{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.194361 0.205405 0.636361 ] [ 0.861028 0.538738 0.969695 ] [ 0.527695 0.872072 0.303028 ] [ 0.011044 0.805639 0.636361 ] [ 0.67771 0.138972 0.969695 ] [ 0.344377 0.472305 0.303028 ] [ 0.794595 0.988956 0.636361 ] [ 0.461262 0.32229 0.969695 ] [ 0.127928 0.655623 0.303028 ] [ 0.32229 0.461262 0.530305 ] [ 0.988956 0.794595 0.863639 ] [ 0.655623 0.127928 0.196972 ] [ 0.138972 0.67771 0.530305 ] [ 0.805639 0.011044 0.863639 ] [ 0.472305 0.344377 0.196972 ] [ 0.538738 0.861028 0.530305 ] [ 0.205405 0.194361 0.863639 ] [ 0.872072 0.527695 0.196972 ] [ 0.805639 0.794595 0.363639 ] [ 0.472305 0.127928 0.696972 ] [ 0.138972 0.461262 0.030305 ] [ 0.988956 0.194361 0.363639 ] [ 0.655623 0.527695 0.696972 ] [ 0.32229 0.861028 0.030305 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.583333 ] [ 0.333333 0.666667 0.916667 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.083333 ] [ 0.333333 0.666667 0.416667 ] [ 0.461262 0.138972 0.469695 ] [ 0.127928 0.472305 0.803028 ] [ 0.794595 0.805639 0.136361 ] [ 0.861028 0.32229 0.469695 ] [ 0.527695 0.655623 0.803028 ] [ 0.194361 0.988956 0.136361 ] [ 0.67771 0.538738 0.469695 ] [ 0.344377 0.872072 0.803028 ] [ 0.011044 0.205405 0.136361 ] [ 0.205405 0.011044 0.363639 ] [ 0.872072 0.344377 0.696972 ] [ 0.538738 0.67771 0.030305 ] [ 0.013039 0.666667 0.416667 ] [ 0.679705 0 0.75 ] [ 0.346372 0.333333 0.083333 ] [ 0.653628 0.986961 0.416667 ] [ 0.320295 0.320295 0.75 ] [ 0.986961 0.653628 0.083333 ] [ 0.333333 0.346372 0.416667 ] [ 0 0.679705 0.75 ] [ 0.666667 0.013039 0.083333 ] [ 0.986961 0.333333 0.583333 ] [ 0.653628 0.666667 0.916667 ] [ 0.320295 0 0.25 ] [ 0.346372 0.013039 0.583333 ] [ 0.013039 0.346372 0.916667 ] [ 0.679705 0.679705 0.25 ] [ 0.666667 0.653628 0.583333 ] [ 0.333333 0.986961 0.916667 ] [ 1 0.320295 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.16909364539 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }