{ "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 0 0.150523 ] [ 0.666667 0.333333 0.483856 ] [ 0.333333 0.666667 0.817189 ] [ 0 0 0.349477 ] [ 0.666667 0.333333 0.682811 ] [ 0.333333 0.666667 0.016144 ] [ 0 0 0.849477 ] [ 0.666667 0.333333 0.182811 ] [ 0.333333 0.666667 0.516144 ] [ 0 0 0.650523 ] [ 0.666667 0.333333 0.983856 ] [ 0.333333 0.666667 0.317189 ] [ 0.666667 0.030892 0.583333 ] [ 0.333333 0.364226 0.916667 ] [ 1 0.697559 0.25 ] [ 0.969108 0.635774 0.583333 ] [ 0.635774 0.969108 0.916667 ] [ 0.302441 0.302441 0.25 ] [ 0.364226 0.333333 0.583333 ] [ 0.030892 0.666667 0.916667 ] [ 0.697559 0 0.25 ] [ 0.333333 0.969108 0.416667 ] [ 0 0.302441 0.75 ] [ 0.666667 0.635774 0.083333 ] [ 0.635774 0.666667 0.416667 ] [ 0.302441 1 0.75 ] [ 0.969108 0.333333 0.083333 ] [ 0.030892 0.364226 0.416667 ] [ 0.697559 0.697559 0.75 ] [ 0.364226 0.030892 0.083333 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "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" 6.80057547238 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }