{ "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" [ [ 0.383692 0.376572 0.65794 ] [ 0.616308 0.623428 0.34206 ] [ 0.116308 0.876572 0.84206 ] [ 0.883692 0.123428 0.15794 ] [ 0.529161 0.971996 0.89119 ] [ 0.470839 0.028004 0.10881 ] [ 0.970839 0.471996 0.60881 ] [ 0.029161 0.528004 0.39119 ] [ 0.377072 0.478987 0.291067 ] [ 0.877072 0.021013 0.791067 ] [ 0.283533 0.345861 0.847303 ] [ 0.622928 0.521013 0.708933 ] [ 0.122928 0.978987 0.208933 ] [ 0.579322 0.802271 0.445997 ] [ 0.216467 0.845861 0.652697 ] [ 0.920678 0.302271 0.054003 ] [ 0.716467 0.654139 0.152697 ] [ 0.783533 0.154139 0.347303 ] [ 0.420678 0.197729 0.554003 ] [ 0.079322 0.697729 0.945997 ] [ 0.855189 0.541706 0.454038 ] [ 0.355189 0.958294 0.954038 ] [ 0.644811 0.041706 0.045962 ] [ 0.144811 0.458294 0.545962 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "S" "S" "S" "S" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 7.55275305151 "source-unit" "angstrom" } "b" { "source-value" 10.84219617 "source-unit" "angstrom" } "c" { "source-value" 10.129654708 "source-unit" "angstrom" } "beta" { "source-value" 111.112477684 "source-unit" "degree" } }