{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.832067 ] [ 0.666667 0.333333 0.1654 ] [ 0.333333 0.666667 0.498733 ] [ 0 0 0.167933 ] [ 0.666667 0.333333 0.501267 ] [ 0.333333 0.666667 0.8346 ] [ 0.996801 0.64308 0.578635 ] [ 0.663468 0.976413 0.911968 ] [ 0.330135 0.309747 0.245301 ] [ 0.646279 0.003199 0.578635 ] [ 0.312945 0.336532 0.911968 ] [ 0.979612 0.669865 0.245301 ] [ 0.35692 0.353721 0.578635 ] [ 0.023587 0.687055 0.911968 ] [ 0.690253 0.020388 0.245301 ] [ 0.003199 0.35692 0.421365 ] [ 0.669865 0.690253 0.754699 ] [ 0.336532 0.023587 0.088032 ] [ 0.353721 0.996801 0.421365 ] [ 0.020388 0.330135 0.754699 ] [ 0.687055 0.663468 0.088032 ] [ 0.64308 0.646279 0.421365 ] [ 0.309747 0.979612 0.754699 ] [ 0.976413 0.312945 0.088032 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66681559444 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }