{ "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" [ [ 0.779115 0.25 0.088936 ] [ 0.251935 0.00692 0.249914 ] [ 0.251935 0.49308 0.249914 ] [ 0.748065 0.50692 0.750086 ] [ 0.748065 0.99308 0.750086 ] [ 0.220885 0.75 0.911064 ] [ 0.716565 0.25 0.406745 ] [ 0.283435 0.75 0.593255 ] [ 0.766196 0.75 0.366207 ] [ 0.233804 0.25 0.633793 ] [ 0.725245 0.75 0.049611 ] [ 0.274755 0.25 0.950389 ] [ 0.258821 0.25 0.087183 ] [ 0.942691 0.75 0.125758 ] [ 0.499767 0.75 0.108914 ] [ 0.809157 0.063553 0.317159 ] [ 0.809157 0.436447 0.317159 ] [ 0.392722 0.25 0.418332 ] [ 0.157938 0.75 0.427726 ] [ 0.842062 0.25 0.572274 ] [ 0.607278 0.75 0.581668 ] [ 0.190843 0.563553 0.682841 ] [ 0.190843 0.936447 0.682841 ] [ 0.500233 0.25 0.891086 ] [ 0.057309 0.25 0.874242 ] [ 0.741179 0.75 0.912817 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Sb" "Sb" "C" "C" "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" 5.12207125 "source-unit" "angstrom" } "b" { "source-value" 7.07227964 "source-unit" "angstrom" } "c" { "source-value" 9.48864777 "source-unit" "angstrom" } "beta" { "source-value" 91.04451389 "source-unit" "degree" } }