{ "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" [ [ 0.761996 0.877167 0.103144 ] [ 0.253835 0.48541 0.172159 ] [ 0.246165 0.98541 0.327841 ] [ 0.753835 0.01459 0.672159 ] [ 0.261996 0.622833 0.603144 ] [ 0.746165 0.51459 0.827841 ] [ 0.738004 0.377167 0.396856 ] [ 0.238004 0.122833 0.896856 ] [ 0.749208 0.773829 0.423264 ] [ 0.250792 0.226171 0.576736 ] [ 0.249208 0.726171 0.923264 ] [ 0.750792 0.273829 0.076736 ] [ 0.241337 0.48259 0.916151 ] [ 0.258663 0.98259 0.583849 ] [ 0.298927 0.820283 0.085921 ] [ 0.201073 0.320283 0.414079 ] [ 0.978391 0.822123 0.865155 ] [ 0.478391 0.677877 0.365155 ] [ 0.758663 0.51741 0.083849 ] [ 0.741337 0.01741 0.416151 ] [ 0.021609 0.177877 0.134845 ] [ 0.798927 0.679717 0.585921 ] [ 0.978692 0.695464 0.317304 ] [ 0.521609 0.322123 0.634845 ] [ 0.521308 0.195464 0.182696 ] [ 0.701073 0.179717 0.914079 ] [ 0.021308 0.304536 0.682696 ] [ 0.478692 0.804536 0.817304 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.78697986038 "source-unit" "angstrom" } "b" { "source-value" 9.92611177 "source-unit" "angstrom" } "c" { "source-value" 13.700251127 "source-unit" "angstrom" } "beta" { "source-value" 90.255160722 "source-unit" "degree" } }