{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.858131 ] [ 0.666667 0.333333 0.191464 ] [ 0.333333 0.666667 0.524798 ] [ 0 0 0.141869 ] [ 0.666667 0.333333 0.475202 ] [ 0.333333 0.666667 0.808536 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0.667305 ] [ 0.666667 0.333333 0.000639 ] [ 0.333333 0.666667 0.333972 ] [ 0 0 0.332695 ] [ 0.666667 0.333333 0.666028 ] [ 0.333333 0.666667 0.999361 ] [ 0.332098 0.166049 0.585521 ] [ 0.998765 0.499382 0.918855 ] [ 0.665431 0.832716 0.252188 ] [ 0.833951 0.667902 0.585521 ] [ 0.500618 0.001235 0.918855 ] [ 0.167284 0.334569 0.252188 ] [ 0.833951 0.166049 0.585521 ] [ 0.500618 0.499382 0.918855 ] [ 0.167284 0.832716 0.252188 ] [ 0.166049 0.833951 0.414479 ] [ 0.832716 0.167284 0.747812 ] [ 0.499382 0.500618 0.081145 ] [ 0.667902 0.833951 0.414479 ] [ 0.334569 0.167284 0.747812 ] [ 0.001235 0.500618 0.081145 ] [ 0.166049 0.332098 0.414479 ] [ 0.832716 0.665431 0.747812 ] [ 0.499382 0.998765 0.081145 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11201369874 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }