{ "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" [ [ 0.708459 0.164049 0.43054 ] [ 0.375126 0.497382 0.763873 ] [ 0.041793 0.830716 0.097207 ] [ 0.835951 0.54441 0.43054 ] [ 0.502618 0.877744 0.763873 ] [ 0.169284 0.211077 0.097207 ] [ 0.45559 0.291541 0.43054 ] [ 0.122256 0.624874 0.763873 ] [ 0.788923 0.958207 0.097207 ] [ 0.291541 0.835951 0.56946 ] [ 0.958207 0.169284 0.902793 ] [ 0.624874 0.502618 0.236127 ] [ 0.164049 0.45559 0.56946 ] [ 0.830716 0.788923 0.902793 ] [ 0.497382 0.122256 0.236127 ] [ 0.54441 0.708459 0.56946 ] [ 0.211077 0.041793 0.902793 ] [ 0.877744 0.375126 0.236127 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.0529147595 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }