{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.49816 0.75 ] [ 0 0.50184 0.25 ] [ 0.5 0.99816 0.25 ] [ 0.5 0.00184 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.028617 ] [ 0.25 0.25 0.971383 ] [ 0.75 0.25 0.971383 ] [ 0.25 0.25 0.528617 ] [ 0 0.054818 0.25 ] [ 0 0.945182 0.75 ] [ 0.75 0.25 0.528617 ] [ 0.75 0.75 0.471383 ] [ 0.25 0.75 0.471383 ] [ 0.75 0.75 0.028617 ] [ 0.5 0.554818 0.75 ] [ 0.5 0.445182 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "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" 5.37035260973 "source-unit" "angstrom" } "b" { "source-value" 5.4006823058 "source-unit" "angstrom" } "c" { "source-value" 7.55662256963 "source-unit" "angstrom" } }