{ "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 0.869329 ] [ 0 0 0.130671 ] [ 0.666667 0.333333 0.202662 ] [ 0.666667 0.333333 0.464004 ] [ 0.333333 0.666667 0.535996 ] [ 0.333333 0.666667 0.797338 ] [ 0.666667 0.333333 0.99555 ] [ 0.333333 0.666667 0.00445 ] [ 0.333333 0.666667 0.328883 ] [ 0 0 0.337783 ] [ 0 0 0.662217 ] [ 0.666667 0.333333 0.671117 ] [ 0.006269 0.629007 0.928388 ] [ 0.377262 0.006269 0.071612 ] [ 0.629007 0.622738 0.071612 ] [ 0.370993 0.377262 0.928388 ] [ 0.622738 0.993731 0.928388 ] [ 0.993731 0.370993 0.071612 ] [ 0.672936 0.96234 0.261721 ] [ 0.043929 0.339602 0.404945 ] [ 0.295673 0.956071 0.404945 ] [ 0.03766 0.710596 0.261721 ] [ 0.289404 0.327064 0.261721 ] [ 0.660398 0.704327 0.404945 ] [ 0.339602 0.295673 0.595055 ] [ 0.710596 0.672936 0.738279 ] [ 0.96234 0.289404 0.738279 ] [ 0.704327 0.043929 0.595055 ] [ 0.956071 0.660398 0.595055 ] [ 0.327064 0.03766 0.738279 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01339319 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }