{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.759109 0 0.240287 ] [ 0 0.188454 0 ] [ 0.5 0.189798 0.5 ] [ 0.240891 0 0.759713 ] [ 0.5 0.810202 0.5 ] [ 0 0.811546 0 ] [ 0.259109 0.5 0.240287 ] [ 0.5 0.688454 0 ] [ 0 0.689798 0.5 ] [ 0.740891 0.5 0.759713 ] [ 0 0.310202 0.5 ] [ 0.5 0.311546 0 ] [ 0.268845 0 0.269104 ] [ 0.731155 0 0.730896 ] [ 0.768845 0.5 0.269104 ] [ 0.231155 0.5 0.730896 ] [ 0.078321 0.871491 0.418187 ] [ 0.581573 0.129067 0.92177 ] [ 0.921679 0.871491 0.581813 ] [ 0.921679 0.128509 0.581813 ] [ 0.418427 0.870933 0.07823 ] [ 0.418427 0.129067 0.07823 ] [ 0.581573 0.870933 0.92177 ] [ 0.078321 0.128509 0.418187 ] [ 0.578321 0.371491 0.418187 ] [ 0.081573 0.629067 0.92177 ] [ 0.421679 0.371491 0.581813 ] [ 0.421679 0.628509 0.581813 ] [ 0.918427 0.370933 0.07823 ] [ 0.918427 0.629067 0.07823 ] [ 0.081573 0.370933 0.92177 ] [ 0.578321 0.628509 0.418187 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Rh" "Rh" "Rh" "Rh" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.62863617282 "source-unit" "angstrom" } "b" { "source-value" 12.3216035197 "source-unit" "angstrom" } "c" { "source-value" 5.62866066316 "source-unit" "angstrom" } "beta" { "source-value" 105.720047564 "source-unit" "degree" } }