{ "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 0.101014 0.75 ] [ 0 0.898986 0.25 ] [ 0.5 0.601014 0.75 ] [ 0.5 0.398986 0.25 ] [ 0.5 0.941306 0.75 ] [ 0.5 0.058694 0.25 ] [ 0.5 0.248483 0.75 ] [ 0.5 0.751517 0.25 ] [ 0 0.441306 0.75 ] [ 0 0.558694 0.25 ] [ 0 0.748483 0.75 ] [ 0 0.251517 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92046416737 "source-unit" "angstrom" } "b" { "source-value" 14.9366766379 "source-unit" "angstrom" } "c" { "source-value" 3.82200463 "source-unit" "angstrom" } }