{ "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" [ [ 0.333333 0.666667 0.878056 ] [ 0.666667 0.333333 0.121944 ] [ 0 0 0.21139 ] [ 0.333333 0.666667 0.455277 ] [ 0.666667 0.333333 0.544723 ] [ 0 0 0.78861 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.333333 0.666667 0.069457 ] [ 0.666667 0.333333 0.930543 ] [ 0 0 0.402791 ] [ 0.333333 0.666667 0.263876 ] [ 0.666667 0.333333 0.736124 ] [ 0 0 0.597209 ] [ 0.378416 0.189208 0.929179 ] [ 0.810792 0.189208 0.929179 ] [ 0.810792 0.621584 0.929179 ] [ 0.189208 0.378416 0.070821 ] [ 0.189208 0.810792 0.070821 ] [ 0.621584 0.810792 0.070821 ] [ 0.045083 0.522541 0.262512 ] [ 0.477459 0.522541 0.262512 ] [ 0.477459 0.954917 0.262512 ] [ 0.855875 0.711749 0.404155 ] [ 0.855875 0.144125 0.404155 ] [ 0.288251 0.144125 0.404155 ] [ 0.711749 0.855875 0.595845 ] [ 0.144125 0.855875 0.595845 ] [ 0.144125 0.288251 0.595845 ] [ 0.522541 0.045083 0.737488 ] [ 0.522541 0.477459 0.737488 ] [ 0.954917 0.477459 0.737488 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Mg" "Mg" "Mg" "C" "C" "C" "C" "C" "C" "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" 5.21356033 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }