{ "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" [ [ 0.32366 0.97425 0.235238 ] [ 0.511763 0.666178 0.548446 ] [ 0.82366 0.52575 0.235238 ] [ 0.67634 0.02575 0.764762 ] [ 0.988237 0.166178 0.451554 ] [ 0.17634 0.47425 0.764762 ] [ 0.488237 0.333822 0.451554 ] [ 0.011763 0.833822 0.548446 ] [ 0.869055 0.334031 0.043043 ] [ 0.369055 0.165969 0.043043 ] [ 0.130945 0.665969 0.956957 ] [ 0.630945 0.834031 0.956957 ] [ 0.46378 0.144288 0.406603 ] [ 0.96378 0.355712 0.406603 ] [ 0.03622 0.644288 0.593397 ] [ 0.32253 0.554084 0.197118 ] [ 0.751784 0.182568 0.981307 ] [ 0.251784 0.317432 0.981307 ] [ 0.82253 0.945916 0.197118 ] [ 0.67747 0.445916 0.802882 ] [ 0.748216 0.682568 0.018693 ] [ 0.53622 0.855712 0.593397 ] [ 0.17747 0.054084 0.802882 ] [ 0.248216 0.817432 0.018693 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25308115846 "source-unit" "angstrom" } "b" { "source-value" 16.53820183 "source-unit" "angstrom" } "c" { "source-value" 7.35229897144 "source-unit" "angstrom" } "beta" { "source-value" 112.723174601 "source-unit" "degree" } }