{ "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" [ [ 0.929111 0.707936 0.186684 ] [ 0.570889 0.207936 0.313316 ] [ 0.070889 0.292064 0.813316 ] [ 0.429111 0.792064 0.686684 ] [ 0.363385 0.521849 0.122138 ] [ 0.136615 0.021849 0.377862 ] [ 0.636615 0.478151 0.877862 ] [ 0.863385 0.978151 0.622138 ] [ 0.259055 0.96854 0.008051 ] [ 0.240945 0.46854 0.491949 ] [ 0.740945 0.03146 0.991949 ] [ 0.759055 0.53146 0.508051 ] [ 0.037522 0.678016 0.823441 ] [ 0.962478 0.321984 0.176559 ] [ 0.537522 0.821984 0.323441 ] [ 0.462478 0.178016 0.676559 ] [ 0.307427 0.075449 0.723776 ] [ 0.8813 0.779485 0.870306 ] [ 0.692573 0.924551 0.276224 ] [ 0.192573 0.575449 0.776224 ] [ 0.6187 0.279485 0.629694 ] [ 0.1187 0.220515 0.129694 ] [ 0.807427 0.424551 0.223776 ] [ 0.3813 0.720515 0.370306 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.7423681787 "source-unit" "angstrom" } "b" { "source-value" 7.98222791 "source-unit" "angstrom" } "c" { "source-value" 7.90943560509 "source-unit" "angstrom" } "beta" { "source-value" 111.203618079 "source-unit" "degree" } }