{ "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 0 0.71343 ] [ 0.666667 0.333333 0.046764 ] [ 0.333333 0.666667 0.380097 ] [ 0 0 0.249807 ] [ 0.666667 0.333333 0.58314 ] [ 0.333333 0.666667 0.916474 ] [ 0 0 0.798975 ] [ 0.666667 0.333333 0.132308 ] [ 0.333333 0.666667 0.465642 ] [ 0 0 0.540662 ] [ 0.666667 0.333333 0.873995 ] [ 0.333333 0.666667 0.207329 ] [ 0 0 0.000126 ] [ 0.666667 0.333333 0.333459 ] [ 0.333333 0.666667 0.666793 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "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" 4.16177212921 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }