{ "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 0.105129 0.75 ] [ 0 0.894871 0.25 ] [ 0.5 0.605129 0.75 ] [ 0.5 0.394871 0.25 ] [ 0.5 0.053144 0.25 ] [ 0.5 0.946856 0.75 ] [ 0.5 0.249541 0.75 ] [ 0.5 0.750459 0.25 ] [ 0 0.553144 0.25 ] [ 0 0.446856 0.75 ] [ 0 0.749541 0.75 ] [ 0 0.250459 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.70841644929 "source-unit" "angstrom" } "b" { "source-value" 14.7997213917 "source-unit" "angstrom" } "c" { "source-value" 3.68583502 "source-unit" "angstrom" } }