{ "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" [ [ 0.5 0.5 0.5 ] [ 0.728434 0.948653 0.737912 ] [ 0.271566 0.448653 0.762088 ] [ 0.5 0 0 ] [ 0.728434 0.551347 0.237912 ] [ 0.271566 0.051347 0.262088 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.104211 0.424557 0.235575 ] [ 0.747323 0.197635 0.916497 ] [ 0.370286 0.177997 0.556836 ] [ 0.629714 0.677997 0.943164 ] [ 0.252677 0.697635 0.583503 ] [ 0.895789 0.924557 0.264425 ] [ 0.104211 0.075443 0.735575 ] [ 0.747323 0.302365 0.416497 ] [ 0.370286 0.322003 0.056836 ] [ 0.629714 0.822003 0.443164 ] [ 0.252677 0.802365 0.083503 ] [ 0.895789 0.575443 0.764425 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "W" "W" "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" 5.16964976 "source-unit" "angstrom" } "b" { "source-value" 5.35952403 "source-unit" "angstrom" } "c" { "source-value" 9.25799158 "source-unit" "angstrom" } "beta" { "source-value" 123.70506561 "source-unit" "degree" } }