{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.636213 0.25 ] [ 0 0.363787 0.75 ] [ 0.5 0.136213 0.25 ] [ 0.5 0.863787 0.75 ] [ 0.215613 0.094131 0.75 ] [ 0.784387 0.905869 0.25 ] [ 0.215613 0.905869 0.25 ] [ 0.784387 0.094131 0.75 ] [ 0 0.175377 0.25 ] [ 0 0.824623 0.75 ] [ 0.715613 0.594131 0.75 ] [ 0.284387 0.405869 0.25 ] [ 0.715613 0.405869 0.25 ] [ 0.284387 0.594131 0.75 ] [ 0.5 0.675377 0.25 ] [ 0.5 0.324623 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.16285130064 "source-unit" "angstrom" } "b" { "source-value" 10.9702679049 "source-unit" "angstrom" } "c" { "source-value" 4.90342104 "source-unit" "angstrom" } }