{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.020123 0.438109 0.75087 ] [ 0.520123 0.061891 0.25087 ] [ 0.979877 0.561891 0.24913 ] [ 0.479877 0.938109 0.74913 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.277239 0.190392 0.964961 ] [ 0.722761 0.809608 0.035039 ] [ 0.565633 0.504271 0.734751 ] [ 0.222761 0.690392 0.535039 ] [ 0.434367 0.495729 0.265249 ] [ 0.934367 0.004271 0.765249 ] [ 0.68907 0.77717 0.471312 ] [ 0.18907 0.72283 0.971312 ] [ 0.31093 0.22283 0.528688 ] [ 0.81093 0.27717 0.028688 ] [ 0.065633 0.995729 0.234751 ] [ 0.777239 0.309608 0.464961 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Re" "Re" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.05091315281 "source-unit" "angstrom" } "b" { "source-value" 8.2347292 "source-unit" "angstrom" } "c" { "source-value" 11.4993399115 "source-unit" "angstrom" } "beta" { "source-value" 90.1335753958 "source-unit" "degree" } }