{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.246659 0.491862 0.206153 ] [ 0.753341 0.991862 0.793847 ] [ 0.780148 0.763805 0.350888 ] [ 0.219852 0.263805 0.649112 ] [ 0.721613 0.734375 0.070832 ] [ 0.278387 0.234375 0.929168 ] [ 0.721991 0.259544 0.414555 ] [ 0.278009 0.759544 0.585445 ] [ 0.305818 0.251135 0.057734 ] [ 0.932978 0.736503 0.136147 ] [ 0.543979 0.717871 0.16314 ] [ 0.789965 0.095306 0.324878 ] [ 0.84215 0.428114 0.351707 ] [ 0.196779 0.73113 0.434806 ] [ 0.46554 0.288205 0.415007 ] [ 0.53446 0.788205 0.584993 ] [ 0.803221 0.23113 0.565194 ] [ 0.15785 0.928114 0.648293 ] [ 0.210035 0.595306 0.675122 ] [ 0.456021 0.217871 0.83686 ] [ 0.067022 0.236503 0.863853 ] [ 0.694182 0.751135 0.942266 ] ] } "species" { "source-value" [ "Na" "Na" "Bi" "Bi" "C" "C" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.72711645 "source-unit" "angstrom" } "b" { "source-value" 7.07063296 "source-unit" "angstrom" } "c" { "source-value" 9.42468687 "source-unit" "angstrom" } "beta" { "source-value" 90.52707748 "source-unit" "degree" } }