{ "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 0 ] [ 0 0.5 0 ] [ 0.050186 0.064799 0.327621 ] [ 0.050186 0.435201 0.327621 ] [ 0.949814 0.564799 0.672379 ] [ 0.949814 0.935201 0.672379 ] [ 0.478232 0.25 0.138284 ] [ 0.584233 0.25 0.55183 ] [ 0.415767 0.75 0.44817 ] [ 0.521768 0.75 0.861716 ] [ 0.675258 0.75 0.175758 ] [ 0.324742 0.25 0.824242 ] [ 0.149962 0.404007 0.81666 ] [ 0.211521 0.75 0.755857 ] [ 0.526749 0.25 0.714237 ] [ 0.149962 0.095993 0.81666 ] [ 0.850038 0.904007 0.18334 ] [ 0.850038 0.595993 0.18334 ] [ 0.788479 0.25 0.244143 ] [ 0.751917 0.402868 0.538072 ] [ 0.751917 0.097132 0.538072 ] [ 0.718116 0.75 0.558575 ] [ 0.434046 0.75 0.023273 ] [ 0.248083 0.902868 0.461928 ] [ 0.687211 0.596684 0.853181 ] [ 0.473251 0.75 0.285763 ] [ 0.687211 0.903316 0.853181 ] [ 0.312789 0.403316 0.146819 ] [ 0.312789 0.096684 0.146819 ] [ 0.565954 0.25 0.976727 ] [ 0.281884 0.25 0.441425 ] [ 0.248083 0.597132 0.461928 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" "O" "O" "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" 4.73533913106 "source-unit" "angstrom" } "b" { "source-value" 8.32275986 "source-unit" "angstrom" } "c" { "source-value" 9.43883039222 "source-unit" "angstrom" } "beta" { "source-value" 104.037971181 "source-unit" "degree" } }