{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.916921 ] [ 0 0 0.916412 ] [ 0 0 0.083588 ] [ 0.333333 0.666667 0.083079 ] [ 0.333333 0.666667 0.250255 ] [ 0.666667 0.333333 0.249745 ] [ 0.666667 0.333333 0.416921 ] [ 0 0 0.416412 ] [ 0 0 0.583588 ] [ 0.333333 0.666667 0.583079 ] [ 0.333333 0.666667 0.750255 ] [ 0.666667 0.333333 0.749745 ] [ 0.001668 0.666667 0.916667 ] [ 0.333333 0.335001 0.916667 ] [ 0.664999 0.998332 0.916667 ] [ 0.335001 0.001668 0.083333 ] [ 0.666667 0.664999 0.083333 ] [ 0.998332 0.333333 0.083333 ] [ 0.668335 0 0.25 ] [ 0 0.668335 0.25 ] [ 0.331665 0.331665 0.25 ] [ 0.001668 0.335001 0.416667 ] [ 0.333333 0.998332 0.416667 ] [ 0.664999 0.666667 0.416667 ] [ 0.335001 0.333333 0.583333 ] [ 0.666667 0.001668 0.583333 ] [ 0.998332 0.664999 0.583333 ] [ 0.668335 0.668335 0.75 ] [ 0 0.331665 0.75 ] [ 0.331665 0 0.75 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 5.45657208 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }