{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.333686 ] [ 0.666667 0.333333 0.667019 ] [ 0.333333 0.666667 0.000352 ] [ 0 0 0.720178 ] [ 0.666667 0.333333 0.053511 ] [ 0.333333 0.666667 0.386844 ] [ 0 0 0.612692 ] [ 0.666667 0.333333 0.946026 ] [ 0.333333 0.666667 0.279359 ] [ 0.022273 0.339455 0.414105 ] [ 0.688939 0.672788 0.747438 ] [ 0.355606 0.006121 0.080771 ] [ 0.317182 0.977727 0.414105 ] [ 0.983849 0.311061 0.747438 ] [ 0.650515 0.644394 0.080771 ] [ 0.660545 0.682818 0.414105 ] [ 0.327212 0.016151 0.747438 ] [ 0.993879 0.349485 0.080771 ] [ 0.98054 0.670993 0.585699 ] [ 0.647207 0.004326 0.919033 ] [ 0.313873 0.33766 0.252366 ] [ 0.690453 0.01946 0.585699 ] [ 0.35712 0.352793 0.919033 ] [ 0.023786 0.686127 0.252366 ] [ 0.329007 0.309547 0.585699 ] [ 0.995674 0.64288 0.919033 ] [ 0.66234 0.976214 0.252366 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "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" 6.12716781786 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }