{ "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 0 0.666396 ] [ 0.666667 0.333333 0.99973 ] [ 0.333333 0.666667 0.333063 ] [ 0 0 0.333604 ] [ 0.666667 0.333333 0.666937 ] [ 0.333333 0.666667 0.00027 ] [ 0 0 0.944593 ] [ 0.666667 0.333333 0.277926 ] [ 0.333333 0.666667 0.611259 ] [ 0 0 0.055407 ] [ 0.666667 0.333333 0.388741 ] [ 0.333333 0.666667 0.722074 ] [ 0.040006 0.70603 0.412271 ] [ 0.706672 0.039363 0.745604 ] [ 0.373339 0.372697 0.078938 ] [ 0.666024 0.959994 0.412271 ] [ 0.332691 0.293328 0.745604 ] [ 0.999358 0.626661 0.078938 ] [ 0.29397 0.333976 0.412271 ] [ 0.960637 0.667309 0.745604 ] [ 0.627303 0.000642 0.078938 ] [ 0.959994 0.29397 0.587729 ] [ 0.626661 0.627303 0.921062 ] [ 0.293328 0.960637 0.254396 ] [ 0.333976 0.040006 0.587729 ] [ 0.000642 0.373339 0.921062 ] [ 0.667309 0.706672 0.254396 ] [ 0.70603 0.666024 0.587729 ] [ 0.372697 0.999358 0.921062 ] [ 0.039363 0.332691 0.254396 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91291654251 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }