{ "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" [ [ 0.798811 0.860061 0.211155 ] [ 0.701189 0.360061 0.288845 ] [ 0.201189 0.139939 0.788845 ] [ 0.298811 0.639939 0.711155 ] [ 0.258656 0.588471 0.183949 ] [ 0.241344 0.088471 0.316051 ] [ 0.741344 0.411529 0.816051 ] [ 0.758656 0.911529 0.683949 ] [ 0.102677 0.588246 0.304602 ] [ 0.397323 0.088246 0.195398 ] [ 0.897323 0.411754 0.695398 ] [ 0.602677 0.911754 0.804602 ] [ 0.247166 0.698868 0.088348 ] [ 0.252834 0.198868 0.411652 ] [ 0.752834 0.301132 0.911652 ] [ 0.747166 0.801132 0.588348 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "N" "N" "N" "N" "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" 4.51258916435 "source-unit" "angstrom" } "b" { "source-value" 9.8090403 "source-unit" "angstrom" } "c" { "source-value" 7.15692335387 "source-unit" "angstrom" } "beta" { "source-value" 108.186923499 "source-unit" "degree" } }