{ "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" [ [ 0.175908 0.087954 0.484437 ] [ 0.912046 0.824092 0.484437 ] [ 0.912046 0.087954 0.484437 ] [ 0.842575 0.421287 0.817771 ] [ 0.578713 0.157425 0.817771 ] [ 0.578713 0.421287 0.817771 ] [ 0.509242 0.754621 0.151104 ] [ 0.245379 0.490758 0.151104 ] [ 0.245379 0.754621 0.151104 ] [ 0.775318 0.887659 0.007363 ] [ 0.112341 0.224682 0.007363 ] [ 0.112341 0.887659 0.007363 ] [ 0.441985 0.220992 0.340696 ] [ 0.779008 0.558015 0.340696 ] [ 0.779008 0.220992 0.340696 ] [ 0.108651 0.554326 0.674029 ] [ 0.445674 0.891349 0.674029 ] [ 0.445674 0.554326 0.674029 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 9.56435247 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }