{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.492377 ] [ 0.666667 0.333333 0.82571 ] [ 0.333333 0.666667 0.159044 ] [ 0 0 0.995063 ] [ 0.666667 0.333333 0.328397 ] [ 0.333333 0.666667 0.66173 ] [ 0 0 0.131883 ] [ 0.666667 0.333333 0.465216 ] [ 0.333333 0.666667 0.798549 ] [ 0 0 0.631677 ] [ 0.666667 0.333333 0.96501 ] [ 0.333333 0.666667 0.298344 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39123763017 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }