{ "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 0.857513 ] [ 0.666667 0.333333 0.190847 ] [ 0.333333 0.666667 0.52418 ] [ 0 0 0.005569 ] [ 0.666667 0.333333 0.338903 ] [ 0.333333 0.666667 0.672236 ] [ 0 0 0.266656 ] [ 0.666667 0.333333 0.599989 ] [ 0.333333 0.666667 0.933322 ] [ 0 0 0.120262 ] [ 0.666667 0.333333 0.453595 ] [ 0.333333 0.666667 0.786928 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.27959959111 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }