{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.647164 0.865728 0.329623 ] [ 0.852836 0.365728 0.170377 ] [ 0.352836 0.134272 0.670377 ] [ 0.147164 0.634272 0.829623 ] [ 0.292279 0.963766 0.26353 ] [ 0.207721 0.463766 0.23647 ] [ 0.707721 0.036234 0.73647 ] [ 0.792279 0.536234 0.76353 ] [ 0.766796 0.905587 0.048912 ] [ 0.733204 0.405587 0.451088 ] [ 0.233204 0.094413 0.951088 ] [ 0.266796 0.594413 0.548912 ] [ 0.113277 0.918912 0.841512 ] [ 0.386723 0.418912 0.658488 ] [ 0.886723 0.081088 0.158488 ] [ 0.613277 0.581088 0.341512 ] [ 0.936086 0.786394 0.400941 ] [ 0.563914 0.286394 0.099059 ] [ 0.063914 0.213606 0.599059 ] [ 0.436086 0.713606 0.900941 ] [ 0.552456 0.823713 0.556101 ] [ 0.947544 0.323713 0.943899 ] [ 0.447544 0.176287 0.443899 ] [ 0.052456 0.676287 0.056101 ] ] } "species" { "source-value" [ "Ge" "Ge" "Br" "Br" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13156806052 "source-unit" "angstrom" } "b" { "source-value" 14.12533137 "source-unit" "angstrom" } "c" { "source-value" 6.39026215179 "source-unit" "angstrom" } "beta" { "source-value" 110.66884582 "source-unit" "degree" } }