{ "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" [ [ 0.299652 0.966319 0.583333 ] [ 0.966319 0.299652 0.916667 ] [ 0.632985 0.632985 0.25 ] [ 0.700348 0.033681 0.416667 ] [ 0.367015 0.367015 0.75 ] [ 0.033681 0.700348 0.083333 ] [ 0.666667 0.700348 0.583333 ] [ 0.333333 0.033681 0.916667 ] [ 0 0.367015 0.25 ] [ 0.033681 0.333333 0.583333 ] [ 0.700348 0.666667 0.916667 ] [ 0.367015 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.083333 ] [ 0.333333 0.666667 0.416667 ] [ 0.966319 0.666667 0.416667 ] [ 0.632985 0 0.75 ] [ 0.299652 0.333333 0.083333 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.583333 ] [ 0.333333 0.666667 0.916667 ] [ 0.333333 0.299652 0.416667 ] [ 0 0.632985 0.75 ] [ 0.666667 0.966319 0.083333 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.842813 0.028453 0.599758 ] [ 0.50948 0.361786 0.933091 ] [ 0.176147 0.69512 0.266424 ] [ 0.971547 0.81436 0.599758 ] [ 0.638214 0.147694 0.933091 ] [ 0.30488 0.481027 0.266424 ] [ 0.50948 0.147694 0.433091 ] [ 0.176147 0.481027 0.766424 ] [ 0.842813 0.81436 0.099758 ] [ 0.157187 0.971547 0.400242 ] [ 0.823853 0.30488 0.733576 ] [ 0.49052 0.638214 0.066909 ] [ 0.81436 0.842813 0.400242 ] [ 0.481027 0.176147 0.733576 ] [ 0.147694 0.50948 0.066909 ] [ 0.49052 0.852306 0.566909 ] [ 0.157187 0.18564 0.900242 ] [ 0.823853 0.518973 0.233576 ] [ 0.18564 0.157187 0.599758 ] [ 0.852306 0.49052 0.933091 ] [ 0.518973 0.823853 0.266424 ] [ 0.147694 0.638214 0.566909 ] [ 0.81436 0.971547 0.900242 ] [ 0.481027 0.30488 0.233576 ] [ 0.638214 0.49052 0.433091 ] [ 0.30488 0.823853 0.766424 ] [ 0.971547 0.157187 0.099758 ] [ 0.361786 0.50948 0.566909 ] [ 0.028453 0.842813 0.900242 ] [ 0.69512 0.176147 0.233576 ] [ 0.028453 0.18564 0.400242 ] [ 0.69512 0.518973 0.733576 ] [ 0.361786 0.852306 0.066909 ] [ 0.852306 0.361786 0.433091 ] [ 0.518973 0.69512 0.766424 ] [ 0.18564 0.028453 0.099758 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.82636378823 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }