{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.766666 0.349243 0.340544 ] [ 0.733334 0.849243 0.159456 ] [ 0.74826 0.991195 0.700019 ] [ 0.75174 0.491195 0.799981 ] [ 0.25174 0.008805 0.299981 ] [ 0.24826 0.508805 0.200019 ] [ 0.266666 0.150757 0.840544 ] [ 0.233334 0.650757 0.659456 ] ] } "species" { "source-value" [ "Xe" "Xe" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.27337584762 "source-unit" "angstrom" } "b" { "source-value" 5.98961592 "source-unit" "angstrom" } "c" { "source-value" 5.98811098283 "source-unit" "angstrom" } "beta" { "source-value" 99.8430847743 "source-unit" "degree" } }