{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0 ] [ 0.377213 0.75 0.255606 ] [ 0.622787 0.25 0.744394 ] [ 0.167092 0.75 0.774198 ] [ 0.832908 0.25 0.225802 ] [ 0.557037 0.75 0.714124 ] [ 0.442963 0.25 0.285876 ] [ 0.847973 0.75 0.300208 ] [ 0.152027 0.25 0.699792 ] [ 0.131281 0.75 0.007411 ] [ 0.868719 0.25 0.992589 ] [ 0.310654 0.070941 0.240784 ] [ 0.689346 0.570941 0.759216 ] [ 0.689346 0.929059 0.759216 ] [ 0.310654 0.429059 0.240784 ] [ 0.109153 0.070143 0.786199 ] [ 0.890847 0.570143 0.213801 ] [ 0.890847 0.929857 0.213801 ] [ 0.109153 0.429857 0.786199 ] [ 0.548055 0.25 0.168712 ] [ 0.451945 0.75 0.831288 ] [ 0.594577 0.25 0.485662 ] [ 0.405423 0.75 0.514338 ] [ 0.025954 0.25 0.495859 ] [ 0.974046 0.75 0.504141 ] [ 0.635606 0.75 0.255946 ] [ 0.364394 0.25 0.744054 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "O" "O" "O" "O" "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" 7.53965912686 "source-unit" "angstrom" } "b" { "source-value" 6.72015117 "source-unit" "angstrom" } "c" { "source-value" 8.0349170023 "source-unit" "angstrom" } "beta" { "source-value" 117.522247642 "source-unit" "degree" } }