946382 ] [ 0.5 0.153034 0.053618 ] [ 0 0.346966 0.553618 ] [ 0 0.653034 0.446382 ] [ 0 0.346966 0.946382 ] [ 0 0.653034 0.053618 ] [ 0 0.214955 0.25 ] [ 0 0.785045 0.75 ] [ 0.5 0.714955 0.25 ] [ 0.5 0.285045 0.75 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04670543 "source-unit" "angstrom" } "b" { "source-value" 9.98268462 "source-unit" "angstrom" } "c" { "source-value" 6.85429098 "source-unit" "angstrom" } }