{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.006164 0.963752 0.75 ] [ 0.506164 0.536248 0.25 ] [ 0.493836 0.463752 0.75 ] [ 0.993836 0.036248 0.25 ] [ 0.695062 0.284009 0.452254 ] [ 0.195062 0.215991 0.547746 ] [ 0.804938 0.784009 0.047746 ] [ 0.304938 0.715991 0.952254 ] [ 0.304938 0.715991 0.547746 ] [ 0.804938 0.784009 0.452254 ] [ 0.195062 0.215991 0.952254 ] [ 0.695062 0.284009 0.047746 ] [ 0.092881 0.468324 0.25 ] [ 0.592881 0.031676 0.75 ] [ 0.907119 0.531676 0.75 ] [ 0.407119 0.968324 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "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" 5.35153399 "source-unit" "angstrom" } "b" { "source-value" 5.38795073 "source-unit" "angstrom" } "c" { "source-value" 7.78553862 "source-unit" "angstrom" } }