{ "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 0.5 ] [ 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 ] [ 0.435394 0.258272 0.483819 ] [ 0.102061 0.591605 0.817153 ] [ 0.768728 0.924938 0.150486 ] [ 0.822877 0.564606 0.483819 ] [ 0.489544 0.897939 0.817153 ] [ 0.156211 0.231272 0.150486 ] [ 0.258272 0.822877 0.516181 ] [ 0.924938 0.156211 0.849514 ] [ 0.591605 0.489544 0.182847 ] [ 0.177123 0.435394 0.516181 ] [ 0.843789 0.768728 0.849514 ] [ 0.510456 0.102061 0.182847 ] [ 0.564606 0.741728 0.516181 ] [ 0.231272 0.075062 0.849514 ] [ 0.897939 0.408395 0.182847 ] [ 0.741728 0.177123 0.483819 ] [ 0.408395 0.510456 0.817153 ] [ 0.075062 0.843789 0.150486 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.03195798193 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }