{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.985931 0.75 ] [ 0 0.014069 0.25 ] [ 0.5 0.485931 0.25 ] [ 0.5 0.514069 0.75 ] [ 0 0.191283 0.51066 ] [ 0 0.808717 0.48934 ] [ 0 0.191283 0.98934 ] [ 0 0.808717 0.01066 ] [ 0.202241 0.485592 0.25 ] [ 0.702241 0.014408 0.25 ] [ 0.297759 0.985592 0.75 ] [ 0.797759 0.514408 0.75 ] [ 0.5 0.691283 0.01066 ] [ 0.5 0.308717 0.98934 ] [ 0.5 0.691283 0.48934 ] [ 0.5 0.308717 0.51066 ] [ 0.702241 0.985592 0.75 ] [ 0.202241 0.514408 0.75 ] [ 0.797759 0.485592 0.25 ] [ 0.297759 0.014408 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62110199 "source-unit" "angstrom" } "b" { "source-value" 6.70389321 "source-unit" "angstrom" } "c" { "source-value" 6.96627157 "source-unit" "angstrom" } }