{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.906155 0.769743 ] [ 0 0.214314 0.920007 ] [ 0 0.785686 0.079993 ] [ 0 0.093845 0.230257 ] [ 0.5 0.214314 0.079993 ] [ 0.5 0.785686 0.920007 ] [ 0.5 0.093845 0.769743 ] [ 0.5 0.906155 0.230257 ] [ 0.5 0.406155 0.269743 ] [ 0.5 0.714314 0.420007 ] [ 0.5 0.285686 0.579993 ] [ 0.5 0.593845 0.730257 ] [ 0 0.714314 0.579993 ] [ 0 0.285686 0.420007 ] [ 0 0.593845 0.269743 ] [ 0 0.406155 0.730257 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0 0.841612 0.333496 ] [ 0.5 0.158388 0.333496 ] [ 0.5 0.841612 0.666504 ] [ 0 0.158388 0.666504 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.5 0.341612 0.833496 ] [ 0 0.658388 0.833496 ] [ 0 0.341612 0.166504 ] [ 0.5 0.658388 0.166504 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73658093116 "source-unit" "angstrom" } "b" { "source-value" 9.427104103 "source-unit" "angstrom" } "c" { "source-value" 11.3819628843 "source-unit" "angstrom" } }