{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.689881 0.84137 ] [ 0.5 0.310119 0.15863 ] [ 0.5 0.689881 0.15863 ] [ 0.5 0.310119 0.84137 ] [ 0 0.5 0 ] [ 0 0.189881 0.34137 ] [ 0 0.810119 0.65863 ] [ 0 0.189881 0.65863 ] [ 0 0.810119 0.34137 ] [ 0.5 0 0.737614 ] [ 0.5 0 0.262386 ] [ 0 0.5 0.237614 ] [ 0 0.5 0.762386 ] ] } "species" { "source-value" [ "Pr" "Pr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99723793135 "source-unit" "angstrom" } "b" { "source-value" 7.05194800591 "source-unit" "angstrom" } "c" { "source-value" 9.64115253795 "source-unit" "angstrom" } }